USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot -140:sc= -1.44 USER MOD Set 1.2: A 21 MET CE :methyl -165:sc= -4.9! (180deg=-5.78!) USER MOD Set 2.1: A 14 ASN : amide:sc= -1.67 K(o=-1.3,f=-7.2!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -151:sc= 0.404 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.13) USER MOD Single : A 4 SER OG : rot 110:sc= -0.0453 USER MOD Single : A 15 THR OG1 : rot 68:sc= -0.144 USER MOD Single : A 22 MET CE :methyl -168:sc= -3.53! (180deg=-4.05) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 89:sc= 1.07 USER MOD Single : A 28 SER OG : rot 180:sc= -0.277 USER MOD Single : A 30 THR OG1 : rot 34:sc= 0.242 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -140:sc= -7.54! (180deg=-16.6!) USER MOD Single : A 44 GLN : amide:sc= 0.0375 X(o=0.037,f=0) USER MOD Single : A 46 ASN : amide:sc= -8.48! C(o=-8.5!,f=-6.5!) USER MOD Single : A 47 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.34) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.179 (180deg=-0.881) USER MOD Single : A 53 THR OG1 : rot -130:sc= -0.677 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.2! USER MOD Single : A 56 MET CE :methyl -150:sc= -3.81! (180deg=-4.77!) USER MOD Single : A 59 MET CE :methyl 169:sc= -5.19! (180deg=-5.57!) USER MOD Single : A 63 TYR OH : rot 165:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.139 0.437 -4.961 1.00 41.34 N ATOM 33 CA GLN A 2 -1.652 1.520 -5.783 1.00 44.51 C ATOM 34 C GLN A 2 -2.398 0.960 -6.995 1.00 63.35 C ATOM 35 O GLN A 2 -1.882 0.093 -7.700 1.00 42.40 O ATOM 36 CB GLN A 2 -0.525 2.459 -6.219 1.00 24.12 C ATOM 37 CG GLN A 2 0.496 1.723 -7.090 1.00 11.05 C ATOM 38 CD GLN A 2 0.614 2.377 -8.468 1.00 11.24 C ATOM 39 OE1 GLN A 2 1.693 2.559 -9.007 1.00 22.32 O ATOM 40 NE2 GLN A 2 -0.553 2.720 -9.006 1.00 32.15 N ATOM 0 HA GLN A 2 -2.354 2.101 -5.186 1.00 44.51 H new ATOM 0 HB2 GLN A 2 -0.942 3.300 -6.773 1.00 24.12 H new ATOM 0 HB3 GLN A 2 -0.029 2.870 -5.340 1.00 24.12 H new ATOM 0 HG2 GLN A 2 1.468 1.726 -6.598 1.00 11.05 H new ATOM 0 HG3 GLN A 2 0.199 0.680 -7.203 1.00 11.05 H new ATOM 0 HE21 GLN A 2 -1.420 2.539 -8.501 1.00 32.15 H new ATOM 0 HE22 GLN A 2 -0.581 3.164 -9.924 1.00 32.15 H new ATOM 49 N GLU A 3 -3.600 1.477 -7.201 1.00 71.34 N ATOM 50 CA GLU A 3 -4.422 1.038 -8.316 1.00 53.44 C ATOM 51 C GLU A 3 -3.791 1.468 -9.642 1.00 54.43 C ATOM 52 O GLU A 3 -3.412 2.627 -9.806 1.00 71.15 O ATOM 53 CB GLU A 3 -5.850 1.574 -8.189 1.00 44.31 C ATOM 54 CG GLU A 3 -6.754 0.563 -7.482 1.00 30.20 C ATOM 55 CD GLU A 3 -8.178 1.104 -7.343 1.00 13.21 C ATOM 56 OE1 GLU A 3 -9.073 0.695 -8.097 1.00 54.13 O ATOM 57 OE2 GLU A 3 -8.340 1.980 -6.410 1.00 41.51 O ATOM 0 H GLU A 3 -4.025 2.196 -6.615 1.00 71.34 H new ATOM 0 HA GLU A 3 -4.475 -0.051 -8.297 1.00 53.44 H new ATOM 0 HB2 GLU A 3 -5.842 2.511 -7.633 1.00 44.31 H new ATOM 0 HB3 GLU A 3 -6.249 1.794 -9.179 1.00 44.31 H new ATOM 0 HG2 GLU A 3 -6.769 -0.371 -8.043 1.00 30.20 H new ATOM 0 HG3 GLU A 3 -6.350 0.336 -6.496 1.00 30.20 H new ATOM 65 N SER A 4 -3.699 0.512 -10.555 1.00 23.05 N ATOM 66 CA SER A 4 -3.120 0.777 -11.861 1.00 14.31 C ATOM 67 C SER A 4 -4.177 0.584 -12.950 1.00 72.51 C ATOM 68 O SER A 4 -5.039 -0.287 -12.836 1.00 63.15 O ATOM 69 CB SER A 4 -1.915 -0.128 -12.124 1.00 12.23 C ATOM 70 OG SER A 4 -1.278 -0.533 -10.915 1.00 35.40 O ATOM 0 H SER A 4 -4.016 -0.447 -10.416 1.00 23.05 H new ATOM 0 HA SER A 4 -2.774 1.810 -11.878 1.00 14.31 H new ATOM 0 HB2 SER A 4 -2.238 -1.010 -12.677 1.00 12.23 H new ATOM 0 HB3 SER A 4 -1.197 0.398 -12.754 1.00 12.23 H new ATOM 0 HG SER A 4 -1.437 -1.488 -10.766 1.00 35.40 H new ATOM 76 N VAL A 5 -4.077 1.410 -13.981 1.00 65.41 N ATOM 77 CA VAL A 5 -5.013 1.340 -15.090 1.00 10.10 C ATOM 78 C VAL A 5 -5.021 -0.081 -15.657 1.00 32.03 C ATOM 79 O VAL A 5 -3.966 -0.684 -15.845 1.00 42.15 O ATOM 80 CB VAL A 5 -4.663 2.399 -16.137 1.00 55.42 C ATOM 81 CG1 VAL A 5 -5.489 2.205 -17.410 1.00 72.15 C ATOM 82 CG2 VAL A 5 -4.849 3.810 -15.574 1.00 23.35 C ATOM 0 H VAL A 5 -3.362 2.132 -14.072 1.00 65.41 H new ATOM 0 HA VAL A 5 -6.025 1.560 -14.750 1.00 10.10 H new ATOM 0 HB VAL A 5 -3.611 2.278 -16.397 1.00 55.42 H new ATOM 0 HG11 VAL A 5 -5.221 2.971 -18.138 1.00 72.15 H new ATOM 0 HG12 VAL A 5 -5.286 1.219 -17.829 1.00 72.15 H new ATOM 0 HG13 VAL A 5 -6.549 2.287 -17.172 1.00 72.15 H new ATOM 0 HG21 VAL A 5 -4.593 4.543 -16.339 1.00 23.35 H new ATOM 0 HG22 VAL A 5 -5.887 3.947 -15.272 1.00 23.35 H new ATOM 0 HG23 VAL A 5 -4.199 3.945 -14.710 1.00 23.35 H new ATOM 92 N VAL A 6 -6.224 -0.575 -15.912 1.00 43.03 N ATOM 93 CA VAL A 6 -6.383 -1.914 -16.454 1.00 12.14 C ATOM 94 C VAL A 6 -7.445 -1.891 -17.555 1.00 13.03 C ATOM 95 O VAL A 6 -8.592 -1.522 -17.308 1.00 54.21 O ATOM 96 CB VAL A 6 -6.710 -2.898 -15.328 1.00 42.14 C ATOM 97 CG1 VAL A 6 -7.071 -4.274 -15.891 1.00 51.01 C ATOM 98 CG2 VAL A 6 -5.551 -2.999 -14.335 1.00 2.22 C ATOM 0 H VAL A 6 -7.097 -0.072 -15.753 1.00 43.03 H new ATOM 0 HA VAL A 6 -5.453 -2.256 -16.907 1.00 12.14 H new ATOM 0 HB VAL A 6 -7.579 -2.517 -14.791 1.00 42.14 H new ATOM 0 HG11 VAL A 6 -7.299 -4.954 -15.071 1.00 51.01 H new ATOM 0 HG12 VAL A 6 -7.942 -4.184 -16.541 1.00 51.01 H new ATOM 0 HG13 VAL A 6 -6.230 -4.665 -16.464 1.00 51.01 H new ATOM 0 HG21 VAL A 6 -5.809 -3.704 -13.545 1.00 2.22 H new ATOM 0 HG22 VAL A 6 -4.657 -3.346 -14.853 1.00 2.22 H new ATOM 0 HG23 VAL A 6 -5.360 -2.019 -13.898 1.00 2.22 H new ATOM 108 N ALA A 7 -7.025 -2.290 -18.746 1.00 73.22 N ATOM 109 CA ALA A 7 -7.926 -2.320 -19.886 1.00 31.11 C ATOM 110 C ALA A 7 -9.192 -3.092 -19.510 1.00 34.14 C ATOM 111 O ALA A 7 -9.204 -4.322 -19.534 1.00 12.12 O ATOM 112 CB ALA A 7 -7.207 -2.932 -21.090 1.00 5.33 C ATOM 0 H ALA A 7 -6.073 -2.595 -18.947 1.00 73.22 H new ATOM 0 HA ALA A 7 -8.226 -1.310 -20.164 1.00 31.11 H new ATOM 0 HB1 ALA A 7 -7.883 -2.954 -21.945 1.00 5.33 H new ATOM 0 HB2 ALA A 7 -6.332 -2.331 -21.335 1.00 5.33 H new ATOM 0 HB3 ALA A 7 -6.893 -3.948 -20.849 1.00 5.33 H new ATOM 118 N ALA A 8 -10.228 -2.338 -19.170 1.00 63.34 N ATOM 119 CA ALA A 8 -11.496 -2.936 -18.789 1.00 70.34 C ATOM 120 C ALA A 8 -12.067 -3.711 -19.979 1.00 15.32 C ATOM 121 O ALA A 8 -12.999 -4.498 -19.822 1.00 32.25 O ATOM 122 CB ALA A 8 -12.447 -1.845 -18.293 1.00 44.13 C ATOM 0 H ALA A 8 -10.215 -1.318 -19.151 1.00 63.34 H new ATOM 0 HA ALA A 8 -11.357 -3.643 -17.971 1.00 70.34 H new ATOM 0 HB1 ALA A 8 -13.398 -2.294 -18.007 1.00 44.13 H new ATOM 0 HB2 ALA A 8 -12.008 -1.345 -17.430 1.00 44.13 H new ATOM 0 HB3 ALA A 8 -12.613 -1.118 -19.088 1.00 44.13 H new ATOM 128 N VAL A 9 -11.485 -3.460 -21.142 1.00 50.01 N ATOM 129 CA VAL A 9 -11.925 -4.124 -22.358 1.00 4.14 C ATOM 130 C VAL A 9 -10.752 -4.216 -23.336 1.00 22.11 C ATOM 131 O VAL A 9 -9.711 -3.595 -23.124 1.00 34.25 O ATOM 132 CB VAL A 9 -13.136 -3.395 -22.943 1.00 63.03 C ATOM 133 CG1 VAL A 9 -14.359 -3.549 -22.038 1.00 32.43 C ATOM 134 CG2 VAL A 9 -12.820 -1.919 -23.191 1.00 41.35 C ATOM 0 H VAL A 9 -10.712 -2.806 -21.269 1.00 50.01 H new ATOM 0 HA VAL A 9 -12.249 -5.142 -22.142 1.00 4.14 H new ATOM 0 HB VAL A 9 -13.371 -3.854 -23.904 1.00 63.03 H new ATOM 0 HG11 VAL A 9 -15.206 -3.021 -22.477 1.00 32.43 H new ATOM 0 HG12 VAL A 9 -14.604 -4.606 -21.935 1.00 32.43 H new ATOM 0 HG13 VAL A 9 -14.140 -3.130 -21.056 1.00 32.43 H new ATOM 0 HG21 VAL A 9 -13.698 -1.424 -23.607 1.00 41.35 H new ATOM 0 HG22 VAL A 9 -12.547 -1.442 -22.250 1.00 41.35 H new ATOM 0 HG23 VAL A 9 -11.990 -1.838 -23.893 1.00 41.35 H new ATOM 144 N LEU A 10 -10.959 -4.996 -24.387 1.00 12.04 N ATOM 145 CA LEU A 10 -9.932 -5.178 -25.398 1.00 50.53 C ATOM 146 C LEU A 10 -9.666 -3.841 -26.094 1.00 62.21 C ATOM 147 O LEU A 10 -10.438 -3.420 -26.954 1.00 71.40 O ATOM 148 CB LEU A 10 -10.319 -6.304 -26.358 1.00 64.51 C ATOM 149 CG LEU A 10 -9.488 -6.409 -27.639 1.00 54.22 C ATOM 150 CD1 LEU A 10 -8.280 -7.325 -27.436 1.00 50.23 C ATOM 151 CD2 LEU A 10 -10.354 -6.855 -28.819 1.00 34.11 C ATOM 0 H LEU A 10 -11.823 -5.509 -24.560 1.00 12.04 H new ATOM 0 HA LEU A 10 -8.995 -5.491 -24.938 1.00 50.53 H new ATOM 0 HB2 LEU A 10 -10.247 -7.251 -25.823 1.00 64.51 H new ATOM 0 HB3 LEU A 10 -11.365 -6.174 -26.637 1.00 64.51 H new ATOM 0 HG LEU A 10 -9.103 -5.418 -27.878 1.00 54.22 H new ATOM 0 HD11 LEU A 10 -7.707 -7.382 -28.361 1.00 50.23 H new ATOM 0 HD12 LEU A 10 -7.649 -6.925 -26.642 1.00 50.23 H new ATOM 0 HD13 LEU A 10 -8.622 -8.322 -27.159 1.00 50.23 H new ATOM 0 HD21 LEU A 10 -9.739 -6.922 -29.717 1.00 34.11 H new ATOM 0 HD22 LEU A 10 -10.788 -7.831 -28.603 1.00 34.11 H new ATOM 0 HD23 LEU A 10 -11.152 -6.130 -28.979 1.00 34.11 H new ATOM 163 N ILE A 11 -8.570 -3.211 -25.696 1.00 73.23 N ATOM 164 CA ILE A 11 -8.193 -1.931 -26.271 1.00 23.10 C ATOM 165 C ILE A 11 -7.164 -2.159 -27.380 1.00 44.31 C ATOM 166 O ILE A 11 -6.025 -2.537 -27.108 1.00 14.03 O ATOM 167 CB ILE A 11 -7.717 -0.972 -25.178 1.00 24.54 C ATOM 168 CG1 ILE A 11 -8.387 -1.291 -23.840 1.00 1.35 C ATOM 169 CG2 ILE A 11 -7.931 0.484 -25.594 1.00 51.02 C ATOM 170 CD1 ILE A 11 -8.386 -0.067 -22.921 1.00 40.01 C ATOM 0 H ILE A 11 -7.932 -3.563 -24.983 1.00 73.23 H new ATOM 0 HA ILE A 11 -9.057 -1.450 -26.730 1.00 23.10 H new ATOM 0 HB ILE A 11 -6.645 -1.113 -25.043 1.00 24.54 H new ATOM 0 HG12 ILE A 11 -9.412 -1.621 -24.012 1.00 1.35 H new ATOM 0 HG13 ILE A 11 -7.864 -2.115 -23.355 1.00 1.35 H new ATOM 0 HG21 ILE A 11 -7.584 1.144 -24.799 1.00 51.02 H new ATOM 0 HG22 ILE A 11 -7.370 0.688 -26.506 1.00 51.02 H new ATOM 0 HG23 ILE A 11 -8.992 0.659 -25.774 1.00 51.02 H new ATOM 0 HD11 ILE A 11 -8.868 -0.321 -21.977 1.00 40.01 H new ATOM 0 HD12 ILE A 11 -7.359 0.245 -22.732 1.00 40.01 H new ATOM 0 HD13 ILE A 11 -8.930 0.747 -23.399 1.00 40.01 H new ATOM 182 N PRO A 12 -7.612 -1.912 -28.640 1.00 35.20 N ATOM 183 CA PRO A 12 -6.744 -2.086 -29.791 1.00 64.34 C ATOM 184 C PRO A 12 -5.731 -0.944 -29.892 1.00 4.14 C ATOM 185 O PRO A 12 -5.804 0.023 -29.135 1.00 44.33 O ATOM 186 CB PRO A 12 -7.682 -2.155 -30.985 1.00 43.24 C ATOM 187 CG PRO A 12 -8.997 -1.554 -30.517 1.00 11.00 C ATOM 188 CD PRO A 12 -8.954 -1.463 -29.000 1.00 71.14 C ATOM 0 HA PRO A 12 -6.136 -2.989 -29.726 1.00 64.34 H new ATOM 0 HB2 PRO A 12 -7.278 -1.600 -31.832 1.00 43.24 H new ATOM 0 HB3 PRO A 12 -7.819 -3.185 -31.315 1.00 43.24 H new ATOM 0 HG2 PRO A 12 -9.143 -0.566 -30.955 1.00 11.00 H new ATOM 0 HG3 PRO A 12 -9.835 -2.172 -30.839 1.00 11.00 H new ATOM 0 HD2 PRO A 12 -9.135 -0.444 -28.659 1.00 71.14 H new ATOM 0 HD3 PRO A 12 -9.718 -2.092 -28.544 1.00 71.14 H new ATOM 196 N ILE A 13 -4.809 -1.094 -30.832 1.00 10.33 N ATOM 197 CA ILE A 13 -3.783 -0.087 -31.041 1.00 3.43 C ATOM 198 C ILE A 13 -4.426 1.182 -31.605 1.00 32.32 C ATOM 199 O ILE A 13 -5.477 1.119 -32.241 1.00 71.30 O ATOM 200 CB ILE A 13 -2.655 -0.644 -31.912 1.00 1.32 C ATOM 201 CG1 ILE A 13 -1.541 0.389 -32.094 1.00 11.55 C ATOM 202 CG2 ILE A 13 -3.195 -1.146 -33.252 1.00 62.42 C ATOM 203 CD1 ILE A 13 -0.248 -0.276 -32.569 1.00 30.23 C ATOM 0 H ILE A 13 -4.751 -1.898 -31.457 1.00 10.33 H new ATOM 0 HA ILE A 13 -3.318 0.185 -30.093 1.00 3.43 H new ATOM 0 HB ILE A 13 -2.218 -1.501 -31.399 1.00 1.32 H new ATOM 0 HG12 ILE A 13 -1.853 1.142 -32.817 1.00 11.55 H new ATOM 0 HG13 ILE A 13 -1.363 0.907 -31.151 1.00 11.55 H new ATOM 0 HG21 ILE A 13 -2.373 -1.537 -33.852 1.00 62.42 H new ATOM 0 HG22 ILE A 13 -3.925 -1.937 -33.077 1.00 62.42 H new ATOM 0 HG23 ILE A 13 -3.673 -0.323 -33.783 1.00 62.42 H new ATOM 0 HD11 ILE A 13 0.527 0.481 -32.690 1.00 30.23 H new ATOM 0 HD12 ILE A 13 0.075 -1.011 -31.832 1.00 30.23 H new ATOM 0 HD13 ILE A 13 -0.423 -0.772 -33.524 1.00 30.23 H new ATOM 215 N ASN A 14 -3.769 2.304 -31.351 1.00 64.43 N ATOM 216 CA ASN A 14 -4.263 3.585 -31.826 1.00 34.31 C ATOM 217 C ASN A 14 -5.775 3.657 -31.603 1.00 74.33 C ATOM 218 O ASN A 14 -6.527 3.976 -32.523 1.00 33.10 O ATOM 219 CB ASN A 14 -3.997 3.758 -33.323 1.00 31.25 C ATOM 220 CG ASN A 14 -2.529 3.482 -33.654 1.00 11.03 C ATOM 221 OD1 ASN A 14 -1.685 3.342 -32.784 1.00 12.22 O ATOM 222 ND2 ASN A 14 -2.273 3.412 -34.957 1.00 25.12 N ATOM 0 H ASN A 14 -2.898 2.352 -30.822 1.00 64.43 H new ATOM 0 HA ASN A 14 -3.746 4.371 -31.275 1.00 34.31 H new ATOM 0 HB2 ASN A 14 -4.635 3.080 -33.890 1.00 31.25 H new ATOM 0 HB3 ASN A 14 -4.258 4.771 -33.628 1.00 31.25 H new ATOM 0 HD21 ASN A 14 -1.323 3.231 -35.281 1.00 25.12 H new ATOM 0 HD22 ASN A 14 -3.027 3.539 -35.632 1.00 25.12 H new ATOM 229 N THR A 15 -6.176 3.355 -30.377 1.00 22.20 N ATOM 230 CA THR A 15 -7.585 3.381 -30.022 1.00 4.31 C ATOM 231 C THR A 15 -7.826 4.360 -28.871 1.00 51.11 C ATOM 232 O THR A 15 -7.293 4.181 -27.777 1.00 14.01 O ATOM 233 CB THR A 15 -8.019 1.949 -29.703 1.00 3.31 C ATOM 234 OG1 THR A 15 -7.923 1.271 -30.952 1.00 53.15 O ATOM 235 CG2 THR A 15 -9.502 1.854 -29.340 1.00 10.32 C ATOM 0 H THR A 15 -5.550 3.091 -29.617 1.00 22.20 H new ATOM 0 HA THR A 15 -8.195 3.744 -30.849 1.00 4.31 H new ATOM 0 HB THR A 15 -7.419 1.563 -28.879 1.00 3.31 H new ATOM 0 HG1 THR A 15 -6.981 1.197 -31.212 1.00 53.15 H new ATOM 0 HG21 THR A 15 -9.758 0.817 -29.123 1.00 10.32 H new ATOM 0 HG22 THR A 15 -9.702 2.469 -28.462 1.00 10.32 H new ATOM 0 HG23 THR A 15 -10.105 2.209 -30.176 1.00 10.32 H new ATOM 243 N ALA A 16 -8.630 5.374 -29.158 1.00 23.34 N ATOM 244 CA ALA A 16 -8.948 6.381 -28.160 1.00 54.22 C ATOM 245 C ALA A 16 -9.407 5.692 -26.873 1.00 65.25 C ATOM 246 O ALA A 16 -10.284 4.830 -26.905 1.00 41.21 O ATOM 247 CB ALA A 16 -10.006 7.336 -28.718 1.00 63.14 C ATOM 0 H ALA A 16 -9.070 5.519 -30.067 1.00 23.34 H new ATOM 0 HA ALA A 16 -8.066 6.974 -27.920 1.00 54.22 H new ATOM 0 HB1 ALA A 16 -10.245 8.092 -27.970 1.00 63.14 H new ATOM 0 HB2 ALA A 16 -9.621 7.822 -29.614 1.00 63.14 H new ATOM 0 HB3 ALA A 16 -10.907 6.775 -28.968 1.00 63.14 H new ATOM 253 N LEU A 17 -8.792 6.097 -25.772 1.00 21.21 N ATOM 254 CA LEU A 17 -9.126 5.529 -24.477 1.00 24.23 C ATOM 255 C LEU A 17 -10.314 6.288 -23.882 1.00 44.15 C ATOM 256 O LEU A 17 -10.399 7.509 -24.005 1.00 44.01 O ATOM 257 CB LEU A 17 -7.894 5.505 -23.569 1.00 14.33 C ATOM 258 CG LEU A 17 -6.739 4.613 -24.028 1.00 12.30 C ATOM 259 CD1 LEU A 17 -5.464 4.919 -23.240 1.00 42.02 C ATOM 260 CD2 LEU A 17 -7.123 3.134 -23.947 1.00 4.45 C ATOM 0 H LEU A 17 -8.064 6.812 -25.750 1.00 21.21 H new ATOM 0 HA LEU A 17 -9.434 4.489 -24.585 1.00 24.23 H new ATOM 0 HB2 LEU A 17 -7.522 6.524 -23.468 1.00 14.33 H new ATOM 0 HB3 LEU A 17 -8.205 5.180 -22.576 1.00 14.33 H new ATOM 0 HG LEU A 17 -6.531 4.834 -25.075 1.00 12.30 H new ATOM 0 HD11 LEU A 17 -4.658 4.271 -23.586 1.00 42.02 H new ATOM 0 HD12 LEU A 17 -5.183 5.961 -23.393 1.00 42.02 H new ATOM 0 HD13 LEU A 17 -5.641 4.743 -22.179 1.00 42.02 H new ATOM 0 HD21 LEU A 17 -6.285 2.522 -24.279 1.00 4.45 H new ATOM 0 HD22 LEU A 17 -7.373 2.879 -22.917 1.00 4.45 H new ATOM 0 HD23 LEU A 17 -7.985 2.946 -24.587 1.00 4.45 H new ATOM 272 N THR A 18 -11.201 5.534 -23.251 1.00 72.34 N ATOM 273 CA THR A 18 -12.381 6.120 -22.638 1.00 5.22 C ATOM 274 C THR A 18 -12.494 5.684 -21.176 1.00 22.13 C ATOM 275 O THR A 18 -11.767 4.797 -20.731 1.00 3.34 O ATOM 276 CB THR A 18 -13.595 5.733 -23.483 1.00 55.13 C ATOM 277 OG1 THR A 18 -13.331 4.389 -23.877 1.00 3.33 O ATOM 278 CG2 THR A 18 -13.659 6.502 -24.804 1.00 43.53 C ATOM 0 H THR A 18 -11.127 4.522 -23.151 1.00 72.34 H new ATOM 0 HA THR A 18 -12.316 7.208 -22.616 1.00 5.22 H new ATOM 0 HB THR A 18 -14.506 5.915 -22.912 1.00 55.13 H new ATOM 0 HG1 THR A 18 -13.608 4.261 -24.808 1.00 3.33 H new ATOM 0 HG21 THR A 18 -14.540 6.189 -25.365 1.00 43.53 H new ATOM 0 HG22 THR A 18 -13.720 7.571 -24.600 1.00 43.53 H new ATOM 0 HG23 THR A 18 -12.763 6.295 -25.390 1.00 43.53 H new ATOM 286 N VAL A 19 -13.412 6.327 -20.469 1.00 44.21 N ATOM 287 CA VAL A 19 -13.630 6.017 -19.066 1.00 65.34 C ATOM 288 C VAL A 19 -14.401 4.700 -18.954 1.00 13.42 C ATOM 289 O VAL A 19 -14.482 4.115 -17.875 1.00 73.43 O ATOM 290 CB VAL A 19 -14.336 7.185 -18.376 1.00 20.14 C ATOM 291 CG1 VAL A 19 -15.856 7.032 -18.457 1.00 51.14 C ATOM 292 CG2 VAL A 19 -13.876 7.322 -16.923 1.00 0.02 C ATOM 0 H VAL A 19 -14.014 7.062 -20.842 1.00 44.21 H new ATOM 0 HA VAL A 19 -12.679 5.881 -18.552 1.00 65.34 H new ATOM 0 HB VAL A 19 -14.063 8.100 -18.902 1.00 20.14 H new ATOM 0 HG11 VAL A 19 -16.334 7.876 -17.959 1.00 51.14 H new ATOM 0 HG12 VAL A 19 -16.164 7.006 -19.502 1.00 51.14 H new ATOM 0 HG13 VAL A 19 -16.155 6.105 -17.968 1.00 51.14 H new ATOM 0 HG21 VAL A 19 -14.393 8.160 -16.455 1.00 0.02 H new ATOM 0 HG22 VAL A 19 -14.106 6.405 -16.381 1.00 0.02 H new ATOM 0 HG23 VAL A 19 -12.801 7.499 -16.897 1.00 0.02 H new ATOM 302 N GLY A 20 -14.949 4.274 -20.082 1.00 64.05 N ATOM 303 CA GLY A 20 -15.711 3.038 -20.124 1.00 70.31 C ATOM 304 C GLY A 20 -14.889 1.907 -20.745 1.00 64.14 C ATOM 305 O GLY A 20 -15.421 0.840 -21.046 1.00 75.04 O ATOM 0 H GLY A 20 -14.880 4.763 -20.974 1.00 64.05 H new ATOM 0 HA2 GLY A 20 -16.015 2.760 -19.115 1.00 70.31 H new ATOM 0 HA3 GLY A 20 -16.623 3.189 -20.701 1.00 70.31 H new ATOM 309 N MET A 21 -13.604 2.179 -20.919 1.00 4.21 N ATOM 310 CA MET A 21 -12.702 1.198 -21.499 1.00 13.01 C ATOM 311 C MET A 21 -11.616 0.793 -20.500 1.00 35.11 C ATOM 312 O MET A 21 -11.174 -0.355 -20.490 1.00 43.44 O ATOM 313 CB MET A 21 -12.050 1.783 -22.753 1.00 61.42 C ATOM 314 CG MET A 21 -12.835 1.398 -24.009 1.00 43.22 C ATOM 315 SD MET A 21 -11.710 1.073 -25.356 1.00 64.42 S ATOM 316 CE MET A 21 -10.638 2.494 -25.216 1.00 35.52 C ATOM 0 H MET A 21 -13.166 3.065 -20.668 1.00 4.21 H new ATOM 0 HA MET A 21 -13.279 0.310 -21.759 1.00 13.01 H new ATOM 0 HB2 MET A 21 -12.001 2.869 -22.669 1.00 61.42 H new ATOM 0 HB3 MET A 21 -11.025 1.423 -22.836 1.00 61.42 H new ATOM 0 HG2 MET A 21 -13.443 0.515 -23.811 1.00 43.22 H new ATOM 0 HG3 MET A 21 -13.519 2.202 -24.281 1.00 43.22 H new ATOM 0 HE1 MET A 21 -10.048 2.596 -26.127 1.00 35.52 H new ATOM 0 HE2 MET A 21 -11.240 3.391 -25.071 1.00 35.52 H new ATOM 0 HE3 MET A 21 -9.970 2.364 -24.364 1.00 35.52 H new ATOM 326 N MET A 22 -11.219 1.758 -19.683 1.00 61.54 N ATOM 327 CA MET A 22 -10.193 1.516 -18.683 1.00 33.31 C ATOM 328 C MET A 22 -10.818 1.224 -17.317 1.00 22.21 C ATOM 329 O MET A 22 -12.039 1.240 -17.173 1.00 12.45 O ATOM 330 CB MET A 22 -9.284 2.742 -18.577 1.00 61.41 C ATOM 331 CG MET A 22 -8.416 2.890 -19.828 1.00 65.52 C ATOM 332 SD MET A 22 -7.671 4.512 -19.866 1.00 74.55 S ATOM 333 CE MET A 22 -9.120 5.510 -20.167 1.00 50.11 C ATOM 0 H MET A 22 -11.589 2.708 -19.693 1.00 61.54 H new ATOM 0 HA MET A 22 -9.611 0.647 -18.989 1.00 33.31 H new ATOM 0 HB2 MET A 22 -9.890 3.638 -18.442 1.00 61.41 H new ATOM 0 HB3 MET A 22 -8.647 2.652 -17.697 1.00 61.41 H new ATOM 0 HG2 MET A 22 -7.640 2.124 -19.835 1.00 65.52 H new ATOM 0 HG3 MET A 22 -9.022 2.738 -20.721 1.00 65.52 H new ATOM 0 HE1 MET A 22 -8.816 6.523 -20.431 1.00 50.11 H new ATOM 0 HE2 MET A 22 -9.695 5.079 -20.986 1.00 50.11 H new ATOM 0 HE3 MET A 22 -9.735 5.539 -19.268 1.00 50.11 H new ATOM 343 N THR A 23 -9.951 0.963 -16.349 1.00 52.22 N ATOM 344 CA THR A 23 -10.402 0.668 -15.000 1.00 14.11 C ATOM 345 C THR A 23 -9.225 0.705 -14.024 1.00 0.13 C ATOM 346 O THR A 23 -8.079 0.880 -14.434 1.00 42.43 O ATOM 347 CB THR A 23 -11.127 -0.679 -15.028 1.00 25.43 C ATOM 348 OG1 THR A 23 -12.088 -0.578 -13.981 1.00 74.33 O ATOM 349 CG2 THR A 23 -10.225 -1.838 -14.595 1.00 13.43 C ATOM 0 H THR A 23 -8.939 0.950 -16.473 1.00 52.22 H new ATOM 0 HA THR A 23 -11.103 1.423 -14.643 1.00 14.11 H new ATOM 0 HB THR A 23 -11.504 -0.868 -16.033 1.00 25.43 H new ATOM 0 HG1 THR A 23 -12.605 -1.409 -13.930 1.00 74.33 H new ATOM 0 HG21 THR A 23 -10.788 -2.771 -14.633 1.00 13.43 H new ATOM 0 HG22 THR A 23 -9.369 -1.903 -15.267 1.00 13.43 H new ATOM 0 HG23 THR A 23 -9.875 -1.666 -13.577 1.00 13.43 H new ATOM 357 N THR A 24 -9.548 0.537 -12.750 1.00 13.21 N ATOM 358 CA THR A 24 -8.532 0.549 -11.712 1.00 3.21 C ATOM 359 C THR A 24 -8.456 -0.815 -11.023 1.00 55.13 C ATOM 360 O THR A 24 -9.484 -1.412 -10.706 1.00 12.40 O ATOM 361 CB THR A 24 -8.849 1.698 -10.752 1.00 74.42 C ATOM 362 OG1 THR A 24 -10.098 1.330 -10.172 1.00 24.33 O ATOM 363 CG2 THR A 24 -9.151 3.007 -11.485 1.00 23.41 C ATOM 0 H THR A 24 -10.500 0.392 -12.413 1.00 13.21 H new ATOM 0 HA THR A 24 -7.541 0.721 -12.132 1.00 3.21 H new ATOM 0 HB THR A 24 -8.009 1.847 -10.074 1.00 74.42 H new ATOM 0 HG1 THR A 24 -9.940 0.782 -9.375 1.00 24.33 H new ATOM 0 HG21 THR A 24 -9.369 3.789 -10.758 1.00 23.41 H new ATOM 0 HG22 THR A 24 -8.287 3.297 -12.082 1.00 23.41 H new ATOM 0 HG23 THR A 24 -10.013 2.868 -12.138 1.00 23.41 H new ATOM 371 N ARG A 25 -7.230 -1.269 -10.812 1.00 43.34 N ATOM 372 CA ARG A 25 -7.007 -2.551 -10.167 1.00 61.51 C ATOM 373 C ARG A 25 -5.537 -2.696 -9.767 1.00 72.20 C ATOM 374 O ARG A 25 -4.645 -2.289 -10.509 1.00 51.24 O ATOM 375 CB ARG A 25 -7.393 -3.708 -11.092 1.00 43.50 C ATOM 376 CG ARG A 25 -8.524 -4.540 -10.486 1.00 31.51 C ATOM 377 CD ARG A 25 -9.849 -4.268 -11.201 1.00 12.24 C ATOM 378 NE ARG A 25 -10.559 -5.542 -11.454 1.00 43.44 N ATOM 379 CZ ARG A 25 -11.898 -5.649 -11.586 1.00 10.24 C ATOM 380 NH1 ARG A 25 -12.686 -4.557 -11.488 1.00 4.32 N ATOM 381 NH2 ARG A 25 -12.426 -6.837 -11.811 1.00 21.52 N ATOM 0 H ARG A 25 -6.380 -0.771 -11.077 1.00 43.34 H new ATOM 0 HA ARG A 25 -7.635 -2.587 -9.277 1.00 61.51 H new ATOM 0 HB2 ARG A 25 -7.704 -3.316 -12.060 1.00 43.50 H new ATOM 0 HB3 ARG A 25 -6.524 -4.342 -11.269 1.00 43.50 H new ATOM 0 HG2 ARG A 25 -8.279 -5.600 -10.557 1.00 31.51 H new ATOM 0 HG3 ARG A 25 -8.624 -4.307 -9.426 1.00 31.51 H new ATOM 0 HD2 ARG A 25 -10.471 -3.610 -10.594 1.00 12.24 H new ATOM 0 HD3 ARG A 25 -9.664 -3.752 -12.143 1.00 12.24 H new ATOM 0 HE ARG A 25 -10.001 -6.392 -11.534 1.00 43.44 H new ATOM 0 HH11 ARG A 25 -12.270 -3.642 -11.313 1.00 4.32 H new ATOM 0 HH12 ARG A 25 -13.697 -4.647 -11.589 1.00 4.32 H new ATOM 0 HH21 ARG A 25 -11.824 -7.657 -11.883 1.00 21.52 H new ATOM 0 HH22 ARG A 25 -13.436 -6.935 -11.913 1.00 21.52 H new ATOM 394 N VAL A 26 -5.331 -3.278 -8.595 1.00 3.44 N ATOM 395 CA VAL A 26 -3.985 -3.481 -8.087 1.00 24.11 C ATOM 396 C VAL A 26 -3.352 -4.680 -8.797 1.00 33.03 C ATOM 397 O VAL A 26 -3.362 -5.793 -8.272 1.00 52.51 O ATOM 398 CB VAL A 26 -4.017 -3.636 -6.565 1.00 71.31 C ATOM 399 CG1 VAL A 26 -2.602 -3.641 -5.984 1.00 63.41 C ATOM 400 CG2 VAL A 26 -4.871 -2.542 -5.921 1.00 24.35 C ATOM 0 H VAL A 26 -6.074 -3.615 -7.983 1.00 3.44 H new ATOM 0 HA VAL A 26 -3.362 -2.612 -8.298 1.00 24.11 H new ATOM 0 HB VAL A 26 -4.476 -4.598 -6.336 1.00 71.31 H new ATOM 0 HG11 VAL A 26 -2.654 -3.752 -4.901 1.00 63.41 H new ATOM 0 HG12 VAL A 26 -2.038 -4.472 -6.408 1.00 63.41 H new ATOM 0 HG13 VAL A 26 -2.105 -2.702 -6.229 1.00 63.41 H new ATOM 0 HG21 VAL A 26 -4.877 -2.675 -4.839 1.00 24.35 H new ATOM 0 HG22 VAL A 26 -4.454 -1.565 -6.164 1.00 24.35 H new ATOM 0 HG23 VAL A 26 -5.891 -2.606 -6.300 1.00 24.35 H new ATOM 410 N VAL A 27 -2.817 -4.413 -9.979 1.00 15.41 N ATOM 411 CA VAL A 27 -2.182 -5.456 -10.766 1.00 41.41 C ATOM 412 C VAL A 27 -0.664 -5.267 -10.724 1.00 31.23 C ATOM 413 O VAL A 27 -0.178 -4.198 -10.360 1.00 3.50 O ATOM 414 CB VAL A 27 -2.745 -5.454 -12.189 1.00 20.13 C ATOM 415 CG1 VAL A 27 -4.273 -5.377 -12.173 1.00 41.15 C ATOM 416 CG2 VAL A 27 -2.146 -4.313 -13.014 1.00 74.31 C ATOM 0 H VAL A 27 -2.810 -3.489 -10.411 1.00 15.41 H new ATOM 0 HA VAL A 27 -2.400 -6.438 -10.346 1.00 41.41 H new ATOM 0 HB VAL A 27 -2.462 -6.394 -12.663 1.00 20.13 H new ATOM 0 HG11 VAL A 27 -4.648 -5.377 -13.196 1.00 41.15 H new ATOM 0 HG12 VAL A 27 -4.675 -6.238 -11.639 1.00 41.15 H new ATOM 0 HG13 VAL A 27 -4.586 -4.461 -11.672 1.00 41.15 H new ATOM 0 HG21 VAL A 27 -2.563 -4.334 -14.021 1.00 74.31 H new ATOM 0 HG22 VAL A 27 -2.384 -3.359 -12.543 1.00 74.31 H new ATOM 0 HG23 VAL A 27 -1.064 -4.431 -13.067 1.00 74.31 H new ATOM 426 N SER A 28 0.042 -6.323 -11.101 1.00 31.14 N ATOM 427 CA SER A 28 1.494 -6.287 -11.110 1.00 64.52 C ATOM 428 C SER A 28 2.021 -6.776 -12.461 1.00 71.30 C ATOM 429 O SER A 28 1.549 -7.782 -12.988 1.00 60.41 O ATOM 430 CB SER A 28 2.074 -7.136 -9.976 1.00 54.23 C ATOM 431 OG SER A 28 3.299 -6.602 -9.482 1.00 52.51 O ATOM 0 H SER A 28 -0.365 -7.209 -11.402 1.00 31.14 H new ATOM 0 HA SER A 28 1.811 -5.256 -10.954 1.00 64.52 H new ATOM 0 HB2 SER A 28 1.351 -7.197 -9.163 1.00 54.23 H new ATOM 0 HB3 SER A 28 2.239 -8.153 -10.332 1.00 54.23 H new ATOM 0 HG SER A 28 3.636 -7.171 -8.759 1.00 52.51 H new ATOM 437 N PRO A 29 3.018 -6.022 -12.997 1.00 15.44 N ATOM 438 CA PRO A 29 3.519 -4.845 -12.307 1.00 34.13 C ATOM 439 C PRO A 29 2.531 -3.682 -12.418 1.00 51.11 C ATOM 440 O PRO A 29 1.753 -3.612 -13.368 1.00 72.32 O ATOM 441 CB PRO A 29 4.860 -4.549 -12.957 1.00 23.41 C ATOM 442 CG PRO A 29 4.849 -5.282 -14.288 1.00 72.55 C ATOM 443 CD PRO A 29 3.691 -6.267 -14.268 1.00 63.43 C ATOM 0 HA PRO A 29 3.638 -5.004 -11.235 1.00 34.13 H new ATOM 0 HB2 PRO A 29 4.995 -3.477 -13.103 1.00 23.41 H new ATOM 0 HB3 PRO A 29 5.682 -4.892 -12.329 1.00 23.41 H new ATOM 0 HG2 PRO A 29 4.736 -4.577 -15.111 1.00 72.55 H new ATOM 0 HG3 PRO A 29 5.793 -5.805 -14.444 1.00 72.55 H new ATOM 0 HD2 PRO A 29 3.018 -6.104 -15.110 1.00 63.43 H new ATOM 0 HD3 PRO A 29 4.045 -7.296 -14.337 1.00 63.43 H new ATOM 451 N THR A 30 2.594 -2.797 -11.434 1.00 24.32 N ATOM 452 CA THR A 30 1.715 -1.640 -11.409 1.00 64.53 C ATOM 453 C THR A 30 2.093 -0.660 -12.522 1.00 32.42 C ATOM 454 O THR A 30 3.204 -0.134 -12.540 1.00 3.14 O ATOM 455 CB THR A 30 1.782 -1.026 -10.010 1.00 13.12 C ATOM 456 OG1 THR A 30 3.175 -0.980 -9.716 1.00 44.14 O ATOM 457 CG2 THR A 30 1.205 -1.951 -8.936 1.00 63.11 C ATOM 0 H THR A 30 3.241 -2.858 -10.648 1.00 24.32 H new ATOM 0 HA THR A 30 0.681 -1.924 -11.606 1.00 64.53 H new ATOM 0 HB THR A 30 1.241 -0.080 -10.004 1.00 13.12 H new ATOM 0 HG1 THR A 30 3.677 -0.806 -10.539 1.00 44.14 H new ATOM 0 HG21 THR A 30 1.277 -1.467 -7.962 1.00 63.11 H new ATOM 0 HG22 THR A 30 0.159 -2.161 -9.160 1.00 63.11 H new ATOM 0 HG23 THR A 30 1.767 -2.885 -8.920 1.00 63.11 H new ATOM 465 N GLY A 31 1.146 -0.445 -13.423 1.00 71.12 N ATOM 466 CA GLY A 31 1.365 0.462 -14.537 1.00 10.54 C ATOM 467 C GLY A 31 0.796 1.850 -14.233 1.00 71.02 C ATOM 468 O GLY A 31 0.742 2.263 -13.076 1.00 4.40 O ATOM 0 H GLY A 31 0.225 -0.883 -13.404 1.00 71.12 H new ATOM 0 HA2 GLY A 31 2.433 0.540 -14.743 1.00 10.54 H new ATOM 0 HA3 GLY A 31 0.895 0.061 -15.435 1.00 10.54 H new ATOM 472 N ILE A 32 0.385 2.531 -15.293 1.00 60.40 N ATOM 473 CA ILE A 32 -0.178 3.863 -15.155 1.00 31.04 C ATOM 474 C ILE A 32 -1.088 3.902 -13.925 1.00 52.13 C ATOM 475 O ILE A 32 -1.789 2.934 -13.636 1.00 73.35 O ATOM 476 CB ILE A 32 -0.875 4.287 -16.449 1.00 44.41 C ATOM 477 CG1 ILE A 32 0.126 4.386 -17.603 1.00 35.01 C ATOM 478 CG2 ILE A 32 -1.652 5.590 -16.252 1.00 11.34 C ATOM 479 CD1 ILE A 32 -0.597 4.515 -18.945 1.00 51.03 C ATOM 0 H ILE A 32 0.431 2.185 -16.251 1.00 60.40 H new ATOM 0 HA ILE A 32 0.612 4.596 -14.991 1.00 31.04 H new ATOM 0 HB ILE A 32 -1.599 3.517 -16.715 1.00 44.41 H new ATOM 0 HG12 ILE A 32 0.777 5.247 -17.452 1.00 35.01 H new ATOM 0 HG13 ILE A 32 0.764 3.502 -17.613 1.00 35.01 H new ATOM 0 HG21 ILE A 32 -2.138 5.869 -17.187 1.00 11.34 H new ATOM 0 HG22 ILE A 32 -2.407 5.450 -15.478 1.00 11.34 H new ATOM 0 HG23 ILE A 32 -0.965 6.381 -15.950 1.00 11.34 H new ATOM 0 HD11 ILE A 32 0.137 4.584 -19.748 1.00 51.03 H new ATOM 0 HD12 ILE A 32 -1.228 3.641 -19.104 1.00 51.03 H new ATOM 0 HD13 ILE A 32 -1.215 5.413 -18.940 1.00 51.03 H new ATOM 491 N PRO A 33 -1.046 5.062 -13.216 1.00 35.30 N ATOM 492 CA PRO A 33 -1.859 5.240 -12.024 1.00 63.25 C ATOM 493 C PRO A 33 -3.325 5.476 -12.391 1.00 13.22 C ATOM 494 O PRO A 33 -3.624 6.013 -13.456 1.00 41.52 O ATOM 495 CB PRO A 33 -1.232 6.416 -11.293 1.00 60.24 C ATOM 496 CG PRO A 33 -0.385 7.144 -12.324 1.00 64.21 C ATOM 497 CD PRO A 33 -0.228 6.230 -13.528 1.00 70.33 C ATOM 0 HA PRO A 33 -1.874 4.355 -11.388 1.00 63.25 H new ATOM 0 HB2 PRO A 33 -1.998 7.074 -10.882 1.00 60.24 H new ATOM 0 HB3 PRO A 33 -0.622 6.075 -10.456 1.00 60.24 H new ATOM 0 HG2 PRO A 33 -0.860 8.081 -12.615 1.00 64.21 H new ATOM 0 HG3 PRO A 33 0.590 7.397 -11.907 1.00 64.21 H new ATOM 0 HD2 PRO A 33 -0.567 6.718 -14.442 1.00 70.33 H new ATOM 0 HD3 PRO A 33 0.815 5.953 -13.682 1.00 70.33 H new ATOM 505 N ALA A 34 -4.202 5.063 -11.487 1.00 3.40 N ATOM 506 CA ALA A 34 -5.630 5.224 -11.702 1.00 22.44 C ATOM 507 C ALA A 34 -5.965 6.714 -11.780 1.00 52.34 C ATOM 508 O ALA A 34 -7.060 7.087 -12.200 1.00 30.43 O ATOM 509 CB ALA A 34 -6.397 4.512 -10.586 1.00 21.44 C ATOM 0 H ALA A 34 -3.951 4.617 -10.605 1.00 3.40 H new ATOM 0 HA ALA A 34 -5.930 4.769 -12.646 1.00 22.44 H new ATOM 0 HB1 ALA A 34 -7.468 4.632 -10.747 1.00 21.44 H new ATOM 0 HB2 ALA A 34 -6.146 3.451 -10.592 1.00 21.44 H new ATOM 0 HB3 ALA A 34 -6.124 4.944 -9.623 1.00 21.44 H new ATOM 515 N GLU A 35 -5.003 7.527 -11.371 1.00 4.25 N ATOM 516 CA GLU A 35 -5.182 8.969 -11.389 1.00 51.04 C ATOM 517 C GLU A 35 -4.967 9.512 -12.804 1.00 12.24 C ATOM 518 O GLU A 35 -5.225 10.686 -13.067 1.00 71.55 O ATOM 519 CB GLU A 35 -4.244 9.651 -10.392 1.00 13.43 C ATOM 520 CG GLU A 35 -2.848 9.834 -10.989 1.00 5.23 C ATOM 521 CD GLU A 35 -1.801 10.021 -9.888 1.00 60.33 C ATOM 522 OE1 GLU A 35 -0.596 9.887 -10.149 1.00 72.34 O ATOM 523 OE2 GLU A 35 -2.278 10.316 -8.727 1.00 1.43 O ATOM 0 H GLU A 35 -4.096 7.215 -11.025 1.00 4.25 H new ATOM 0 HA GLU A 35 -6.205 9.193 -11.086 1.00 51.04 H new ATOM 0 HB2 GLU A 35 -4.652 10.621 -10.109 1.00 13.43 H new ATOM 0 HB3 GLU A 35 -4.179 9.054 -9.482 1.00 13.43 H new ATOM 0 HG2 GLU A 35 -2.591 8.966 -11.596 1.00 5.23 H new ATOM 0 HG3 GLU A 35 -2.843 10.699 -11.652 1.00 5.23 H new ATOM 531 N ASP A 36 -4.497 8.633 -13.676 1.00 31.42 N ATOM 532 CA ASP A 36 -4.245 9.009 -15.056 1.00 44.33 C ATOM 533 C ASP A 36 -5.386 8.497 -15.937 1.00 61.11 C ATOM 534 O ASP A 36 -5.426 8.779 -17.134 1.00 10.14 O ATOM 535 CB ASP A 36 -2.941 8.392 -15.566 1.00 4.22 C ATOM 536 CG ASP A 36 -2.171 9.248 -16.575 1.00 33.44 C ATOM 537 OD1 ASP A 36 -1.274 10.019 -16.205 1.00 2.03 O ATOM 538 OD2 ASP A 36 -2.531 9.096 -17.804 1.00 54.51 O ATOM 0 H ASP A 36 -4.284 7.661 -13.453 1.00 31.42 H new ATOM 0 HA ASP A 36 -4.172 10.096 -15.101 1.00 44.33 H new ATOM 0 HB2 ASP A 36 -2.293 8.192 -14.713 1.00 4.22 H new ATOM 0 HB3 ASP A 36 -3.167 7.430 -16.026 1.00 4.22 H new ATOM 544 N ILE A 37 -6.286 7.753 -15.311 1.00 23.11 N ATOM 545 CA ILE A 37 -7.425 7.199 -16.023 1.00 23.42 C ATOM 546 C ILE A 37 -8.145 8.319 -16.775 1.00 14.44 C ATOM 547 O ILE A 37 -8.441 8.186 -17.961 1.00 62.11 O ATOM 548 CB ILE A 37 -8.329 6.421 -15.064 1.00 63.33 C ATOM 549 CG1 ILE A 37 -7.930 4.944 -15.011 1.00 50.52 C ATOM 550 CG2 ILE A 37 -9.803 6.604 -15.431 1.00 62.51 C ATOM 551 CD1 ILE A 37 -9.012 4.109 -14.324 1.00 22.21 C ATOM 0 H ILE A 37 -6.249 7.521 -14.318 1.00 23.11 H new ATOM 0 HA ILE A 37 -7.094 6.476 -16.769 1.00 23.42 H new ATOM 0 HB ILE A 37 -8.194 6.827 -14.061 1.00 63.33 H new ATOM 0 HG12 ILE A 37 -7.765 4.572 -16.022 1.00 50.52 H new ATOM 0 HG13 ILE A 37 -6.987 4.837 -14.474 1.00 50.52 H new ATOM 0 HG21 ILE A 37 -10.424 6.041 -14.734 1.00 62.51 H new ATOM 0 HG22 ILE A 37 -10.063 7.661 -15.376 1.00 62.51 H new ATOM 0 HG23 ILE A 37 -9.973 6.240 -16.444 1.00 62.51 H new ATOM 0 HD11 ILE A 37 -8.704 3.064 -14.299 1.00 22.21 H new ATOM 0 HD12 ILE A 37 -9.157 4.469 -13.305 1.00 22.21 H new ATOM 0 HD13 ILE A 37 -9.947 4.199 -14.877 1.00 22.21 H new ATOM 563 N PRO A 38 -8.415 9.428 -16.034 1.00 24.32 N ATOM 564 CA PRO A 38 -9.095 10.571 -16.618 1.00 11.13 C ATOM 565 C PRO A 38 -8.154 11.364 -17.526 1.00 4.50 C ATOM 566 O PRO A 38 -8.585 12.281 -18.224 1.00 63.32 O ATOM 567 CB PRO A 38 -9.597 11.378 -15.431 1.00 45.45 C ATOM 568 CG PRO A 38 -8.784 10.910 -14.235 1.00 40.12 C ATOM 569 CD PRO A 38 -8.080 9.621 -14.626 1.00 4.10 C ATOM 0 HA PRO A 38 -9.923 10.283 -17.265 1.00 11.13 H new ATOM 0 HB2 PRO A 38 -9.463 12.446 -15.600 1.00 45.45 H new ATOM 0 HB3 PRO A 38 -10.662 11.212 -15.268 1.00 45.45 H new ATOM 0 HG2 PRO A 38 -8.057 11.670 -13.947 1.00 40.12 H new ATOM 0 HG3 PRO A 38 -9.432 10.745 -13.374 1.00 40.12 H new ATOM 0 HD2 PRO A 38 -7.002 9.699 -14.483 1.00 4.10 H new ATOM 0 HD3 PRO A 38 -8.422 8.783 -14.019 1.00 4.10 H new ATOM 577 N ARG A 39 -6.885 10.983 -17.487 1.00 52.42 N ATOM 578 CA ARG A 39 -5.879 11.648 -18.298 1.00 71.32 C ATOM 579 C ARG A 39 -5.627 10.857 -19.584 1.00 11.51 C ATOM 580 O ARG A 39 -5.179 11.417 -20.583 1.00 43.51 O ATOM 581 CB ARG A 39 -4.563 11.795 -17.532 1.00 31.21 C ATOM 582 CG ARG A 39 -4.729 12.730 -16.332 1.00 63.12 C ATOM 583 CD ARG A 39 -3.483 12.708 -15.444 1.00 51.20 C ATOM 584 NE ARG A 39 -2.485 13.677 -15.949 1.00 3.12 N ATOM 585 CZ ARG A 39 -1.605 13.411 -16.938 1.00 10.52 C ATOM 586 NH1 ARG A 39 -1.593 12.202 -17.538 1.00 0.14 N ATOM 587 NH2 ARG A 39 -0.757 14.352 -17.310 1.00 23.05 N ATOM 0 H ARG A 39 -6.531 10.223 -16.907 1.00 52.42 H new ATOM 0 HA ARG A 39 -6.255 12.641 -18.545 1.00 71.32 H new ATOM 0 HB2 ARG A 39 -4.225 10.816 -17.191 1.00 31.21 H new ATOM 0 HB3 ARG A 39 -3.792 12.184 -18.197 1.00 31.21 H new ATOM 0 HG2 ARG A 39 -4.914 13.746 -16.681 1.00 63.12 H new ATOM 0 HG3 ARG A 39 -5.600 12.430 -15.750 1.00 63.12 H new ATOM 0 HD2 ARG A 39 -3.754 12.954 -14.417 1.00 51.20 H new ATOM 0 HD3 ARG A 39 -3.054 11.706 -15.429 1.00 51.20 H new ATOM 0 HE ARG A 39 -2.460 14.604 -15.523 1.00 3.12 H new ATOM 0 HH11 ARG A 39 -2.252 11.481 -17.245 1.00 0.14 H new ATOM 0 HH12 ARG A 39 -0.925 12.010 -18.284 1.00 0.14 H new ATOM 0 HH21 ARG A 39 -0.773 15.263 -16.852 1.00 23.05 H new ATOM 0 HH22 ARG A 39 -0.086 14.168 -18.055 1.00 23.05 H new ATOM 600 N LEU A 40 -5.926 9.569 -19.517 1.00 34.43 N ATOM 601 CA LEU A 40 -5.738 8.696 -20.663 1.00 62.21 C ATOM 602 C LEU A 40 -6.900 8.885 -21.639 1.00 54.25 C ATOM 603 O LEU A 40 -6.769 8.601 -22.829 1.00 52.41 O ATOM 604 CB LEU A 40 -5.547 7.248 -20.208 1.00 64.41 C ATOM 605 CG LEU A 40 -4.313 6.973 -19.346 1.00 20.23 C ATOM 606 CD1 LEU A 40 -4.495 5.699 -18.518 1.00 14.21 C ATOM 607 CD2 LEU A 40 -3.046 6.924 -20.201 1.00 63.45 C ATOM 0 H LEU A 40 -6.297 9.108 -18.686 1.00 34.43 H new ATOM 0 HA LEU A 40 -4.826 8.961 -21.198 1.00 62.21 H new ATOM 0 HB2 LEU A 40 -6.432 6.944 -19.648 1.00 64.41 H new ATOM 0 HB3 LEU A 40 -5.496 6.614 -21.093 1.00 64.41 H new ATOM 0 HG LEU A 40 -4.196 7.799 -18.645 1.00 20.23 H new ATOM 0 HD11 LEU A 40 -3.604 5.527 -17.915 1.00 14.21 H new ATOM 0 HD12 LEU A 40 -5.360 5.811 -17.864 1.00 14.21 H new ATOM 0 HD13 LEU A 40 -4.651 4.851 -19.185 1.00 14.21 H new ATOM 0 HD21 LEU A 40 -2.184 6.727 -19.563 1.00 63.45 H new ATOM 0 HD22 LEU A 40 -3.138 6.130 -20.942 1.00 63.45 H new ATOM 0 HD23 LEU A 40 -2.912 7.880 -20.708 1.00 63.45 H new ATOM 619 N ILE A 41 -8.012 9.364 -21.100 1.00 71.24 N ATOM 620 CA ILE A 41 -9.197 9.594 -21.909 1.00 40.52 C ATOM 621 C ILE A 41 -8.847 10.540 -23.060 1.00 54.20 C ATOM 622 O ILE A 41 -8.167 11.545 -22.858 1.00 32.12 O ATOM 623 CB ILE A 41 -10.353 10.088 -21.037 1.00 52.11 C ATOM 624 CG1 ILE A 41 -10.557 9.174 -19.827 1.00 64.34 C ATOM 625 CG2 ILE A 41 -11.634 10.243 -21.860 1.00 65.14 C ATOM 626 CD1 ILE A 41 -11.996 9.253 -19.316 1.00 55.01 C ATOM 0 H ILE A 41 -8.117 9.599 -20.113 1.00 71.24 H new ATOM 0 HA ILE A 41 -9.541 8.661 -22.355 1.00 40.52 H new ATOM 0 HB ILE A 41 -10.094 11.075 -20.655 1.00 52.11 H new ATOM 0 HG12 ILE A 41 -10.320 8.146 -20.100 1.00 64.34 H new ATOM 0 HG13 ILE A 41 -9.869 9.459 -19.031 1.00 64.34 H new ATOM 0 HG21 ILE A 41 -12.440 10.595 -21.216 1.00 65.14 H new ATOM 0 HG22 ILE A 41 -11.467 10.964 -22.660 1.00 65.14 H new ATOM 0 HG23 ILE A 41 -11.908 9.280 -22.291 1.00 65.14 H new ATOM 0 HD11 ILE A 41 -12.113 8.594 -18.456 1.00 55.01 H new ATOM 0 HD12 ILE A 41 -12.222 10.278 -19.021 1.00 55.01 H new ATOM 0 HD13 ILE A 41 -12.680 8.944 -20.106 1.00 55.01 H new ATOM 638 N SER A 42 -9.329 10.185 -24.242 1.00 45.13 N ATOM 639 CA SER A 42 -9.075 10.990 -25.426 1.00 34.34 C ATOM 640 C SER A 42 -7.725 10.611 -26.037 1.00 31.40 C ATOM 641 O SER A 42 -7.406 11.023 -27.151 1.00 53.30 O ATOM 642 CB SER A 42 -9.107 12.483 -25.093 1.00 74.25 C ATOM 643 OG SER A 42 -9.429 13.276 -26.233 1.00 10.33 O ATOM 0 H SER A 42 -9.894 9.351 -24.406 1.00 45.13 H new ATOM 0 HA SER A 42 -9.863 10.790 -26.152 1.00 34.34 H new ATOM 0 HB2 SER A 42 -9.840 12.664 -24.307 1.00 74.25 H new ATOM 0 HB3 SER A 42 -8.137 12.788 -24.701 1.00 74.25 H new ATOM 0 HG SER A 42 -9.441 14.223 -25.980 1.00 10.33 H new ATOM 649 N MET A 43 -6.968 9.829 -25.281 1.00 42.21 N ATOM 650 CA MET A 43 -5.659 9.390 -25.735 1.00 31.24 C ATOM 651 C MET A 43 -5.717 7.959 -26.272 1.00 72.45 C ATOM 652 O MET A 43 -6.271 7.071 -25.626 1.00 73.21 O ATOM 653 CB MET A 43 -4.666 9.459 -24.573 1.00 33.14 C ATOM 654 CG MET A 43 -4.911 10.702 -23.715 1.00 53.33 C ATOM 655 SD MET A 43 -3.365 11.305 -23.058 1.00 51.23 S ATOM 656 CE MET A 43 -2.566 9.756 -22.674 1.00 72.35 C ATOM 0 H MET A 43 -7.236 9.488 -24.358 1.00 42.21 H new ATOM 0 HA MET A 43 -5.335 10.048 -26.541 1.00 31.24 H new ATOM 0 HB2 MET A 43 -4.758 8.564 -23.958 1.00 33.14 H new ATOM 0 HB3 MET A 43 -3.647 9.476 -24.961 1.00 33.14 H new ATOM 0 HG2 MET A 43 -5.389 11.478 -24.313 1.00 53.33 H new ATOM 0 HG3 MET A 43 -5.593 10.462 -22.899 1.00 53.33 H new ATOM 0 HE1 MET A 43 -2.036 9.845 -21.726 1.00 72.35 H new ATOM 0 HE2 MET A 43 -3.316 8.969 -22.598 1.00 72.35 H new ATOM 0 HE3 MET A 43 -1.857 9.507 -23.464 1.00 72.35 H new ATOM 666 N GLN A 44 -5.137 7.779 -27.450 1.00 54.12 N ATOM 667 CA GLN A 44 -5.116 6.471 -28.082 1.00 72.13 C ATOM 668 C GLN A 44 -3.840 5.718 -27.701 1.00 32.32 C ATOM 669 O GLN A 44 -2.787 6.326 -27.520 1.00 3.23 O ATOM 670 CB GLN A 44 -5.247 6.594 -29.602 1.00 22.13 C ATOM 671 CG GLN A 44 -6.322 7.615 -29.979 1.00 5.53 C ATOM 672 CD GLN A 44 -6.197 8.025 -31.448 1.00 13.13 C ATOM 673 OE1 GLN A 44 -5.800 9.130 -31.779 1.00 55.23 O ATOM 674 NE2 GLN A 44 -6.557 7.076 -32.306 1.00 74.45 N ATOM 0 H GLN A 44 -4.678 8.518 -27.983 1.00 54.12 H new ATOM 0 HA GLN A 44 -5.972 5.901 -27.721 1.00 72.13 H new ATOM 0 HB2 GLN A 44 -4.290 6.893 -30.030 1.00 22.13 H new ATOM 0 HB3 GLN A 44 -5.497 5.623 -30.029 1.00 22.13 H new ATOM 0 HG2 GLN A 44 -7.310 7.192 -29.799 1.00 5.53 H new ATOM 0 HG3 GLN A 44 -6.232 8.496 -29.343 1.00 5.53 H new ATOM 0 HE21 GLN A 44 -6.880 6.172 -31.961 1.00 74.45 H new ATOM 0 HE22 GLN A 44 -6.510 7.251 -33.310 1.00 74.45 H new ATOM 683 N VAL A 45 -3.977 4.405 -27.590 1.00 70.40 N ATOM 684 CA VAL A 45 -2.848 3.562 -27.233 1.00 72.04 C ATOM 685 C VAL A 45 -1.924 3.416 -28.444 1.00 31.40 C ATOM 686 O VAL A 45 -2.361 3.562 -29.584 1.00 72.14 O ATOM 687 CB VAL A 45 -3.347 2.219 -26.696 1.00 62.01 C ATOM 688 CG1 VAL A 45 -3.919 2.371 -25.285 1.00 42.22 C ATOM 689 CG2 VAL A 45 -4.377 1.599 -27.642 1.00 33.43 C ATOM 0 H VAL A 45 -4.853 3.904 -27.741 1.00 70.40 H new ATOM 0 HA VAL A 45 -2.266 4.020 -26.433 1.00 72.04 H new ATOM 0 HB VAL A 45 -2.494 1.543 -26.640 1.00 62.01 H new ATOM 0 HG11 VAL A 45 -4.267 1.402 -24.927 1.00 42.22 H new ATOM 0 HG12 VAL A 45 -3.145 2.748 -24.617 1.00 42.22 H new ATOM 0 HG13 VAL A 45 -4.754 3.071 -25.304 1.00 42.22 H new ATOM 0 HG21 VAL A 45 -4.715 0.645 -27.237 1.00 33.43 H new ATOM 0 HG22 VAL A 45 -5.228 2.272 -27.745 1.00 33.43 H new ATOM 0 HG23 VAL A 45 -3.922 1.437 -28.619 1.00 33.43 H new ATOM 699 N ASN A 46 -0.663 3.129 -28.155 1.00 34.55 N ATOM 700 CA ASN A 46 0.326 2.961 -29.205 1.00 61.32 C ATOM 701 C ASN A 46 0.644 1.473 -29.368 1.00 31.03 C ATOM 702 O ASN A 46 1.756 1.110 -29.747 1.00 23.14 O ATOM 703 CB ASN A 46 1.627 3.687 -28.858 1.00 21.25 C ATOM 704 CG ASN A 46 2.188 3.197 -27.521 1.00 0.10 C ATOM 705 OD1 ASN A 46 2.526 2.038 -27.347 1.00 61.35 O ATOM 706 ND2 ASN A 46 2.268 4.142 -26.589 1.00 14.32 N ATOM 0 H ASN A 46 -0.304 3.009 -27.208 1.00 34.55 H new ATOM 0 HA ASN A 46 -0.085 3.378 -30.124 1.00 61.32 H new ATOM 0 HB2 ASN A 46 2.361 3.523 -29.647 1.00 21.25 H new ATOM 0 HB3 ASN A 46 1.447 4.761 -28.809 1.00 21.25 H new ATOM 0 HD21 ASN A 46 2.630 3.915 -25.663 1.00 14.32 H new ATOM 0 HD22 ASN A 46 1.968 5.094 -26.800 1.00 14.32 H new ATOM 713 N GLN A 47 -0.353 0.652 -29.073 1.00 14.00 N ATOM 714 CA GLN A 47 -0.194 -0.788 -29.182 1.00 32.24 C ATOM 715 C GLN A 47 -1.501 -1.496 -28.819 1.00 13.45 C ATOM 716 O GLN A 47 -2.360 -0.918 -28.154 1.00 21.05 O ATOM 717 CB GLN A 47 0.958 -1.280 -28.303 1.00 72.33 C ATOM 718 CG GLN A 47 0.854 -2.787 -28.056 1.00 12.55 C ATOM 719 CD GLN A 47 2.012 -3.280 -27.186 1.00 34.32 C ATOM 720 OE1 GLN A 47 2.700 -4.235 -27.507 1.00 61.00 O ATOM 721 NE2 GLN A 47 2.187 -2.579 -26.070 1.00 2.15 N ATOM 0 H GLN A 47 -1.274 0.957 -28.758 1.00 14.00 H new ATOM 0 HA GLN A 47 0.052 -1.029 -30.216 1.00 32.24 H new ATOM 0 HB2 GLN A 47 1.910 -1.051 -28.783 1.00 72.33 H new ATOM 0 HB3 GLN A 47 0.946 -0.750 -27.351 1.00 72.33 H new ATOM 0 HG2 GLN A 47 -0.094 -3.015 -27.569 1.00 12.55 H new ATOM 0 HG3 GLN A 47 0.859 -3.317 -29.009 1.00 12.55 H new ATOM 0 HE21 GLN A 47 1.575 -1.790 -25.862 1.00 2.15 H new ATOM 0 HE22 GLN A 47 2.934 -2.830 -25.422 1.00 2.15 H new ATOM 730 N VAL A 48 -1.611 -2.736 -29.271 1.00 52.01 N ATOM 731 CA VAL A 48 -2.799 -3.528 -29.002 1.00 72.32 C ATOM 732 C VAL A 48 -2.739 -4.059 -27.569 1.00 31.25 C ATOM 733 O VAL A 48 -1.936 -4.939 -27.262 1.00 33.31 O ATOM 734 CB VAL A 48 -2.935 -4.639 -30.046 1.00 1.12 C ATOM 735 CG1 VAL A 48 -3.682 -5.843 -29.471 1.00 34.44 C ATOM 736 CG2 VAL A 48 -3.621 -4.121 -31.312 1.00 1.15 C ATOM 0 H VAL A 48 -0.897 -3.212 -29.822 1.00 52.01 H new ATOM 0 HA VAL A 48 -3.695 -2.912 -29.083 1.00 72.32 H new ATOM 0 HB VAL A 48 -1.932 -4.967 -30.319 1.00 1.12 H new ATOM 0 HG11 VAL A 48 -3.765 -6.618 -30.233 1.00 34.44 H new ATOM 0 HG12 VAL A 48 -3.135 -6.235 -28.613 1.00 34.44 H new ATOM 0 HG13 VAL A 48 -4.679 -5.536 -29.156 1.00 34.44 H new ATOM 0 HG21 VAL A 48 -3.705 -4.930 -32.037 1.00 1.15 H new ATOM 0 HG22 VAL A 48 -4.616 -3.753 -31.062 1.00 1.15 H new ATOM 0 HG23 VAL A 48 -3.031 -3.310 -31.740 1.00 1.15 H new ATOM 746 N VAL A 49 -3.599 -3.502 -26.729 1.00 2.15 N ATOM 747 CA VAL A 49 -3.654 -3.908 -25.335 1.00 24.35 C ATOM 748 C VAL A 49 -4.969 -4.646 -25.074 1.00 3.50 C ATOM 749 O VAL A 49 -6.047 -4.080 -25.250 1.00 62.32 O ATOM 750 CB VAL A 49 -3.460 -2.692 -24.427 1.00 11.12 C ATOM 751 CG1 VAL A 49 -3.810 -1.397 -25.163 1.00 73.30 C ATOM 752 CG2 VAL A 49 -4.279 -2.831 -23.142 1.00 0.11 C ATOM 0 H VAL A 49 -4.264 -2.773 -26.987 1.00 2.15 H new ATOM 0 HA VAL A 49 -2.843 -4.599 -25.107 1.00 24.35 H new ATOM 0 HB VAL A 49 -2.407 -2.646 -24.150 1.00 11.12 H new ATOM 0 HG11 VAL A 49 -3.664 -0.548 -24.495 1.00 73.30 H new ATOM 0 HG12 VAL A 49 -3.165 -1.288 -26.035 1.00 73.30 H new ATOM 0 HG13 VAL A 49 -4.851 -1.431 -25.484 1.00 73.30 H new ATOM 0 HG21 VAL A 49 -4.123 -1.954 -22.514 1.00 0.11 H new ATOM 0 HG22 VAL A 49 -5.337 -2.915 -23.392 1.00 0.11 H new ATOM 0 HG23 VAL A 49 -3.961 -3.724 -22.603 1.00 0.11 H new ATOM 762 N PRO A 50 -4.833 -5.930 -24.648 1.00 0.25 N ATOM 763 CA PRO A 50 -5.997 -6.750 -24.361 1.00 34.20 C ATOM 764 C PRO A 50 -6.643 -6.342 -23.035 1.00 52.24 C ATOM 765 O PRO A 50 -6.030 -5.640 -22.233 1.00 15.44 O ATOM 766 CB PRO A 50 -5.480 -8.179 -24.354 1.00 63.31 C ATOM 767 CG PRO A 50 -3.974 -8.076 -24.175 1.00 63.20 C ATOM 768 CD PRO A 50 -3.572 -6.632 -24.428 1.00 31.23 C ATOM 0 HA PRO A 50 -6.788 -6.630 -25.101 1.00 34.20 H new ATOM 0 HB2 PRO A 50 -5.931 -8.754 -23.545 1.00 63.31 H new ATOM 0 HB3 PRO A 50 -5.729 -8.689 -25.285 1.00 63.31 H new ATOM 0 HG2 PRO A 50 -3.687 -8.381 -23.169 1.00 63.20 H new ATOM 0 HG3 PRO A 50 -3.461 -8.742 -24.868 1.00 63.20 H new ATOM 0 HD2 PRO A 50 -3.031 -6.217 -23.578 1.00 31.23 H new ATOM 0 HD3 PRO A 50 -2.916 -6.549 -25.295 1.00 31.23 H new ATOM 776 N MET A 51 -7.872 -6.799 -22.847 1.00 73.11 N ATOM 777 CA MET A 51 -8.608 -6.490 -21.633 1.00 21.34 C ATOM 778 C MET A 51 -7.950 -7.140 -20.413 1.00 54.22 C ATOM 779 O MET A 51 -7.796 -8.359 -20.362 1.00 74.13 O ATOM 780 CB MET A 51 -10.047 -6.993 -21.765 1.00 62.03 C ATOM 781 CG MET A 51 -10.824 -6.780 -20.465 1.00 11.13 C ATOM 782 SD MET A 51 -12.519 -7.298 -20.675 1.00 32.23 S ATOM 783 CE MET A 51 -12.281 -9.053 -20.899 1.00 13.01 C ATOM 0 H MET A 51 -8.377 -7.381 -23.515 1.00 73.11 H new ATOM 0 HA MET A 51 -8.603 -5.409 -21.493 1.00 21.34 H new ATOM 0 HB2 MET A 51 -10.546 -6.469 -22.581 1.00 62.03 H new ATOM 0 HB3 MET A 51 -10.044 -8.052 -22.021 1.00 62.03 H new ATOM 0 HG2 MET A 51 -10.360 -7.346 -19.657 1.00 11.13 H new ATOM 0 HG3 MET A 51 -10.789 -5.729 -20.179 1.00 11.13 H new ATOM 0 HE1 MET A 51 -13.199 -9.581 -20.640 1.00 13.01 H new ATOM 0 HE2 MET A 51 -12.027 -9.256 -21.939 1.00 13.01 H new ATOM 0 HE3 MET A 51 -11.472 -9.396 -20.254 1.00 13.01 H new ATOM 793 N GLY A 52 -7.580 -6.296 -19.461 1.00 33.21 N ATOM 794 CA GLY A 52 -6.943 -6.773 -18.245 1.00 41.12 C ATOM 795 C GLY A 52 -5.451 -6.432 -18.238 1.00 54.30 C ATOM 796 O GLY A 52 -4.808 -6.465 -17.190 1.00 73.30 O ATOM 0 H GLY A 52 -7.709 -5.285 -19.507 1.00 33.21 H new ATOM 0 HA2 GLY A 52 -7.426 -6.325 -17.377 1.00 41.12 H new ATOM 0 HA3 GLY A 52 -7.074 -7.852 -18.161 1.00 41.12 H new ATOM 800 N THR A 53 -4.945 -6.111 -19.419 1.00 64.15 N ATOM 801 CA THR A 53 -3.541 -5.764 -19.562 1.00 61.15 C ATOM 802 C THR A 53 -3.274 -4.373 -18.984 1.00 62.21 C ATOM 803 O THR A 53 -3.794 -3.378 -19.486 1.00 2.20 O ATOM 804 CB THR A 53 -3.172 -5.888 -21.042 1.00 64.10 C ATOM 805 OG1 THR A 53 -3.050 -7.292 -21.253 1.00 23.11 O ATOM 806 CG2 THR A 53 -1.774 -5.343 -21.344 1.00 73.25 C ATOM 0 H THR A 53 -5.482 -6.084 -20.286 1.00 64.15 H new ATOM 0 HA THR A 53 -2.906 -6.445 -18.995 1.00 61.15 H new ATOM 0 HB THR A 53 -3.908 -5.356 -21.645 1.00 64.10 H new ATOM 0 HG1 THR A 53 -2.201 -7.482 -21.705 1.00 23.11 H new ATOM 0 HG21 THR A 53 -1.562 -5.455 -22.407 1.00 73.25 H new ATOM 0 HG22 THR A 53 -1.729 -4.288 -21.074 1.00 73.25 H new ATOM 0 HG23 THR A 53 -1.035 -5.898 -20.766 1.00 73.25 H new ATOM 814 N THR A 54 -2.463 -4.349 -17.936 1.00 54.32 N ATOM 815 CA THR A 54 -2.121 -3.096 -17.284 1.00 61.30 C ATOM 816 C THR A 54 -1.672 -2.062 -18.318 1.00 50.11 C ATOM 817 O THR A 54 -0.887 -2.373 -19.212 1.00 62.02 O ATOM 818 CB THR A 54 -1.062 -3.391 -16.220 1.00 65.43 C ATOM 819 OG1 THR A 54 -1.481 -4.626 -15.646 1.00 65.43 O ATOM 820 CG2 THR A 54 -1.111 -2.402 -15.054 1.00 34.41 C ATOM 0 H THR A 54 -2.033 -5.177 -17.523 1.00 54.32 H new ATOM 0 HA THR A 54 -2.988 -2.658 -16.788 1.00 61.30 H new ATOM 0 HB THR A 54 -0.072 -3.364 -16.676 1.00 65.43 H new ATOM 0 HG1 THR A 54 -0.722 -5.051 -15.195 1.00 65.43 H new ATOM 0 HG21 THR A 54 -0.339 -2.657 -14.328 1.00 34.41 H new ATOM 0 HG22 THR A 54 -0.940 -1.392 -15.426 1.00 34.41 H new ATOM 0 HG23 THR A 54 -2.089 -2.451 -14.576 1.00 34.41 H new ATOM 828 N LEU A 55 -2.190 -0.853 -18.161 1.00 50.55 N ATOM 829 CA LEU A 55 -1.852 0.230 -19.070 1.00 74.35 C ATOM 830 C LEU A 55 -0.513 0.840 -18.654 1.00 44.14 C ATOM 831 O LEU A 55 -0.302 1.143 -17.481 1.00 22.51 O ATOM 832 CB LEU A 55 -2.995 1.245 -19.143 1.00 21.24 C ATOM 833 CG LEU A 55 -3.092 2.055 -20.437 1.00 63.20 C ATOM 834 CD1 LEU A 55 -2.898 1.157 -21.661 1.00 13.50 C ATOM 835 CD2 LEU A 55 -4.407 2.834 -20.499 1.00 72.44 C ATOM 0 H LEU A 55 -2.841 -0.599 -17.418 1.00 50.55 H new ATOM 0 HA LEU A 55 -1.728 -0.149 -20.085 1.00 74.35 H new ATOM 0 HB2 LEU A 55 -3.936 0.714 -18.999 1.00 21.24 H new ATOM 0 HB3 LEU A 55 -2.891 1.940 -18.310 1.00 21.24 H new ATOM 0 HG LEU A 55 -2.285 2.787 -20.444 1.00 63.20 H new ATOM 0 HD11 LEU A 55 -2.972 1.757 -22.568 1.00 13.50 H new ATOM 0 HD12 LEU A 55 -1.916 0.687 -21.616 1.00 13.50 H new ATOM 0 HD13 LEU A 55 -3.669 0.386 -21.673 1.00 13.50 H new ATOM 0 HD21 LEU A 55 -4.450 3.401 -21.429 1.00 72.44 H new ATOM 0 HD22 LEU A 55 -5.245 2.138 -20.459 1.00 72.44 H new ATOM 0 HD23 LEU A 55 -4.464 3.519 -19.653 1.00 72.44 H new ATOM 847 N MET A 56 0.358 1.003 -19.639 1.00 43.15 N ATOM 848 CA MET A 56 1.672 1.572 -19.390 1.00 50.04 C ATOM 849 C MET A 56 1.761 3.002 -19.926 1.00 54.42 C ATOM 850 O MET A 56 0.948 3.410 -20.754 1.00 53.52 O ATOM 851 CB MET A 56 2.739 0.707 -20.064 1.00 41.24 C ATOM 852 CG MET A 56 3.048 -0.535 -19.226 1.00 73.13 C ATOM 853 SD MET A 56 4.357 -0.179 -18.067 1.00 23.52 S ATOM 854 CE MET A 56 3.545 -0.616 -16.538 1.00 51.34 C ATOM 0 H MET A 56 0.180 0.751 -20.611 1.00 43.15 H new ATOM 0 HA MET A 56 1.838 1.597 -18.313 1.00 50.04 H new ATOM 0 HB2 MET A 56 2.396 0.406 -21.054 1.00 41.24 H new ATOM 0 HB3 MET A 56 3.649 1.290 -20.205 1.00 41.24 H new ATOM 0 HG2 MET A 56 2.154 -0.854 -18.691 1.00 73.13 H new ATOM 0 HG3 MET A 56 3.341 -1.359 -19.877 1.00 73.13 H new ATOM 0 HE1 MET A 56 3.942 -0.004 -15.728 1.00 51.34 H new ATOM 0 HE2 MET A 56 2.473 -0.442 -16.633 1.00 51.34 H new ATOM 0 HE3 MET A 56 3.724 -1.669 -16.319 1.00 51.34 H new ATOM 864 N PRO A 57 2.781 3.744 -19.419 1.00 4.13 N ATOM 865 CA PRO A 57 2.987 5.120 -19.837 1.00 52.22 C ATOM 866 C PRO A 57 3.594 5.182 -21.240 1.00 73.24 C ATOM 867 O PRO A 57 3.444 6.181 -21.942 1.00 74.33 O ATOM 868 CB PRO A 57 3.888 5.725 -18.773 1.00 61.21 C ATOM 869 CG PRO A 57 4.529 4.550 -18.053 1.00 64.53 C ATOM 870 CD PRO A 57 3.763 3.294 -18.437 1.00 24.15 C ATOM 0 HA PRO A 57 2.055 5.679 -19.915 1.00 52.22 H new ATOM 0 HB2 PRO A 57 4.645 6.368 -19.222 1.00 61.21 H new ATOM 0 HB3 PRO A 57 3.315 6.342 -18.081 1.00 61.21 H new ATOM 0 HG2 PRO A 57 5.578 4.458 -18.332 1.00 64.53 H new ATOM 0 HG3 PRO A 57 4.499 4.701 -16.974 1.00 64.53 H new ATOM 0 HD2 PRO A 57 4.427 2.539 -18.858 1.00 24.15 H new ATOM 0 HD3 PRO A 57 3.279 2.845 -17.570 1.00 24.15 H new ATOM 878 N ASP A 58 4.266 4.101 -21.607 1.00 63.04 N ATOM 879 CA ASP A 58 4.896 4.019 -22.914 1.00 44.42 C ATOM 880 C ASP A 58 3.971 3.272 -23.876 1.00 72.12 C ATOM 881 O ASP A 58 4.354 2.975 -25.007 1.00 32.44 O ATOM 882 CB ASP A 58 6.219 3.255 -22.841 1.00 24.40 C ATOM 883 CG ASP A 58 7.474 4.116 -22.996 1.00 0.51 C ATOM 884 OD1 ASP A 58 8.258 3.940 -23.940 1.00 73.35 O ATOM 885 OD2 ASP A 58 7.635 5.014 -22.083 1.00 61.31 O ATOM 0 H ASP A 58 4.388 3.274 -21.022 1.00 63.04 H new ATOM 0 HA ASP A 58 5.085 5.035 -23.261 1.00 44.42 H new ATOM 0 HB2 ASP A 58 6.269 2.736 -21.884 1.00 24.40 H new ATOM 0 HB3 ASP A 58 6.223 2.491 -23.618 1.00 24.40 H new ATOM 891 N MET A 59 2.770 2.990 -23.392 1.00 62.41 N ATOM 892 CA MET A 59 1.787 2.282 -24.195 1.00 11.51 C ATOM 893 C MET A 59 0.625 3.203 -24.574 1.00 72.54 C ATOM 894 O MET A 59 -0.437 2.732 -24.979 1.00 53.32 O ATOM 895 CB MET A 59 1.253 1.083 -23.409 1.00 2.20 C ATOM 896 CG MET A 59 2.152 -0.141 -23.599 1.00 11.54 C ATOM 897 SD MET A 59 1.205 -1.635 -23.366 1.00 32.45 S ATOM 898 CE MET A 59 0.225 -1.164 -21.950 1.00 20.11 C ATOM 0 H MET A 59 2.455 3.239 -22.454 1.00 62.41 H new ATOM 0 HA MET A 59 2.270 1.941 -25.111 1.00 11.51 H new ATOM 0 HB2 MET A 59 1.194 1.335 -22.350 1.00 2.20 H new ATOM 0 HB3 MET A 59 0.240 0.850 -23.738 1.00 2.20 H new ATOM 0 HG2 MET A 59 2.589 -0.130 -24.597 1.00 11.54 H new ATOM 0 HG3 MET A 59 2.978 -0.110 -22.889 1.00 11.54 H new ATOM 0 HE1 MET A 59 -0.560 -1.903 -21.788 1.00 20.11 H new ATOM 0 HE2 MET A 59 0.862 -1.112 -21.067 1.00 20.11 H new ATOM 0 HE3 MET A 59 -0.227 -0.188 -22.129 1.00 20.11 H new ATOM 908 N VAL A 60 0.866 4.497 -24.430 1.00 54.31 N ATOM 909 CA VAL A 60 -0.148 5.488 -24.753 1.00 23.53 C ATOM 910 C VAL A 60 0.503 6.651 -25.503 1.00 3.42 C ATOM 911 O VAL A 60 1.597 7.089 -25.148 1.00 71.23 O ATOM 912 CB VAL A 60 -0.873 5.928 -23.480 1.00 32.24 C ATOM 913 CG1 VAL A 60 -2.055 6.841 -23.810 1.00 53.03 C ATOM 914 CG2 VAL A 60 -1.327 4.718 -22.661 1.00 32.40 C ATOM 0 H VAL A 60 1.748 4.883 -24.094 1.00 54.31 H new ATOM 0 HA VAL A 60 -0.905 5.060 -25.411 1.00 23.53 H new ATOM 0 HB VAL A 60 -0.169 6.498 -22.874 1.00 32.24 H new ATOM 0 HG11 VAL A 60 -2.553 7.139 -22.887 1.00 53.03 H new ATOM 0 HG12 VAL A 60 -1.695 7.728 -24.331 1.00 53.03 H new ATOM 0 HG13 VAL A 60 -2.760 6.307 -24.447 1.00 53.03 H new ATOM 0 HG21 VAL A 60 -1.840 5.059 -21.761 1.00 32.40 H new ATOM 0 HG22 VAL A 60 -2.007 4.109 -23.257 1.00 32.40 H new ATOM 0 HG23 VAL A 60 -0.459 4.122 -22.380 1.00 32.40 H new ATOM 924 N LYS A 61 -0.197 7.120 -26.526 1.00 24.25 N ATOM 925 CA LYS A 61 0.300 8.225 -27.329 1.00 35.54 C ATOM 926 C LYS A 61 -0.093 9.547 -26.667 1.00 31.00 C ATOM 927 O LYS A 61 -1.098 9.618 -25.962 1.00 32.15 O ATOM 928 CB LYS A 61 -0.182 8.094 -28.775 1.00 63.21 C ATOM 929 CG LYS A 61 0.366 6.820 -29.422 1.00 51.01 C ATOM 930 CD LYS A 61 0.172 6.849 -30.939 1.00 73.35 C ATOM 931 CE LYS A 61 0.096 5.431 -31.509 1.00 71.14 C ATOM 932 NZ LYS A 61 0.235 5.456 -32.983 1.00 5.44 N ATOM 0 H LYS A 61 -1.104 6.755 -26.817 1.00 24.25 H new ATOM 0 HA LYS A 61 1.389 8.203 -27.377 1.00 35.54 H new ATOM 0 HB2 LYS A 61 -1.272 8.079 -28.799 1.00 63.21 H new ATOM 0 HB3 LYS A 61 0.137 8.964 -29.349 1.00 63.21 H new ATOM 0 HG2 LYS A 61 1.426 6.716 -29.189 1.00 51.01 H new ATOM 0 HG3 LYS A 61 -0.139 5.949 -29.004 1.00 51.01 H new ATOM 0 HD2 LYS A 61 -0.741 7.392 -31.182 1.00 73.35 H new ATOM 0 HD3 LYS A 61 0.997 7.388 -31.405 1.00 73.35 H new ATOM 0 HE2 LYS A 61 0.883 4.815 -31.074 1.00 71.14 H new ATOM 0 HE3 LYS A 61 -0.855 4.973 -31.235 1.00 71.14 H new ATOM 0 HZ1 LYS A 61 -0.279 4.651 -33.394 1.00 5.44 H new ATOM 0 HZ2 LYS A 61 -0.159 6.344 -33.354 1.00 5.44 H new ATOM 0 HZ3 LYS A 61 1.241 5.390 -33.238 1.00 5.44 H new ATOM 945 N GLY A 62 0.721 10.562 -26.918 1.00 75.02 N ATOM 946 CA GLY A 62 0.471 11.878 -26.356 1.00 11.33 C ATOM 947 C GLY A 62 0.249 11.796 -24.844 1.00 65.40 C ATOM 948 O GLY A 62 -0.333 12.700 -24.248 1.00 54.10 O ATOM 0 H GLY A 62 1.554 10.499 -27.503 1.00 75.02 H new ATOM 0 HA2 GLY A 62 1.315 12.534 -26.568 1.00 11.33 H new ATOM 0 HA3 GLY A 62 -0.404 12.320 -26.832 1.00 11.33 H new ATOM 952 N TYR A 63 0.727 10.702 -24.267 1.00 55.42 N ATOM 953 CA TYR A 63 0.588 10.490 -22.837 1.00 20.25 C ATOM 954 C TYR A 63 1.714 11.184 -22.067 1.00 51.15 C ATOM 955 O TYR A 63 2.650 11.709 -22.669 1.00 71.51 O ATOM 956 CB TYR A 63 0.696 8.979 -22.622 1.00 65.23 C ATOM 957 CG TYR A 63 0.949 8.573 -21.169 1.00 32.01 C ATOM 958 CD1 TYR A 63 2.236 8.551 -20.672 1.00 61.31 C ATOM 959 CD2 TYR A 63 -0.111 8.229 -20.354 1.00 52.14 C ATOM 960 CE1 TYR A 63 2.474 8.169 -19.304 1.00 74.32 C ATOM 961 CE2 TYR A 63 0.126 7.847 -18.987 1.00 3.15 C ATOM 962 CZ TYR A 63 1.407 7.836 -18.529 1.00 31.31 C ATOM 963 OH TYR A 63 1.631 7.475 -17.237 1.00 21.10 O ATOM 0 H TYR A 63 1.210 9.954 -24.764 1.00 55.42 H new ATOM 0 HA TYR A 63 -0.358 10.897 -22.479 1.00 20.25 H new ATOM 0 HB2 TYR A 63 -0.225 8.507 -22.965 1.00 65.23 H new ATOM 0 HB3 TYR A 63 1.504 8.591 -23.243 1.00 65.23 H new ATOM 0 HD1 TYR A 63 3.065 8.820 -21.309 1.00 61.31 H new ATOM 0 HD2 TYR A 63 -1.119 8.247 -20.743 1.00 52.14 H new ATOM 0 HE1 TYR A 63 3.476 8.147 -18.903 1.00 74.32 H new ATOM 0 HE2 TYR A 63 -0.694 7.575 -18.339 1.00 3.15 H new ATOM 0 HH TYR A 63 0.787 7.497 -16.740 1.00 21.10 H new ATOM 973 N ALA A 64 1.586 11.165 -20.749 1.00 21.21 N ATOM 974 CA ALA A 64 2.581 11.786 -19.891 1.00 62.04 C ATOM 975 C ALA A 64 2.060 11.819 -18.453 1.00 71.33 C ATOM 976 O ALA A 64 0.853 11.893 -18.228 1.00 51.43 O ATOM 977 CB ALA A 64 2.914 13.182 -20.423 1.00 32.51 C ATOM 0 H ALA A 64 0.808 10.729 -20.254 1.00 21.21 H new ATOM 0 HA ALA A 64 3.505 11.207 -19.893 1.00 62.04 H new ATOM 0 HB1 ALA A 64 3.660 13.648 -19.780 1.00 32.51 H new ATOM 0 HB2 ALA A 64 3.308 13.101 -21.436 1.00 32.51 H new ATOM 0 HB3 ALA A 64 2.011 13.793 -20.433 1.00 32.51 H new ATOM 983 N PRO A 65 3.020 11.760 -17.492 1.00 63.33 N ATOM 984 CA PRO A 65 2.671 11.782 -16.082 1.00 74.22 C ATOM 985 C PRO A 65 2.265 13.189 -15.640 1.00 5.43 C ATOM 986 O PRO A 65 2.492 14.160 -16.361 1.00 32.22 O ATOM 987 CB PRO A 65 3.906 11.265 -15.362 1.00 55.24 C ATOM 988 CG PRO A 65 5.054 11.413 -16.347 1.00 22.21 C ATOM 989 CD PRO A 65 4.459 11.671 -17.722 1.00 24.43 C ATOM 0 HA PRO A 65 1.805 11.161 -15.853 1.00 74.22 H new ATOM 0 HB2 PRO A 65 4.095 11.835 -14.453 1.00 55.24 H new ATOM 0 HB3 PRO A 65 3.778 10.224 -15.065 1.00 55.24 H new ATOM 0 HG2 PRO A 65 5.706 12.236 -16.053 1.00 22.21 H new ATOM 0 HG3 PRO A 65 5.665 10.511 -16.359 1.00 22.21 H new ATOM 0 HD2 PRO A 65 4.848 12.592 -18.156 1.00 24.43 H new ATOM 0 HD3 PRO A 65 4.700 10.865 -18.415 1.00 24.43 H new