USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1146 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: B 83 GLN : amide:sc= 0 K(o=2.1,f=1.2) USER MOD Set 1.2: B 98 ASN : amide:sc= 0.987 K(o=2.1,f=-4.4) USER MOD Set 1.3: B 102 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.0698) USER MOD Set 2.1: B 96 THR OG1 : rot -73:sc= 0.0397 USER MOD Set 2.2: B 105 TYR OH : rot 180:sc= 0.217 USER MOD Set 3.1: B 70 ASN : amide:sc= 0.662 K(o=1.3,f=-7.3!) USER MOD Set 3.2: B 103 ASN : amide:sc= 0.592 K(o=1.3,f=-7.3) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.128 (180deg=-0.614) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.563 (180deg=0.21) USER MOD Single : A 4 ASN : amide:sc= -0.665 K(o=-0.66,f=-7.2!) USER MOD Single : A 5 ASN : amide:sc= 0.781 K(o=0.78,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 0.8 (180deg=0.286) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 0.539 (180deg=0.292) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0693 (180deg=-0.409) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.622 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.5) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0.00596 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.271 K(o=0.27,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= -0.0182 (180deg=-0.189) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.138 USER MOD Single : A 62 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.48) USER MOD Single : A 64 GLN : amide:sc= -0.657 K(o=-0.66,f=-4.3!) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 71 ASN : amide:sc= 0.57 K(o=0.57,f=-1.3) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 169:sc=-0.00647 (180deg=-0.143) USER MOD Single : B 79 LYS NZ :NH3+ 148:sc= 1.28 (180deg=1.14) USER MOD Single : B 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 84 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.088) USER MOD Single : B 104 LYS NZ :NH3+ 158:sc= -0.168 (180deg=-0.731) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.0389 K(o=-0.039,f=-1) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot -121:sc= 1.28 USER MOD Single : B 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 121 THR OG1 : rot -150:sc= -0.164 USER MOD Single : B 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.99 K(o=-0.99,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.890 -5.872 5.304 1.00 4.52 N ATOM 2 CA MET A 1 11.989 -6.893 5.838 1.00 15.43 C ATOM 3 C MET A 1 10.592 -6.348 5.994 1.00 54.41 C ATOM 4 O MET A 1 10.396 -5.151 6.229 1.00 33.23 O ATOM 5 CB MET A 1 12.470 -7.436 7.189 1.00 32.24 C ATOM 6 CG MET A 1 13.744 -8.256 7.128 1.00 0.23 C ATOM 7 SD MET A 1 14.240 -8.884 8.753 1.00 54.32 S ATOM 8 CE MET A 1 14.562 -7.350 9.632 1.00 74.51 C ATOM 0 H1 MET A 1 13.804 -5.924 5.797 1.00 4.52 H new ATOM 0 H2 MET A 1 13.035 -6.035 4.287 1.00 4.52 H new ATOM 0 H3 MET A 1 12.472 -4.931 5.448 1.00 4.52 H new ATOM 0 HA MET A 1 11.985 -7.712 5.119 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.627 -6.597 7.867 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.679 -8.050 7.620 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.601 -9.094 6.446 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.547 -7.644 6.717 1.00 0.23 H new ATOM 0 HE1 MET A 1 15.183 -7.554 10.504 1.00 74.51 H new ATOM 0 HE2 MET A 1 15.080 -6.654 8.972 1.00 74.51 H new ATOM 0 HE3 MET A 1 13.618 -6.910 9.954 1.00 74.51 H new ATOM 20 N ILE A 2 9.636 -7.216 5.846 1.00 22.43 N ATOM 21 CA ILE A 2 8.247 -6.884 6.014 1.00 32.41 C ATOM 22 C ILE A 2 7.729 -7.625 7.229 1.00 45.13 C ATOM 23 O ILE A 2 8.042 -8.799 7.430 1.00 32.11 O ATOM 24 CB ILE A 2 7.391 -7.245 4.746 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.897 -6.481 3.504 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.897 -6.979 4.968 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.845 -4.966 3.626 1.00 54.01 C ATOM 0 H ILE A 2 9.799 -8.193 5.601 1.00 22.43 H new ATOM 0 HA ILE A 2 8.157 -5.806 6.152 1.00 32.41 H new ATOM 0 HB ILE A 2 7.512 -8.314 4.571 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.926 -6.781 3.304 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.303 -6.783 2.641 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.343 -7.242 4.067 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.540 -7.582 5.803 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.745 -5.923 5.192 1.00 51.03 H new ATOM 0 HD11 ILE A 2 8.219 -4.514 2.708 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.815 -4.650 3.793 1.00 54.01 H new ATOM 0 HD13 ILE A 2 8.463 -4.647 4.465 1.00 54.01 H new ATOM 39 N ILE A 3 6.977 -6.948 8.033 1.00 31.31 N ATOM 40 CA ILE A 3 6.413 -7.497 9.228 1.00 25.12 C ATOM 41 C ILE A 3 4.914 -7.398 9.061 1.00 13.31 C ATOM 42 O ILE A 3 4.385 -6.324 8.825 1.00 33.20 O ATOM 43 CB ILE A 3 6.889 -6.697 10.476 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.429 -6.756 10.569 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.243 -7.238 11.752 1.00 51.22 C ATOM 46 CD1 ILE A 3 9.030 -5.935 11.687 1.00 2.41 C ATOM 0 H ILE A 3 6.730 -5.971 7.875 1.00 31.31 H new ATOM 0 HA ILE A 3 6.726 -8.530 9.382 1.00 25.12 H new ATOM 0 HB ILE A 3 6.580 -5.657 10.369 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.731 -7.795 10.698 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.849 -6.417 9.622 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.592 -6.662 12.609 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.159 -7.153 11.675 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.517 -8.285 11.883 1.00 51.22 H new ATOM 0 HD11 ILE A 3 10.115 -6.039 11.672 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.764 -4.887 11.552 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.645 -6.286 12.644 1.00 2.41 H new ATOM 58 N ASN A 4 4.244 -8.493 9.109 1.00 20.22 N ATOM 59 CA ASN A 4 2.830 -8.508 8.826 1.00 24.23 C ATOM 60 C ASN A 4 2.026 -8.573 10.105 1.00 32.00 C ATOM 61 O ASN A 4 2.244 -9.458 10.938 1.00 60.31 O ATOM 62 CB ASN A 4 2.528 -9.694 7.922 1.00 41.35 C ATOM 63 CG ASN A 4 1.083 -9.805 7.529 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.367 -8.824 7.464 1.00 51.44 O ATOM 65 ND2 ASN A 4 0.657 -11.000 7.253 1.00 33.01 N ATOM 0 H ASN A 4 4.643 -9.402 9.342 1.00 20.22 H new ATOM 0 HA ASN A 4 2.546 -7.587 8.318 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.135 -9.615 7.020 1.00 41.35 H new ATOM 0 HB3 ASN A 4 2.828 -10.611 8.429 1.00 41.35 H new ATOM 0 HD21 ASN A 4 -0.312 -11.143 6.969 1.00 33.01 H new ATOM 0 HD22 ASN A 4 1.291 -11.796 7.320 1.00 33.01 H new ATOM 72 N ASN A 5 1.085 -7.662 10.245 1.00 65.43 N ATOM 73 CA ASN A 5 0.271 -7.553 11.451 1.00 54.20 C ATOM 74 C ASN A 5 -1.166 -7.893 11.115 1.00 74.31 C ATOM 75 O ASN A 5 -2.068 -7.623 11.901 1.00 70.34 O ATOM 76 CB ASN A 5 0.290 -6.115 12.002 1.00 72.22 C ATOM 77 CG ASN A 5 1.655 -5.582 12.356 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.550 -6.317 12.776 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.826 -4.300 12.192 1.00 62.53 N ATOM 0 H ASN A 5 0.858 -6.973 9.528 1.00 65.43 H new ATOM 0 HA ASN A 5 0.679 -8.237 12.195 1.00 54.20 H new ATOM 0 HB2 ASN A 5 -0.160 -5.453 11.262 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.340 -6.075 12.891 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.725 -3.873 12.414 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.060 -3.724 11.842 1.00 62.53 H new ATOM 86 N LEU A 6 -1.372 -8.497 9.949 1.00 31.42 N ATOM 87 CA LEU A 6 -2.705 -8.860 9.442 1.00 41.12 C ATOM 88 C LEU A 6 -3.511 -9.623 10.512 1.00 32.41 C ATOM 89 O LEU A 6 -4.694 -9.335 10.733 1.00 15.34 O ATOM 90 CB LEU A 6 -2.541 -9.669 8.112 1.00 22.14 C ATOM 91 CG LEU A 6 -3.790 -10.041 7.272 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.576 -11.183 7.878 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.684 -8.829 7.068 1.00 33.32 C ATOM 0 H LEU A 6 -0.614 -8.754 9.317 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.279 -7.960 9.220 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.874 -9.099 7.466 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.028 -10.598 8.359 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.427 -10.380 6.302 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.440 -11.403 7.251 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -3.941 -12.067 7.945 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.914 -10.903 8.876 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.554 -9.114 6.476 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -5.012 -8.452 8.037 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -4.128 -8.051 6.545 1.00 33.32 H new ATOM 105 N LYS A 7 -2.864 -10.560 11.185 1.00 14.34 N ATOM 106 CA LYS A 7 -3.506 -11.312 12.252 1.00 42.10 C ATOM 107 C LYS A 7 -3.895 -10.413 13.439 1.00 53.11 C ATOM 108 O LYS A 7 -4.994 -10.530 13.955 1.00 74.22 O ATOM 109 CB LYS A 7 -2.647 -12.519 12.701 1.00 5.41 C ATOM 110 CG LYS A 7 -1.247 -12.178 13.223 1.00 35.52 C ATOM 111 CD LYS A 7 -0.452 -13.441 13.550 1.00 25.45 C ATOM 112 CE LYS A 7 -1.092 -14.241 14.674 1.00 12.21 C ATOM 113 NZ LYS A 7 -0.395 -15.524 14.918 1.00 61.12 N ATOM 0 H LYS A 7 -1.893 -10.819 11.011 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.433 -11.713 11.843 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.186 -13.055 13.482 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.544 -13.203 11.858 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.711 -11.592 12.476 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.331 -11.558 14.115 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -0.378 -14.064 12.658 1.00 25.45 H new ATOM 0 HD3 LYS A 7 0.564 -13.167 13.833 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -1.086 -13.647 15.588 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -2.136 -14.438 14.428 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -0.867 -16.034 15.692 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -0.422 -16.103 14.055 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 0.594 -15.337 15.179 1.00 61.12 H new ATOM 127 N LEU A 8 -3.002 -9.505 13.832 1.00 3.54 N ATOM 128 CA LEU A 8 -3.237 -8.579 14.951 1.00 24.22 C ATOM 129 C LEU A 8 -4.455 -7.686 14.648 1.00 33.32 C ATOM 130 O LEU A 8 -5.343 -7.531 15.490 1.00 35.35 O ATOM 131 CB LEU A 8 -1.944 -7.727 15.177 1.00 15.15 C ATOM 132 CG LEU A 8 -1.774 -6.928 16.507 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.798 -5.814 16.684 1.00 50.24 C ATOM 134 CD2 LEU A 8 -1.783 -7.862 17.704 1.00 34.11 C ATOM 0 H LEU A 8 -2.092 -9.387 13.386 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.456 -9.134 15.863 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.090 -8.399 15.088 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.875 -7.013 14.356 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.802 -6.439 16.442 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.619 -5.302 17.629 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.707 -5.103 15.863 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.802 -6.239 16.686 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -1.663 -7.282 18.619 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -2.730 -8.401 17.738 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -0.963 -8.574 17.616 1.00 34.11 H new ATOM 146 N ILE A 9 -4.515 -7.147 13.437 1.00 72.34 N ATOM 147 CA ILE A 9 -5.641 -6.292 13.028 1.00 55.53 C ATOM 148 C ILE A 9 -6.938 -7.104 13.003 1.00 3.21 C ATOM 149 O ILE A 9 -8.003 -6.629 13.422 1.00 40.20 O ATOM 150 CB ILE A 9 -5.394 -5.547 11.648 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.421 -4.356 11.798 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.696 -5.045 11.028 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.026 -4.693 12.246 1.00 1.24 C ATOM 0 H ILE A 9 -3.804 -7.281 12.718 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.731 -5.503 13.775 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.948 -6.290 10.987 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.358 -3.842 10.839 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.849 -3.651 12.511 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.480 -4.542 10.086 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.361 -5.889 10.845 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.178 -4.345 11.711 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.435 -3.779 12.315 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.064 -5.175 13.223 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.566 -5.369 11.525 1.00 1.24 H new ATOM 165 N ARG A 10 -6.837 -8.332 12.558 1.00 23.44 N ATOM 166 CA ARG A 10 -7.976 -9.213 12.546 1.00 2.23 C ATOM 167 C ARG A 10 -8.454 -9.575 13.928 1.00 61.23 C ATOM 168 O ARG A 10 -9.629 -9.813 14.103 1.00 0.10 O ATOM 169 CB ARG A 10 -7.750 -10.440 11.709 1.00 24.15 C ATOM 170 CG ARG A 10 -7.896 -10.187 10.232 1.00 71.12 C ATOM 171 CD ARG A 10 -7.624 -11.439 9.457 1.00 32.20 C ATOM 172 NE ARG A 10 -8.416 -12.572 9.933 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.265 -13.813 9.508 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.644 -14.041 8.367 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.801 -14.811 10.178 1.00 51.23 N ATOM 0 H ARG A 10 -5.976 -8.744 12.199 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.776 -8.643 12.074 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.751 -10.828 11.907 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.458 -11.213 12.010 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.903 -9.830 10.016 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.206 -9.403 9.921 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.841 -11.265 8.403 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.564 -11.684 9.528 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.131 -12.392 10.638 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.283 -13.261 7.818 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.524 -14.998 8.034 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.334 -14.627 11.028 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.683 -15.769 9.848 1.00 51.23 H new ATOM 189 N GLU A 11 -7.545 -9.699 14.884 1.00 3.43 N ATOM 190 CA GLU A 11 -7.928 -9.909 16.274 1.00 32.25 C ATOM 191 C GLU A 11 -8.542 -8.649 16.877 1.00 23.22 C ATOM 192 O GLU A 11 -9.366 -8.723 17.792 1.00 24.24 O ATOM 193 CB GLU A 11 -6.781 -10.427 17.114 1.00 73.21 C ATOM 194 CG GLU A 11 -6.221 -11.730 16.596 1.00 31.54 C ATOM 195 CD GLU A 11 -5.248 -12.356 17.536 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.223 -11.737 17.865 1.00 73.43 O ATOM 197 OE2 GLU A 11 -5.500 -13.492 17.984 1.00 52.20 O ATOM 0 H GLU A 11 -6.538 -9.658 14.724 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.693 -10.685 16.279 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.988 -9.680 17.139 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.121 -10.565 18.140 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -7.041 -12.425 16.413 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.732 -11.554 15.638 1.00 31.54 H new ATOM 204 N LYS A 12 -8.052 -7.496 16.436 1.00 12.34 N ATOM 205 CA LYS A 12 -8.615 -6.202 16.817 1.00 0.30 C ATOM 206 C LYS A 12 -10.109 -6.106 16.408 1.00 41.03 C ATOM 207 O LYS A 12 -10.934 -5.539 17.129 1.00 70.21 O ATOM 208 CB LYS A 12 -7.749 -5.077 16.230 1.00 31.15 C ATOM 209 CG LYS A 12 -8.209 -3.664 16.532 1.00 63.14 C ATOM 210 CD LYS A 12 -7.116 -2.647 16.216 1.00 63.03 C ATOM 211 CE LYS A 12 -6.661 -2.686 14.760 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.579 -1.718 14.522 1.00 22.43 N ATOM 0 H LYS A 12 -7.254 -7.430 15.805 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.598 -6.093 17.901 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -6.732 -5.195 16.603 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -7.709 -5.202 15.148 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -9.101 -3.437 15.948 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -8.488 -3.587 17.583 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -7.481 -1.647 16.449 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -6.258 -2.832 16.863 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -6.318 -3.690 14.509 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -7.504 -2.464 14.105 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.083 -1.961 13.641 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -5.980 -0.762 14.441 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.908 -1.745 15.316 1.00 22.43 H new ATOM 226 N LYS A 13 -10.442 -6.663 15.272 1.00 11.23 N ATOM 227 CA LYS A 13 -11.841 -6.843 14.873 1.00 71.54 C ATOM 228 C LYS A 13 -12.140 -8.316 15.122 1.00 62.41 C ATOM 229 O LYS A 13 -11.432 -8.934 15.904 1.00 22.21 O ATOM 230 CB LYS A 13 -12.025 -6.481 13.386 1.00 24.24 C ATOM 231 CG LYS A 13 -11.714 -5.022 13.061 1.00 24.13 C ATOM 232 CD LYS A 13 -12.608 -4.077 13.859 1.00 4.22 C ATOM 233 CE LYS A 13 -12.276 -2.611 13.600 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.497 -2.213 12.191 1.00 54.41 N ATOM 0 H LYS A 13 -9.766 -7.008 14.591 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.518 -6.198 15.433 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.381 -7.122 12.784 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.053 -6.697 13.094 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.668 -4.812 13.284 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -11.855 -4.846 11.994 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.651 -4.262 13.601 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.500 -4.289 14.923 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -12.887 -1.985 14.250 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.235 -2.426 13.866 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.691 -1.192 12.145 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.647 -2.430 11.632 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.308 -2.737 11.805 1.00 54.41 H new ATOM 248 N LYS A 14 -13.174 -8.906 14.584 1.00 71.43 N ATOM 249 CA LYS A 14 -13.259 -10.346 14.675 1.00 32.42 C ATOM 250 C LYS A 14 -13.763 -10.927 13.373 1.00 13.24 C ATOM 251 O LYS A 14 -14.903 -11.357 13.257 1.00 5.54 O ATOM 252 CB LYS A 14 -14.085 -10.814 15.898 1.00 73.24 C ATOM 253 CG LYS A 14 -15.418 -10.105 16.082 1.00 40.21 C ATOM 254 CD LYS A 14 -16.144 -10.622 17.306 1.00 43.22 C ATOM 255 CE LYS A 14 -17.383 -9.794 17.622 1.00 70.42 C ATOM 256 NZ LYS A 14 -17.038 -8.389 17.938 1.00 23.43 N ATOM 0 H LYS A 14 -13.940 -8.441 14.098 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.253 -10.732 14.842 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -14.269 -11.884 15.805 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.487 -10.671 16.798 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.253 -9.032 16.179 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -16.038 -10.253 15.198 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -16.433 -11.661 17.145 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.469 -10.607 18.162 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -18.064 -9.819 16.771 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.911 -10.237 18.466 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.834 -7.939 18.434 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -16.194 -8.367 18.546 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.843 -7.873 17.056 1.00 23.43 H new ATOM 270 N ILE A 15 -12.930 -10.856 12.376 1.00 13.13 N ATOM 271 CA ILE A 15 -13.270 -11.334 11.059 1.00 43.54 C ATOM 272 C ILE A 15 -12.277 -12.412 10.675 1.00 51.30 C ATOM 273 O ILE A 15 -11.062 -12.229 10.846 1.00 65.41 O ATOM 274 CB ILE A 15 -13.219 -10.184 10.007 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.107 -9.005 10.445 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.665 -10.694 8.640 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.077 -7.818 9.503 1.00 1.24 C ATOM 0 H ILE A 15 -11.991 -10.464 12.449 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.286 -11.727 11.075 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.189 -9.835 9.935 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.135 -9.355 10.538 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.792 -8.676 11.435 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.624 -9.880 7.917 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.004 -11.499 8.318 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.686 -11.069 8.707 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.729 -7.033 9.886 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.058 -7.439 9.428 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.422 -8.128 8.517 1.00 1.24 H new ATOM 289 N SER A 16 -12.769 -13.509 10.174 1.00 2.42 N ATOM 290 CA SER A 16 -11.937 -14.609 9.817 1.00 41.31 C ATOM 291 C SER A 16 -11.720 -14.686 8.292 1.00 13.21 C ATOM 292 O SER A 16 -12.214 -13.818 7.535 1.00 35.13 O ATOM 293 CB SER A 16 -12.507 -15.892 10.401 1.00 43.33 C ATOM 294 OG SER A 16 -12.583 -15.798 11.828 1.00 71.34 O ATOM 0 H SER A 16 -13.763 -13.661 10.003 1.00 2.42 H new ATOM 0 HA SER A 16 -10.946 -14.462 10.246 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.499 -16.078 9.989 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.880 -16.738 10.118 1.00 43.33 H new ATOM 0 HG SER A 16 -12.953 -16.630 12.191 1.00 71.34 H new ATOM 300 N GLN A 17 -10.992 -15.713 7.852 1.00 45.12 N ATOM 301 CA GLN A 17 -10.569 -15.845 6.461 1.00 65.34 C ATOM 302 C GLN A 17 -11.720 -15.929 5.474 1.00 13.44 C ATOM 303 O GLN A 17 -11.668 -15.297 4.426 1.00 12.11 O ATOM 304 CB GLN A 17 -9.610 -17.032 6.253 1.00 30.22 C ATOM 305 CG GLN A 17 -10.167 -18.382 6.683 1.00 4.43 C ATOM 306 CD GLN A 17 -9.303 -19.542 6.244 1.00 53.31 C ATOM 307 OE1 GLN A 17 -9.500 -20.099 5.173 1.00 72.33 O ATOM 308 NE2 GLN A 17 -8.328 -19.884 7.029 1.00 45.23 N ATOM 0 H GLN A 17 -10.680 -16.476 8.452 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.034 -14.919 6.250 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -9.342 -17.084 5.198 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.691 -16.840 6.807 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -10.266 -18.400 7.768 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -11.168 -18.505 6.270 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -8.193 -19.398 7.915 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -7.697 -20.639 6.760 1.00 45.23 H new ATOM 317 N SER A 18 -12.762 -16.674 5.806 1.00 55.44 N ATOM 318 CA SER A 18 -13.856 -16.895 4.884 1.00 52.11 C ATOM 319 C SER A 18 -14.604 -15.596 4.605 1.00 62.21 C ATOM 320 O SER A 18 -14.957 -15.309 3.456 1.00 10.02 O ATOM 321 CB SER A 18 -14.794 -17.954 5.457 1.00 45.03 C ATOM 322 OG SER A 18 -14.037 -19.072 5.951 1.00 21.34 O ATOM 0 H SER A 18 -12.870 -17.135 6.709 1.00 55.44 H new ATOM 0 HA SER A 18 -13.456 -17.251 3.935 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.390 -17.525 6.262 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.490 -18.288 4.688 1.00 45.03 H new ATOM 0 HG SER A 18 -14.648 -19.744 6.318 1.00 21.34 H new ATOM 328 N GLU A 19 -14.812 -14.811 5.642 1.00 50.43 N ATOM 329 CA GLU A 19 -15.488 -13.548 5.500 1.00 3.23 C ATOM 330 C GLU A 19 -14.651 -12.588 4.666 1.00 41.23 C ATOM 331 O GLU A 19 -15.153 -11.983 3.720 1.00 11.14 O ATOM 332 CB GLU A 19 -15.835 -12.914 6.855 1.00 33.34 C ATOM 333 CG GLU A 19 -16.603 -13.817 7.816 1.00 42.23 C ATOM 334 CD GLU A 19 -15.706 -14.723 8.639 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.323 -15.822 8.163 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.372 -14.339 9.781 1.00 64.25 O ATOM 0 H GLU A 19 -14.519 -15.031 6.594 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.429 -13.745 4.986 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -14.910 -12.599 7.338 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.424 -12.015 6.677 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.197 -13.198 8.489 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.302 -14.430 7.247 1.00 42.23 H new ATOM 343 N LEU A 20 -13.362 -12.483 4.985 1.00 73.22 N ATOM 344 CA LEU A 20 -12.475 -11.603 4.233 1.00 10.22 C ATOM 345 C LEU A 20 -12.344 -12.021 2.791 1.00 65.33 C ATOM 346 O LEU A 20 -12.283 -11.178 1.920 1.00 30.50 O ATOM 347 CB LEU A 20 -11.099 -11.479 4.879 1.00 32.54 C ATOM 348 CG LEU A 20 -11.041 -10.663 6.163 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.628 -10.635 6.698 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.535 -9.243 5.912 1.00 23.21 C ATOM 0 H LEU A 20 -12.915 -12.990 5.749 1.00 73.22 H new ATOM 0 HA LEU A 20 -12.944 -10.619 4.255 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.726 -12.481 5.091 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.418 -11.032 4.155 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.689 -11.132 6.903 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.598 -10.049 7.616 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.298 -11.653 6.906 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -8.968 -10.183 5.958 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.488 -8.672 6.839 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.906 -8.767 5.160 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.565 -9.274 5.557 1.00 23.21 H new ATOM 362 N ALA A 21 -12.329 -13.319 2.546 1.00 4.44 N ATOM 363 CA ALA A 21 -12.249 -13.843 1.193 1.00 14.42 C ATOM 364 C ALA A 21 -13.415 -13.332 0.354 1.00 35.03 C ATOM 365 O ALA A 21 -13.216 -12.829 -0.759 1.00 72.55 O ATOM 366 CB ALA A 21 -12.229 -15.362 1.215 1.00 1.41 C ATOM 0 H ALA A 21 -12.371 -14.035 3.272 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.322 -13.494 0.739 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -12.169 -15.740 0.194 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.363 -15.706 1.781 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -13.140 -15.731 1.685 1.00 1.41 H new ATOM 372 N ALA A 22 -14.613 -13.399 0.917 1.00 4.14 N ATOM 373 CA ALA A 22 -15.810 -12.923 0.244 1.00 53.23 C ATOM 374 C ALA A 22 -15.749 -11.408 -0.003 1.00 34.22 C ATOM 375 O ALA A 22 -16.146 -10.931 -1.068 1.00 30.41 O ATOM 376 CB ALA A 22 -17.050 -13.289 1.046 1.00 24.13 C ATOM 0 H ALA A 22 -14.781 -13.782 1.847 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.867 -13.413 -0.728 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.938 -12.926 0.529 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -17.109 -14.372 1.151 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -16.993 -12.832 2.034 1.00 24.13 H new ATOM 382 N LEU A 23 -15.216 -10.668 0.965 1.00 71.12 N ATOM 383 CA LEU A 23 -15.101 -9.205 0.857 1.00 42.20 C ATOM 384 C LEU A 23 -14.026 -8.795 -0.139 1.00 63.22 C ATOM 385 O LEU A 23 -14.203 -7.850 -0.903 1.00 30.24 O ATOM 386 CB LEU A 23 -14.779 -8.558 2.226 1.00 60.54 C ATOM 387 CG LEU A 23 -15.950 -8.178 3.159 1.00 63.34 C ATOM 388 CD1 LEU A 23 -16.833 -9.353 3.483 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.419 -7.560 4.444 1.00 50.33 C ATOM 0 H LEU A 23 -14.854 -11.053 1.838 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.070 -8.850 0.506 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -14.130 -9.244 2.771 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.200 -7.654 2.037 1.00 60.54 H new ATOM 0 HG LEU A 23 -16.560 -7.450 2.624 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.640 -9.031 4.141 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.255 -9.756 2.562 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -16.245 -10.124 3.980 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -16.254 -7.296 5.093 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -14.775 -8.277 4.954 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.847 -6.663 4.207 1.00 50.33 H new ATOM 401 N LEU A 24 -12.915 -9.502 -0.138 1.00 61.11 N ATOM 402 CA LEU A 24 -11.788 -9.166 -0.999 1.00 33.50 C ATOM 403 C LEU A 24 -11.922 -9.776 -2.394 1.00 13.04 C ATOM 404 O LEU A 24 -11.024 -9.609 -3.229 1.00 54.12 O ATOM 405 CB LEU A 24 -10.479 -9.635 -0.358 1.00 1.13 C ATOM 406 CG LEU A 24 -10.208 -9.175 1.080 1.00 1.25 C ATOM 407 CD1 LEU A 24 -8.891 -9.734 1.571 1.00 24.05 C ATOM 408 CD2 LEU A 24 -10.229 -7.663 1.199 1.00 43.42 C ATOM 0 H LEU A 24 -12.763 -10.320 0.452 1.00 61.11 H new ATOM 0 HA LEU A 24 -11.781 -8.082 -1.111 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -10.464 -10.725 -0.374 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -9.654 -9.296 -0.984 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.010 -9.561 1.710 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -8.712 -9.399 2.593 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -8.926 -10.823 1.547 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.084 -9.383 0.928 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.033 -7.377 2.232 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -9.462 -7.236 0.552 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -11.207 -7.288 0.898 1.00 43.42 H new ATOM 420 N GLU A 25 -13.024 -10.505 -2.622 1.00 45.33 N ATOM 421 CA GLU A 25 -13.344 -11.143 -3.924 1.00 22.43 C ATOM 422 C GLU A 25 -12.344 -12.266 -4.233 1.00 63.31 C ATOM 423 O GLU A 25 -12.139 -12.628 -5.405 1.00 72.53 O ATOM 424 CB GLU A 25 -13.280 -10.134 -5.087 1.00 34.10 C ATOM 425 CG GLU A 25 -14.166 -8.911 -5.001 1.00 74.02 C ATOM 426 CD GLU A 25 -13.916 -8.012 -6.189 1.00 63.23 C ATOM 427 OE1 GLU A 25 -12.798 -7.469 -6.308 1.00 54.24 O ATOM 428 OE2 GLU A 25 -14.786 -7.899 -7.072 1.00 73.13 O ATOM 0 H GLU A 25 -13.730 -10.675 -1.906 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.357 -11.536 -3.836 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -12.248 -9.796 -5.182 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -13.528 -10.665 -6.006 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -15.214 -9.211 -4.975 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -13.966 -8.370 -4.076 1.00 74.02 H new ATOM 435 N VAL A 26 -11.761 -12.847 -3.213 1.00 33.53 N ATOM 436 CA VAL A 26 -10.715 -13.830 -3.408 1.00 2.41 C ATOM 437 C VAL A 26 -11.057 -15.124 -2.717 1.00 32.32 C ATOM 438 O VAL A 26 -12.053 -15.214 -2.012 1.00 23.34 O ATOM 439 CB VAL A 26 -9.324 -13.336 -2.918 1.00 63.23 C ATOM 440 CG1 VAL A 26 -8.850 -12.145 -3.729 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.351 -12.999 -1.428 1.00 4.10 C ATOM 0 H VAL A 26 -11.991 -12.658 -2.237 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.650 -13.992 -4.484 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.615 -14.150 -3.066 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -7.875 -11.821 -3.364 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -8.769 -12.428 -4.778 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -9.565 -11.328 -3.628 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.365 -12.657 -1.114 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.083 -12.212 -1.246 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.624 -13.888 -0.859 1.00 4.10 H new ATOM 451 N SER A 27 -10.246 -16.113 -2.932 1.00 35.42 N ATOM 452 CA SER A 27 -10.425 -17.386 -2.317 1.00 0.14 C ATOM 453 C SER A 27 -9.790 -17.367 -0.921 1.00 54.44 C ATOM 454 O SER A 27 -8.949 -16.498 -0.624 1.00 24.14 O ATOM 455 CB SER A 27 -9.772 -18.428 -3.203 1.00 23.34 C ATOM 456 OG SER A 27 -10.215 -18.264 -4.555 1.00 1.11 O ATOM 0 H SER A 27 -9.434 -16.056 -3.546 1.00 35.42 H new ATOM 0 HA SER A 27 -11.482 -17.624 -2.202 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.687 -18.333 -3.152 1.00 23.34 H new ATOM 0 HB3 SER A 27 -10.021 -19.428 -2.848 1.00 23.34 H new ATOM 0 HG SER A 27 -9.788 -18.939 -5.123 1.00 1.11 H new ATOM 462 N ARG A 28 -10.196 -18.282 -0.059 1.00 33.45 N ATOM 463 CA ARG A 28 -9.662 -18.329 1.300 1.00 2.32 C ATOM 464 C ARG A 28 -8.157 -18.586 1.316 1.00 72.10 C ATOM 465 O ARG A 28 -7.449 -18.074 2.174 1.00 61.25 O ATOM 466 CB ARG A 28 -10.402 -19.324 2.172 1.00 73.14 C ATOM 467 CG ARG A 28 -11.897 -19.093 2.217 1.00 54.32 C ATOM 468 CD ARG A 28 -12.551 -19.877 3.328 1.00 53.33 C ATOM 469 NE ARG A 28 -12.236 -21.305 3.311 1.00 21.14 N ATOM 470 CZ ARG A 28 -12.211 -22.070 4.415 1.00 13.43 C ATOM 471 NH1 ARG A 28 -12.598 -21.554 5.592 1.00 20.31 N ATOM 472 NH2 ARG A 28 -11.866 -23.346 4.336 1.00 44.34 N ATOM 0 H ARG A 28 -10.889 -19.000 -0.269 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.827 -17.341 1.730 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -10.209 -20.332 1.804 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -10.004 -19.273 3.185 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -12.097 -18.030 2.355 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.338 -19.379 1.262 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -12.242 -19.458 4.286 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.632 -19.753 3.260 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.024 -21.743 2.414 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -12.910 -20.584 5.646 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -12.580 -22.132 6.433 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -11.618 -23.752 3.434 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -11.849 -23.923 5.177 1.00 44.34 H new ATOM 486 N GLN A 29 -7.679 -19.356 0.352 1.00 63.51 N ATOM 487 CA GLN A 29 -6.252 -19.628 0.190 1.00 73.10 C ATOM 488 C GLN A 29 -5.481 -18.320 -0.032 1.00 21.43 C ATOM 489 O GLN A 29 -4.369 -18.151 0.477 1.00 63.01 O ATOM 490 CB GLN A 29 -6.055 -20.641 -0.976 1.00 14.11 C ATOM 491 CG GLN A 29 -4.613 -21.056 -1.310 1.00 34.33 C ATOM 492 CD GLN A 29 -3.856 -20.040 -2.157 1.00 13.43 C ATOM 493 OE1 GLN A 29 -4.444 -19.317 -2.965 1.00 35.21 O ATOM 494 NE2 GLN A 29 -2.567 -19.993 -2.004 1.00 24.53 N ATOM 0 H GLN A 29 -8.268 -19.813 -0.344 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.849 -20.078 1.098 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.620 -21.543 -0.739 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.500 -20.213 -1.874 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -4.068 -21.217 -0.380 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.633 -22.010 -1.837 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -2.111 -20.605 -1.327 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -2.011 -19.344 -2.561 1.00 24.53 H new ATOM 503 N THR A 30 -6.099 -17.392 -0.746 1.00 21.22 N ATOM 504 CA THR A 30 -5.493 -16.125 -1.046 1.00 0.23 C ATOM 505 C THR A 30 -5.289 -15.322 0.253 1.00 24.14 C ATOM 506 O THR A 30 -4.182 -14.865 0.544 1.00 5.35 O ATOM 507 CB THR A 30 -6.401 -15.328 -2.004 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.891 -16.209 -3.037 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.630 -14.180 -2.648 1.00 50.43 C ATOM 0 H THR A 30 -7.037 -17.506 -1.130 1.00 21.22 H new ATOM 0 HA THR A 30 -4.526 -16.296 -1.520 1.00 0.23 H new ATOM 0 HB THR A 30 -7.233 -14.915 -1.434 1.00 71.41 H new ATOM 0 HG1 THR A 30 -7.192 -15.678 -3.804 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.289 -13.631 -3.320 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.262 -13.509 -1.872 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.787 -14.579 -3.212 1.00 50.43 H new ATOM 517 N ILE A 31 -6.352 -15.192 1.049 1.00 3.24 N ATOM 518 CA ILE A 31 -6.272 -14.440 2.297 1.00 15.23 C ATOM 519 C ILE A 31 -5.408 -15.165 3.349 1.00 54.43 C ATOM 520 O ILE A 31 -4.654 -14.519 4.081 1.00 12.25 O ATOM 521 CB ILE A 31 -7.688 -14.034 2.863 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.581 -13.227 4.173 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.593 -15.233 3.048 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.867 -11.895 4.030 1.00 15.23 C ATOM 0 H ILE A 31 -7.269 -15.594 0.852 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.768 -13.503 2.058 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.141 -13.388 2.111 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.585 -13.048 4.559 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -7.057 -13.829 4.915 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.556 -14.905 3.439 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.741 -15.729 2.089 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -8.135 -15.930 3.750 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.836 -11.393 4.997 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.850 -12.064 3.676 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.402 -11.271 3.314 1.00 15.23 H new ATOM 536 N ASN A 32 -5.479 -16.496 3.386 1.00 30.33 N ATOM 537 CA ASN A 32 -4.644 -17.291 4.307 1.00 60.42 C ATOM 538 C ASN A 32 -3.169 -17.100 3.970 1.00 3.24 C ATOM 539 O ASN A 32 -2.310 -16.999 4.861 1.00 13.11 O ATOM 540 CB ASN A 32 -5.021 -18.789 4.269 1.00 64.50 C ATOM 541 CG ASN A 32 -4.165 -19.645 5.206 1.00 24.43 C ATOM 542 OD1 ASN A 32 -4.475 -19.792 6.390 1.00 33.15 O ATOM 543 ND2 ASN A 32 -3.132 -20.266 4.686 1.00 74.02 N ATOM 0 H ASN A 32 -6.100 -17.050 2.796 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.827 -16.935 5.321 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -6.071 -18.901 4.541 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.915 -19.159 3.249 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.566 -20.887 5.265 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -2.896 -20.128 3.703 1.00 74.02 H new ATOM 550 N GLY A 33 -2.888 -17.016 2.677 1.00 32.15 N ATOM 551 CA GLY A 33 -1.547 -16.762 2.215 1.00 62.40 C ATOM 552 C GLY A 33 -1.064 -15.393 2.663 1.00 51.22 C ATOM 553 O GLY A 33 0.123 -15.211 2.986 1.00 73.51 O ATOM 0 H GLY A 33 -3.579 -17.122 1.934 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.876 -17.531 2.597 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.516 -16.824 1.127 1.00 62.40 H new ATOM 557 N ILE A 34 -1.975 -14.429 2.685 1.00 55.13 N ATOM 558 CA ILE A 34 -1.675 -13.081 3.139 1.00 14.23 C ATOM 559 C ILE A 34 -1.471 -13.054 4.659 1.00 12.31 C ATOM 560 O ILE A 34 -0.572 -12.374 5.141 1.00 62.21 O ATOM 561 CB ILE A 34 -2.786 -12.057 2.722 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.915 -11.974 1.186 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.522 -10.668 3.311 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.651 -11.526 0.470 1.00 51.13 C ATOM 0 H ILE A 34 -2.942 -14.561 2.388 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.749 -12.777 2.651 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.729 -12.421 3.129 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.205 -12.953 0.805 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.721 -11.284 0.939 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.313 -9.985 3.001 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.504 -10.732 4.399 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.561 -10.298 2.953 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -1.833 -11.496 -0.604 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.368 -10.532 0.818 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.844 -12.228 0.682 1.00 51.13 H new ATOM 576 N GLU A 35 -2.273 -13.832 5.404 1.00 42.35 N ATOM 577 CA GLU A 35 -2.150 -13.897 6.880 1.00 14.13 C ATOM 578 C GLU A 35 -0.760 -14.308 7.305 1.00 62.12 C ATOM 579 O GLU A 35 -0.220 -13.804 8.298 1.00 33.44 O ATOM 580 CB GLU A 35 -3.068 -14.971 7.457 1.00 72.22 C ATOM 581 CG GLU A 35 -4.546 -14.779 7.285 1.00 22.14 C ATOM 582 CD GLU A 35 -5.315 -15.902 7.951 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.837 -16.429 8.979 1.00 12.42 O ATOM 584 OE2 GLU A 35 -6.435 -16.228 7.505 1.00 14.03 O ATOM 0 H GLU A 35 -3.010 -14.423 5.018 1.00 42.35 H new ATOM 0 HA GLU A 35 -2.402 -12.900 7.240 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.797 -15.925 7.004 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.861 -15.054 8.524 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.845 -13.823 7.714 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.792 -14.743 6.224 1.00 22.14 H new ATOM 591 N LYS A 36 -0.180 -15.187 6.553 1.00 72.42 N ATOM 592 CA LYS A 36 1.130 -15.694 6.882 1.00 3.42 C ATOM 593 C LYS A 36 2.198 -15.003 6.059 1.00 64.33 C ATOM 594 O LYS A 36 3.364 -15.416 6.073 1.00 74.05 O ATOM 595 CB LYS A 36 1.177 -17.217 6.677 1.00 71.34 C ATOM 596 CG LYS A 36 0.059 -17.985 7.403 1.00 73.40 C ATOM 597 CD LYS A 36 -0.010 -17.636 8.891 1.00 3.32 C ATOM 598 CE LYS A 36 1.252 -18.020 9.642 1.00 11.20 C ATOM 599 NZ LYS A 36 1.213 -17.556 11.038 1.00 30.21 N ATOM 0 H LYS A 36 -0.587 -15.575 5.702 1.00 72.42 H new ATOM 0 HA LYS A 36 1.330 -15.481 7.932 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.116 -17.431 5.610 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.142 -17.589 7.022 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.899 -17.759 6.934 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.224 -19.056 7.290 1.00 73.40 H new ATOM 0 HD2 LYS A 36 -0.182 -16.565 9.001 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.864 -18.144 9.340 1.00 3.32 H new ATOM 0 HE2 LYS A 36 1.373 -19.103 9.621 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.120 -17.592 9.140 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 2.090 -17.835 11.521 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 1.122 -16.520 11.057 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 0.399 -17.984 11.524 1.00 30.21 H new ATOM 613 N ASN A 37 1.783 -13.923 5.348 1.00 21.34 N ATOM 614 CA ASN A 37 2.631 -13.124 4.416 1.00 41.10 C ATOM 615 C ASN A 37 3.478 -14.019 3.519 1.00 30.41 C ATOM 616 O ASN A 37 4.538 -13.641 3.043 1.00 2.25 O ATOM 617 CB ASN A 37 3.479 -12.017 5.138 1.00 42.23 C ATOM 618 CG ASN A 37 4.519 -12.517 6.137 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.222 -12.696 7.330 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.734 -12.680 5.695 1.00 15.22 N ATOM 0 H ASN A 37 0.827 -13.573 5.406 1.00 21.34 H new ATOM 0 HA ASN A 37 1.943 -12.579 3.769 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.989 -11.425 4.378 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.796 -11.346 5.660 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.476 -12.963 6.335 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.943 -12.525 4.709 1.00 15.22 H new ATOM 627 N LYS A 38 2.898 -15.148 3.178 1.00 23.05 N ATOM 628 CA LYS A 38 3.554 -16.201 2.439 1.00 71.21 C ATOM 629 C LYS A 38 3.264 -16.004 0.967 1.00 63.12 C ATOM 630 O LYS A 38 3.995 -16.452 0.101 1.00 54.40 O ATOM 631 CB LYS A 38 2.980 -17.544 2.919 1.00 54.41 C ATOM 632 CG LYS A 38 3.587 -18.787 2.288 1.00 51.33 C ATOM 633 CD LYS A 38 2.874 -20.048 2.761 1.00 14.11 C ATOM 634 CE LYS A 38 1.411 -20.063 2.322 1.00 53.22 C ATOM 635 NZ LYS A 38 0.686 -21.229 2.852 1.00 30.43 N ATOM 0 H LYS A 38 1.930 -15.364 3.414 1.00 23.05 H new ATOM 0 HA LYS A 38 4.632 -16.186 2.596 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.110 -17.608 3.999 1.00 54.41 H new ATOM 0 HB3 LYS A 38 1.907 -17.549 2.726 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.523 -18.715 1.202 1.00 51.33 H new ATOM 0 HG3 LYS A 38 4.645 -18.847 2.542 1.00 51.33 H new ATOM 0 HD2 LYS A 38 3.383 -20.926 2.363 1.00 14.11 H new ATOM 0 HD3 LYS A 38 2.929 -20.112 3.848 1.00 14.11 H new ATOM 0 HE2 LYS A 38 0.922 -19.149 2.659 1.00 53.22 H new ATOM 0 HE3 LYS A 38 1.360 -20.069 1.233 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 -0.302 -21.199 2.530 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 1.136 -22.102 2.510 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 0.712 -21.211 3.892 1.00 30.43 H new ATOM 649 N TYR A 39 2.198 -15.295 0.717 1.00 74.05 N ATOM 650 CA TYR A 39 1.712 -15.035 -0.616 1.00 12.53 C ATOM 651 C TYR A 39 2.384 -13.772 -1.180 1.00 13.41 C ATOM 652 O TYR A 39 2.397 -13.555 -2.397 1.00 2.12 O ATOM 653 CB TYR A 39 0.200 -14.816 -0.492 1.00 73.50 C ATOM 654 CG TYR A 39 -0.599 -14.910 -1.758 1.00 32.23 C ATOM 655 CD1 TYR A 39 -1.089 -16.134 -2.177 1.00 62.14 C ATOM 656 CD2 TYR A 39 -0.891 -13.790 -2.517 1.00 33.20 C ATOM 657 CE1 TYR A 39 -1.841 -16.246 -3.314 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.644 -13.894 -3.662 1.00 1.32 C ATOM 659 CZ TYR A 39 -2.117 -15.129 -4.054 1.00 33.11 C ATOM 660 OH TYR A 39 -2.873 -15.244 -5.201 1.00 24.32 O ATOM 0 H TYR A 39 1.628 -14.871 1.449 1.00 74.05 H new ATOM 0 HA TYR A 39 1.936 -15.862 -1.289 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.193 -15.547 0.214 1.00 73.50 H new ATOM 0 HB3 TYR A 39 0.033 -13.831 -0.056 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.874 -17.018 -1.595 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.523 -12.823 -2.206 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -2.215 -17.210 -3.626 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -1.864 -13.015 -4.250 1.00 1.32 H new ATOM 0 HH TYR A 39 -2.981 -14.361 -5.612 1.00 24.32 H new ATOM 670 N ASN A 40 2.992 -12.991 -0.267 1.00 43.42 N ATOM 671 CA ASN A 40 3.548 -11.649 -0.534 1.00 41.25 C ATOM 672 C ASN A 40 2.410 -10.680 -0.830 1.00 40.41 C ATOM 673 O ASN A 40 1.713 -10.810 -1.838 1.00 21.44 O ATOM 674 CB ASN A 40 4.624 -11.615 -1.652 1.00 44.44 C ATOM 675 CG ASN A 40 5.273 -10.230 -1.801 1.00 2.30 C ATOM 676 OD1 ASN A 40 6.247 -9.915 -1.119 1.00 64.13 O ATOM 677 ND2 ASN A 40 4.771 -9.410 -2.697 1.00 53.45 N ATOM 0 H ASN A 40 3.114 -13.283 0.703 1.00 43.42 H new ATOM 0 HA ASN A 40 4.077 -11.341 0.368 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.396 -12.353 -1.432 1.00 44.44 H new ATOM 0 HB3 ASN A 40 4.168 -11.903 -2.599 1.00 44.44 H new ATOM 0 HD21 ASN A 40 5.190 -8.491 -2.838 1.00 53.45 H new ATOM 0 HD22 ASN A 40 3.963 -9.693 -3.251 1.00 53.45 H new ATOM 684 N PRO A 41 2.185 -9.716 0.058 1.00 2.41 N ATOM 685 CA PRO A 41 1.072 -8.776 -0.059 1.00 33.40 C ATOM 686 C PRO A 41 1.148 -7.890 -1.306 1.00 61.13 C ATOM 687 O PRO A 41 2.003 -7.000 -1.404 1.00 2.50 O ATOM 688 CB PRO A 41 1.168 -7.921 1.216 1.00 23.24 C ATOM 689 CG PRO A 41 2.054 -8.696 2.132 1.00 52.51 C ATOM 690 CD PRO A 41 3.001 -9.439 1.249 1.00 12.41 C ATOM 0 HA PRO A 41 0.126 -9.308 -0.162 1.00 33.40 H new ATOM 0 HB2 PRO A 41 1.585 -6.937 1.001 1.00 23.24 H new ATOM 0 HB3 PRO A 41 0.185 -7.761 1.659 1.00 23.24 H new ATOM 0 HG2 PRO A 41 2.591 -8.033 2.811 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.474 -9.382 2.749 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.881 -8.843 1.007 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.357 -10.356 1.718 1.00 12.41 H new ATOM 698 N SER A 42 0.297 -8.186 -2.272 1.00 32.11 N ATOM 699 CA SER A 42 0.158 -7.367 -3.447 1.00 31.54 C ATOM 700 C SER A 42 -0.564 -6.095 -3.017 1.00 35.33 C ATOM 701 O SER A 42 -1.390 -6.152 -2.091 1.00 31.14 O ATOM 702 CB SER A 42 -0.674 -8.123 -4.466 1.00 33.24 C ATOM 703 OG SER A 42 -0.187 -9.450 -4.621 1.00 63.24 O ATOM 0 H SER A 42 -0.314 -9.003 -2.257 1.00 32.11 H new ATOM 0 HA SER A 42 1.123 -7.124 -3.892 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.716 -8.147 -4.148 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.645 -7.605 -5.424 1.00 33.24 H new ATOM 0 HG SER A 42 -0.735 -9.925 -5.280 1.00 63.24 H new ATOM 709 N LEU A 43 -0.299 -4.981 -3.673 1.00 41.22 N ATOM 710 CA LEU A 43 -0.847 -3.719 -3.223 1.00 3.42 C ATOM 711 C LEU A 43 -2.356 -3.693 -3.330 1.00 71.35 C ATOM 712 O LEU A 43 -3.001 -3.320 -2.389 1.00 31.14 O ATOM 713 CB LEU A 43 -0.164 -2.500 -3.902 1.00 34.44 C ATOM 714 CG LEU A 43 -0.543 -1.067 -3.392 1.00 23.40 C ATOM 715 CD1 LEU A 43 -1.850 -0.563 -4.000 1.00 22.03 C ATOM 716 CD2 LEU A 43 -0.631 -1.038 -1.851 1.00 44.53 C ATOM 0 H LEU A 43 0.284 -4.925 -4.508 1.00 41.22 H new ATOM 0 HA LEU A 43 -0.615 -3.628 -2.162 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.914 -2.619 -3.795 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -0.385 -2.544 -4.968 1.00 34.44 H new ATOM 0 HG LEU A 43 0.253 -0.397 -3.718 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -2.070 0.433 -3.616 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -1.754 -0.521 -5.085 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -2.661 -1.241 -3.734 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -0.895 -0.033 -1.520 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -1.393 -1.742 -1.517 1.00 44.53 H new ATOM 0 HD23 LEU A 43 0.333 -1.318 -1.426 1.00 44.53 H new ATOM 728 N GLN A 44 -2.912 -4.120 -4.452 1.00 2.30 N ATOM 729 CA GLN A 44 -4.369 -4.130 -4.633 1.00 25.44 C ATOM 730 C GLN A 44 -5.070 -4.937 -3.531 1.00 14.52 C ATOM 731 O GLN A 44 -6.098 -4.515 -2.997 1.00 12.34 O ATOM 732 CB GLN A 44 -4.756 -4.680 -6.021 1.00 43.20 C ATOM 733 CG GLN A 44 -4.402 -3.791 -7.232 1.00 23.12 C ATOM 734 CD GLN A 44 -2.912 -3.521 -7.428 1.00 1.11 C ATOM 735 OE1 GLN A 44 -2.055 -4.336 -7.066 1.00 21.35 O ATOM 736 NE2 GLN A 44 -2.600 -2.393 -8.013 1.00 45.30 N ATOM 0 H GLN A 44 -2.385 -4.465 -5.254 1.00 2.30 H new ATOM 0 HA GLN A 44 -4.706 -3.096 -4.563 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.271 -5.647 -6.153 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -5.831 -4.859 -6.031 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -4.791 -4.263 -8.134 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -4.917 -2.836 -7.124 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -3.335 -1.746 -8.298 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -1.622 -2.161 -8.185 1.00 45.30 H new ATOM 745 N LEU A 45 -4.501 -6.083 -3.190 1.00 33.52 N ATOM 746 CA LEU A 45 -5.025 -6.909 -2.105 1.00 33.42 C ATOM 747 C LEU A 45 -4.896 -6.200 -0.764 1.00 12.12 C ATOM 748 O LEU A 45 -5.847 -6.145 0.001 1.00 53.21 O ATOM 749 CB LEU A 45 -4.365 -8.307 -2.052 1.00 75.22 C ATOM 750 CG LEU A 45 -4.760 -9.323 -3.150 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.264 -9.535 -3.182 1.00 72.44 C ATOM 752 CD2 LEU A 45 -4.236 -8.929 -4.524 1.00 1.23 C ATOM 0 H LEU A 45 -3.674 -6.466 -3.648 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.083 -7.064 -2.315 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.284 -8.171 -2.092 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.595 -8.751 -1.084 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.284 -10.268 -2.889 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -6.514 -10.254 -3.963 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -6.598 -9.917 -2.217 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.761 -8.587 -3.389 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.541 -9.675 -5.258 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.643 -7.957 -4.804 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -3.148 -8.872 -4.496 1.00 1.23 H new ATOM 764 N ALA A 46 -3.741 -5.607 -0.523 1.00 72.35 N ATOM 765 CA ALA A 46 -3.475 -4.882 0.720 1.00 41.10 C ATOM 766 C ALA A 46 -4.421 -3.689 0.843 1.00 44.34 C ATOM 767 O ALA A 46 -4.953 -3.402 1.914 1.00 24.52 O ATOM 768 CB ALA A 46 -2.026 -4.418 0.758 1.00 4.33 C ATOM 0 H ALA A 46 -2.959 -5.610 -1.177 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.646 -5.551 1.563 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -1.841 -3.880 1.688 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.365 -5.283 0.701 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -1.833 -3.758 -0.088 1.00 4.33 H new ATOM 774 N LEU A 47 -4.646 -3.045 -0.282 1.00 33.43 N ATOM 775 CA LEU A 47 -5.491 -1.880 -0.420 1.00 23.45 C ATOM 776 C LEU A 47 -6.935 -2.201 -0.037 1.00 50.21 C ATOM 777 O LEU A 47 -7.567 -1.460 0.718 1.00 21.23 O ATOM 778 CB LEU A 47 -5.337 -1.405 -1.897 1.00 32.41 C ATOM 779 CG LEU A 47 -6.302 -0.383 -2.498 1.00 61.44 C ATOM 780 CD1 LEU A 47 -5.619 0.292 -3.676 1.00 11.43 C ATOM 781 CD2 LEU A 47 -7.569 -1.072 -3.015 1.00 70.53 C ATOM 0 H LEU A 47 -4.225 -3.333 -1.165 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.196 -1.079 0.257 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.333 -0.994 -1.997 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -5.382 -2.295 -2.525 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.574 0.339 -1.728 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -6.294 1.025 -4.117 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -4.714 0.793 -3.333 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -5.358 -0.457 -4.424 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -8.242 -0.326 -3.438 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -7.301 -1.797 -3.784 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -8.067 -1.584 -2.191 1.00 70.53 H new ATOM 793 N LYS A 48 -7.449 -3.307 -0.536 1.00 52.33 N ATOM 794 CA LYS A 48 -8.789 -3.709 -0.180 1.00 54.10 C ATOM 795 C LYS A 48 -8.891 -4.168 1.270 1.00 25.41 C ATOM 796 O LYS A 48 -9.892 -3.913 1.935 1.00 42.33 O ATOM 797 CB LYS A 48 -9.429 -4.673 -1.186 1.00 63.32 C ATOM 798 CG LYS A 48 -8.608 -5.893 -1.555 1.00 23.52 C ATOM 799 CD LYS A 48 -9.360 -6.761 -2.545 1.00 64.34 C ATOM 800 CE LYS A 48 -9.693 -6.002 -3.826 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.601 -6.770 -4.687 1.00 33.32 N ATOM 0 H LYS A 48 -6.966 -3.933 -1.180 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.402 -2.810 -0.247 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.382 -5.011 -0.779 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.650 -4.120 -2.099 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.656 -5.581 -1.986 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.379 -6.469 -0.658 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.760 -7.638 -2.788 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.281 -7.121 -2.086 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.151 -5.045 -3.575 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -8.774 -5.782 -4.369 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -10.165 -6.902 -5.622 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.785 -7.699 -4.257 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.498 -6.254 -4.793 1.00 33.32 H new ATOM 815 N ILE A 49 -7.838 -4.813 1.763 1.00 54.11 N ATOM 816 CA ILE A 49 -7.784 -5.243 3.166 1.00 1.24 C ATOM 817 C ILE A 49 -7.873 -4.020 4.081 1.00 2.41 C ATOM 818 O ILE A 49 -8.615 -4.025 5.074 1.00 64.12 O ATOM 819 CB ILE A 49 -6.477 -6.044 3.476 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.473 -7.375 2.719 1.00 62.35 C ATOM 821 CG2 ILE A 49 -6.303 -6.279 4.974 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.205 -8.185 2.888 1.00 35.31 C ATOM 0 H ILE A 49 -7.010 -5.051 1.217 1.00 54.11 H new ATOM 0 HA ILE A 49 -8.630 -5.906 3.348 1.00 1.24 H new ATOM 0 HB ILE A 49 -5.633 -5.444 3.137 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.320 -7.973 3.055 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.625 -7.176 1.658 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -5.384 -6.838 5.150 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -6.248 -5.320 5.489 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.152 -6.847 5.354 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.286 -9.111 2.319 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.354 -7.609 2.524 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.060 -8.418 3.943 1.00 35.31 H new ATOM 834 N ALA A 50 -7.173 -2.966 3.689 1.00 44.20 N ATOM 835 CA ALA A 50 -7.155 -1.710 4.416 1.00 11.21 C ATOM 836 C ALA A 50 -8.552 -1.154 4.542 1.00 70.10 C ATOM 837 O ALA A 50 -8.969 -0.725 5.609 1.00 34.45 O ATOM 838 CB ALA A 50 -6.297 -0.709 3.684 1.00 53.40 C ATOM 0 H ALA A 50 -6.596 -2.961 2.848 1.00 44.20 H new ATOM 0 HA ALA A 50 -6.748 -1.894 5.410 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.287 0.232 4.234 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.280 -1.093 3.602 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.703 -0.542 2.686 1.00 53.40 H new ATOM 844 N TYR A 51 -9.267 -1.184 3.447 1.00 50.04 N ATOM 845 CA TYR A 51 -10.605 -0.680 3.395 1.00 11.22 C ATOM 846 C TYR A 51 -11.599 -1.568 4.178 1.00 40.54 C ATOM 847 O TYR A 51 -12.331 -1.081 5.035 1.00 51.22 O ATOM 848 CB TYR A 51 -11.034 -0.531 1.931 1.00 31.54 C ATOM 849 CG TYR A 51 -12.463 -0.120 1.763 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.838 1.208 1.800 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.439 -1.073 1.589 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.158 1.570 1.667 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.757 -0.726 1.462 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.112 0.596 1.500 1.00 45.04 C ATOM 855 OH TYR A 51 -16.427 0.947 1.378 1.00 12.24 O ATOM 0 H TYR A 51 -8.930 -1.563 2.562 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.619 0.296 3.880 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.394 0.206 1.447 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.875 -1.479 1.416 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.086 1.971 1.935 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.160 -2.116 1.552 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.442 2.612 1.694 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.511 -1.489 1.333 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.972 0.140 1.266 1.00 12.24 H new ATOM 865 N TYR A 52 -11.603 -2.863 3.895 1.00 52.41 N ATOM 866 CA TYR A 52 -12.563 -3.802 4.500 1.00 3.45 C ATOM 867 C TYR A 52 -12.388 -4.001 6.001 1.00 25.43 C ATOM 868 O TYR A 52 -13.341 -4.329 6.704 1.00 40.30 O ATOM 869 CB TYR A 52 -12.669 -5.113 3.708 1.00 51.32 C ATOM 870 CG TYR A 52 -13.359 -4.891 2.369 1.00 74.11 C ATOM 871 CD1 TYR A 52 -14.734 -4.705 2.307 1.00 25.42 C ATOM 872 CD2 TYR A 52 -12.644 -4.830 1.183 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.372 -4.459 1.111 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.274 -4.592 -0.024 1.00 0.00 C ATOM 875 CZ TYR A 52 -14.642 -4.405 -0.052 1.00 75.33 C ATOM 876 OH TYR A 52 -15.283 -4.127 -1.242 1.00 10.50 O ATOM 0 H TYR A 52 -10.949 -3.299 3.245 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.536 -3.318 4.419 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -11.673 -5.523 3.543 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.225 -5.849 4.289 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.315 -4.754 3.216 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -11.573 -4.971 1.202 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.441 -4.309 1.088 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -12.701 -4.553 -0.938 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.630 -4.123 -1.972 1.00 10.50 H new ATOM 886 N LEU A 53 -11.185 -3.821 6.480 1.00 43.52 N ATOM 887 CA LEU A 53 -10.927 -3.884 7.921 1.00 35.04 C ATOM 888 C LEU A 53 -10.937 -2.474 8.525 1.00 52.42 C ATOM 889 O LEU A 53 -10.979 -2.309 9.755 1.00 34.31 O ATOM 890 CB LEU A 53 -9.596 -4.594 8.215 1.00 34.25 C ATOM 891 CG LEU A 53 -9.537 -6.085 7.849 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.151 -6.644 8.103 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.564 -6.868 8.650 1.00 30.33 C ATOM 0 H LEU A 53 -10.362 -3.630 5.908 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.723 -4.467 8.385 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -8.803 -4.076 7.676 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.379 -4.492 9.278 1.00 34.25 H new ATOM 0 HG LEU A 53 -9.765 -6.183 6.788 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.131 -7.701 7.837 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.424 -6.103 7.497 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -7.900 -6.530 9.158 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.510 -7.922 8.379 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.358 -6.756 9.714 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.562 -6.488 8.432 1.00 30.33 H new ATOM 904 N ASN A 54 -10.975 -1.481 7.627 1.00 23.44 N ATOM 905 CA ASN A 54 -10.881 -0.041 7.929 1.00 34.54 C ATOM 906 C ASN A 54 -9.713 0.237 8.852 1.00 23.31 C ATOM 907 O ASN A 54 -9.867 0.430 10.066 1.00 53.04 O ATOM 908 CB ASN A 54 -12.192 0.575 8.465 1.00 0.13 C ATOM 909 CG ASN A 54 -12.122 2.106 8.561 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.703 2.667 9.574 1.00 41.33 O ATOM 911 ND2 ASN A 54 -12.539 2.786 7.518 1.00 61.11 N ATOM 0 H ASN A 54 -11.076 -1.663 6.629 1.00 23.44 H new ATOM 0 HA ASN A 54 -10.702 0.458 6.977 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.017 0.292 7.812 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.409 0.161 9.450 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -12.521 3.806 7.534 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -12.881 2.294 6.692 1.00 61.11 H new ATOM 918 N THR A 55 -8.546 0.129 8.311 1.00 45.02 N ATOM 919 CA THR A 55 -7.336 0.307 9.050 1.00 24.13 C ATOM 920 C THR A 55 -6.271 0.812 8.072 1.00 75.14 C ATOM 921 O THR A 55 -6.274 0.399 6.913 1.00 45.22 O ATOM 922 CB THR A 55 -6.893 -1.067 9.658 1.00 33.24 C ATOM 923 OG1 THR A 55 -7.995 -1.667 10.360 1.00 22.11 O ATOM 924 CG2 THR A 55 -5.753 -0.892 10.634 1.00 53.13 C ATOM 0 H THR A 55 -8.401 -0.089 7.325 1.00 45.02 H new ATOM 0 HA THR A 55 -7.475 1.019 9.863 1.00 24.13 H new ATOM 0 HB THR A 55 -6.568 -1.702 8.834 1.00 33.24 H new ATOM 0 HG1 THR A 55 -7.656 -2.337 10.990 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.468 -1.863 11.039 1.00 53.13 H new ATOM 0 HG22 THR A 55 -4.900 -0.448 10.121 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.067 -0.238 11.447 1.00 53.13 H new ATOM 932 N PRO A 56 -5.415 1.762 8.477 1.00 2.53 N ATOM 933 CA PRO A 56 -4.323 2.241 7.629 1.00 62.14 C ATOM 934 C PRO A 56 -3.367 1.115 7.274 1.00 22.43 C ATOM 935 O PRO A 56 -3.122 0.215 8.100 1.00 73.34 O ATOM 936 CB PRO A 56 -3.592 3.262 8.509 1.00 52.13 C ATOM 937 CG PRO A 56 -4.045 2.965 9.893 1.00 3.21 C ATOM 938 CD PRO A 56 -5.449 2.470 9.762 1.00 22.03 C ATOM 0 HA PRO A 56 -4.691 2.653 6.689 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -2.511 3.161 8.417 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -3.843 4.283 8.221 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.408 2.215 10.361 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.001 3.856 10.519 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.725 1.808 10.583 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.169 3.288 9.756 1.00 22.03 H new ATOM 946 N LEU A 57 -2.831 1.167 6.065 1.00 62.42 N ATOM 947 CA LEU A 57 -1.866 0.183 5.594 1.00 13.13 C ATOM 948 C LEU A 57 -0.698 0.070 6.547 1.00 71.12 C ATOM 949 O LEU A 57 -0.227 -1.020 6.806 1.00 53.41 O ATOM 950 CB LEU A 57 -1.355 0.535 4.193 1.00 34.12 C ATOM 951 CG LEU A 57 -2.355 0.407 3.049 1.00 42.20 C ATOM 952 CD1 LEU A 57 -1.736 0.900 1.757 1.00 13.21 C ATOM 953 CD2 LEU A 57 -2.796 -1.037 2.904 1.00 35.04 C ATOM 0 H LEU A 57 -3.052 1.892 5.382 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.379 -0.778 5.548 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -0.989 1.561 4.212 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.500 -0.104 3.972 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.228 1.020 3.273 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -2.459 0.804 0.947 1.00 13.21 H new ATOM 0 HD12 LEU A 57 -1.451 1.946 1.866 1.00 13.21 H new ATOM 0 HD13 LEU A 57 -0.852 0.305 1.527 1.00 13.21 H new ATOM 0 HD21 LEU A 57 -3.510 -1.119 2.085 1.00 35.04 H new ATOM 0 HD22 LEU A 57 -1.929 -1.663 2.693 1.00 35.04 H new ATOM 0 HD23 LEU A 57 -3.266 -1.368 3.830 1.00 35.04 H new ATOM 964 N GLU A 58 -0.277 1.203 7.082 1.00 41.15 N ATOM 965 CA GLU A 58 0.837 1.293 8.014 1.00 25.13 C ATOM 966 C GLU A 58 0.600 0.449 9.269 1.00 23.31 C ATOM 967 O GLU A 58 1.531 -0.135 9.820 1.00 41.22 O ATOM 968 CB GLU A 58 1.089 2.758 8.431 1.00 25.40 C ATOM 969 CG GLU A 58 1.184 3.756 7.275 1.00 63.30 C ATOM 970 CD GLU A 58 -0.157 4.331 6.848 1.00 34.03 C ATOM 971 OE1 GLU A 58 -0.982 3.618 6.257 1.00 71.30 O ATOM 972 OE2 GLU A 58 -0.394 5.520 7.080 1.00 53.22 O ATOM 0 H GLU A 58 -0.708 2.105 6.878 1.00 41.15 H new ATOM 0 HA GLU A 58 1.713 0.905 7.494 1.00 25.13 H new ATOM 0 HB2 GLU A 58 0.286 3.073 9.097 1.00 25.40 H new ATOM 0 HB3 GLU A 58 2.015 2.802 9.005 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.843 4.574 7.567 1.00 63.30 H new ATOM 0 HG3 GLU A 58 1.647 3.264 6.420 1.00 63.30 H new ATOM 979 N ASP A 59 -0.629 0.428 9.739 1.00 34.01 N ATOM 980 CA ASP A 59 -0.980 -0.341 10.927 1.00 63.41 C ATOM 981 C ASP A 59 -0.991 -1.842 10.611 1.00 42.14 C ATOM 982 O ASP A 59 -0.456 -2.660 11.368 1.00 72.41 O ATOM 983 CB ASP A 59 -2.331 0.123 11.496 1.00 22.41 C ATOM 984 CG ASP A 59 -2.686 -0.514 12.832 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.164 -0.067 13.878 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.521 -1.419 12.876 1.00 14.52 O ATOM 0 H ASP A 59 -1.408 0.935 9.319 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.223 -0.166 11.691 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.312 1.206 11.614 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.116 -0.105 10.775 1.00 22.41 H new ATOM 991 N ILE A 60 -1.566 -2.170 9.448 1.00 25.13 N ATOM 992 CA ILE A 60 -1.745 -3.565 9.005 1.00 73.13 C ATOM 993 C ILE A 60 -0.411 -4.195 8.607 1.00 51.12 C ATOM 994 O ILE A 60 -0.058 -5.285 9.059 1.00 44.15 O ATOM 995 CB ILE A 60 -2.745 -3.690 7.818 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.070 -3.002 8.159 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.996 -5.168 7.495 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.087 -3.024 7.035 1.00 50.54 C ATOM 0 H ILE A 60 -1.921 -1.480 8.786 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.161 -4.101 9.858 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.310 -3.201 6.946 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.503 -3.485 9.035 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.869 -1.966 8.432 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.697 -5.245 6.664 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.055 -5.646 7.222 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.415 -5.666 8.370 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -5.996 -2.517 7.357 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.677 -2.514 6.163 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.320 -4.057 6.775 1.00 50.54 H new ATOM 1010 N PHE A 61 0.302 -3.533 7.739 1.00 35.15 N ATOM 1011 CA PHE A 61 1.565 -4.040 7.302 1.00 22.52 C ATOM 1012 C PHE A 61 2.669 -3.146 7.804 1.00 61.31 C ATOM 1013 O PHE A 61 2.556 -1.921 7.783 1.00 64.35 O ATOM 1014 CB PHE A 61 1.606 -4.162 5.745 1.00 0.12 C ATOM 1015 CG PHE A 61 0.577 -5.103 5.185 1.00 21.33 C ATOM 1016 CD1 PHE A 61 0.804 -6.468 5.164 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.621 -4.620 4.679 1.00 50.52 C ATOM 1018 CE1 PHE A 61 -0.146 -7.334 4.653 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.571 -5.481 4.167 1.00 53.10 C ATOM 1020 CZ PHE A 61 -1.335 -6.838 4.153 1.00 22.32 C ATOM 0 H PHE A 61 0.028 -2.643 7.323 1.00 35.15 H new ATOM 0 HA PHE A 61 1.708 -5.039 7.713 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.458 -3.174 5.308 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.597 -4.499 5.442 1.00 0.12 H new ATOM 0 HD1 PHE A 61 1.733 -6.861 5.551 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.813 -3.557 4.686 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.041 -8.398 4.645 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.499 -5.090 3.777 1.00 53.10 H new ATOM 0 HZ PHE A 61 -2.077 -7.513 3.752 1.00 22.32 H new ATOM 1030 N GLN A 62 3.733 -3.747 8.231 1.00 72.24 N ATOM 1031 CA GLN A 62 4.851 -3.025 8.711 1.00 2.15 C ATOM 1032 C GLN A 62 5.998 -3.271 7.773 1.00 41.21 C ATOM 1033 O GLN A 62 6.267 -4.405 7.371 1.00 54.12 O ATOM 1034 CB GLN A 62 5.225 -3.433 10.128 1.00 43.12 C ATOM 1035 CG GLN A 62 6.259 -2.515 10.736 1.00 54.21 C ATOM 1036 CD GLN A 62 6.824 -3.005 12.036 1.00 62.30 C ATOM 1037 OE1 GLN A 62 6.165 -3.706 12.801 1.00 51.34 O ATOM 1038 NE2 GLN A 62 8.030 -2.609 12.314 1.00 41.41 N ATOM 0 H GLN A 62 3.844 -4.761 8.254 1.00 72.24 H new ATOM 0 HA GLN A 62 4.604 -1.964 8.747 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.331 -3.433 10.752 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.608 -4.453 10.121 1.00 43.12 H new ATOM 0 HG2 GLN A 62 7.074 -2.382 10.025 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.811 -1.534 10.894 1.00 54.21 H new ATOM 0 HE21 GLN A 62 8.542 -2.028 11.650 1.00 41.41 H new ATOM 0 HE22 GLN A 62 8.465 -2.879 13.196 1.00 41.41 H new ATOM 1047 N TRP A 63 6.638 -2.238 7.412 1.00 13.44 N ATOM 1048 CA TRP A 63 7.687 -2.287 6.455 1.00 61.35 C ATOM 1049 C TRP A 63 8.969 -1.715 6.991 1.00 61.52 C ATOM 1050 O TRP A 63 8.977 -0.650 7.603 1.00 24.43 O ATOM 1051 CB TRP A 63 7.241 -1.577 5.187 1.00 14.01 C ATOM 1052 CG TRP A 63 6.251 -0.461 5.439 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.483 0.752 6.028 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.863 -0.479 5.092 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.318 1.479 6.072 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.313 0.747 5.496 1.00 74.31 C ATOM 1057 CE3 TRP A 63 4.036 -1.417 4.470 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 2.978 1.059 5.300 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.712 -1.103 4.276 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.196 0.123 4.688 1.00 31.53 C ATOM 0 H TRP A 63 6.451 -1.304 7.776 1.00 13.44 H new ATOM 0 HA TRP A 63 7.898 -3.331 6.223 1.00 61.35 H new ATOM 0 HB2 TRP A 63 8.116 -1.169 4.681 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.792 -2.305 4.511 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.439 1.088 6.402 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.217 2.413 6.469 1.00 11.14 H new ATOM 0 HE3 TRP A 63 4.429 -2.370 4.148 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.571 2.007 5.619 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 2.061 -1.819 3.796 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.151 0.338 4.519 1.00 31.53 H new ATOM 1071 N GLN A 64 10.034 -2.438 6.799 1.00 35.50 N ATOM 1072 CA GLN A 64 11.350 -1.997 7.174 1.00 11.44 C ATOM 1073 C GLN A 64 12.238 -1.937 5.949 1.00 30.22 C ATOM 1074 O GLN A 64 12.770 -2.965 5.509 1.00 33.31 O ATOM 1075 CB GLN A 64 11.965 -2.927 8.228 1.00 44.22 C ATOM 1076 CG GLN A 64 11.354 -2.814 9.612 1.00 32.13 C ATOM 1077 CD GLN A 64 11.754 -1.532 10.337 1.00 24.43 C ATOM 1078 OE1 GLN A 64 12.008 -0.486 9.726 1.00 13.50 O ATOM 1079 NE2 GLN A 64 11.836 -1.607 11.629 1.00 53.21 N ATOM 0 H GLN A 64 10.015 -3.364 6.372 1.00 35.50 H new ATOM 0 HA GLN A 64 11.268 -1.002 7.610 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.865 -3.957 7.885 1.00 44.22 H new ATOM 0 HB3 GLN A 64 13.032 -2.717 8.299 1.00 44.22 H new ATOM 0 HG2 GLN A 64 10.268 -2.854 9.528 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.659 -3.673 10.209 1.00 32.13 H new ATOM 0 HE21 GLN A 64 11.620 -2.484 12.104 1.00 53.21 H new ATOM 0 HE22 GLN A 64 12.116 -0.789 12.171 1.00 53.21 H new ATOM 1088 N PRO A 65 12.345 -0.754 5.322 1.00 63.05 N ATOM 1089 CA PRO A 65 13.232 -0.550 4.180 1.00 13.14 C ATOM 1090 C PRO A 65 14.678 -0.488 4.653 1.00 44.11 C ATOM 1091 O PRO A 65 15.615 -0.820 3.925 1.00 4.41 O ATOM 1092 CB PRO A 65 12.791 0.811 3.608 1.00 11.15 C ATOM 1093 CG PRO A 65 11.516 1.148 4.309 1.00 34.32 C ATOM 1094 CD PRO A 65 11.586 0.466 5.638 1.00 62.43 C ATOM 0 HA PRO A 65 13.175 -1.351 3.443 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.549 1.574 3.785 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.642 0.753 2.530 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.409 2.226 4.428 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.654 0.804 3.738 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.092 1.079 6.384 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.595 0.239 6.032 1.00 62.43 H new ATOM 1102 N GLU A 66 14.828 -0.086 5.882 1.00 22.55 N ATOM 1103 CA GLU A 66 16.104 0.003 6.510 1.00 60.44 C ATOM 1104 C GLU A 66 16.338 -1.210 7.384 1.00 3.22 C ATOM 1105 O GLU A 66 16.796 -2.235 6.873 1.00 11.44 O ATOM 1106 CB GLU A 66 16.233 1.303 7.309 1.00 14.51 C ATOM 1107 CG GLU A 66 16.221 2.552 6.445 1.00 33.32 C ATOM 1108 CD GLU A 66 17.331 2.531 5.422 1.00 75.24 C ATOM 1109 OE1 GLU A 66 18.513 2.595 5.814 1.00 24.43 O ATOM 1110 OE2 GLU A 66 17.049 2.408 4.212 1.00 31.01 O ATOM 1111 OXT GLU A 66 16.076 -1.153 8.597 1.00 0.00 O ATOM 0 H GLU A 66 14.051 0.193 6.481 1.00 22.55 H new ATOM 0 HA GLU A 66 16.873 0.021 5.738 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.415 1.361 8.027 1.00 14.51 H new ATOM 0 HB3 GLU A 66 17.160 1.277 7.882 1.00 14.51 H new ATOM 0 HG2 GLU A 66 15.260 2.635 5.938 1.00 33.32 H new ATOM 0 HG3 GLU A 66 16.325 3.434 7.077 1.00 33.32 H new TER 1118 GLU A 66 ATOM 1119 N MET B 67 -12.197 1.952 -8.223 1.00 4.52 N ATOM 1120 CA MET B 67 -11.709 3.275 -8.589 1.00 15.43 C ATOM 1121 C MET B 67 -10.496 3.609 -7.773 1.00 54.41 C ATOM 1122 O MET B 67 -10.553 3.627 -6.544 1.00 33.23 O ATOM 1123 CB MET B 67 -12.782 4.349 -8.393 1.00 32.24 C ATOM 1124 CG MET B 67 -13.979 4.201 -9.305 1.00 0.23 C ATOM 1125 SD MET B 67 -13.535 4.287 -11.051 1.00 54.32 S ATOM 1126 CE MET B 67 -15.144 4.072 -11.811 1.00 74.51 C ATOM 0 HA MET B 67 -11.449 3.256 -9.647 1.00 15.43 H new ATOM 0 HB2 MET B 67 -13.122 4.322 -7.358 1.00 32.24 H new ATOM 0 HB3 MET B 67 -12.334 5.329 -8.556 1.00 32.24 H new ATOM 0 HG2 MET B 67 -14.468 3.248 -9.105 1.00 0.23 H new ATOM 0 HG3 MET B 67 -14.703 4.984 -9.079 1.00 0.23 H new ATOM 0 HE1 MET B 67 -15.041 4.101 -12.896 1.00 74.51 H new ATOM 0 HE2 MET B 67 -15.562 3.111 -11.512 1.00 74.51 H new ATOM 0 HE3 MET B 67 -15.809 4.873 -11.488 1.00 74.51 H new ATOM 1138 N ILE B 68 -9.400 3.850 -8.429 1.00 22.43 N ATOM 1139 CA ILE B 68 -8.181 4.207 -7.754 1.00 32.41 C ATOM 1140 C ILE B 68 -7.853 5.653 -8.073 1.00 45.13 C ATOM 1141 O ILE B 68 -7.879 6.066 -9.236 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.992 3.272 -8.159 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -7.330 1.796 -7.847 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.687 3.685 -7.466 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -7.670 1.527 -6.391 1.00 54.01 C ATOM 0 H ILE B 68 -9.322 3.806 -9.445 1.00 22.43 H new ATOM 0 HA ILE B 68 -8.328 4.083 -6.681 1.00 32.41 H new ATOM 0 HB ILE B 68 -6.842 3.376 -9.234 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -8.172 1.489 -8.467 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -6.482 1.173 -8.131 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.885 3.013 -7.771 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -5.433 4.707 -7.749 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -5.815 3.629 -6.385 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -7.894 0.468 -6.259 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -6.822 1.799 -5.763 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -8.539 2.120 -6.105 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.574 6.415 -7.060 1.00 31.31 N ATOM 1158 CA ILE B 69 -7.273 7.810 -7.205 1.00 25.12 C ATOM 1159 C ILE B 69 -5.828 7.994 -6.795 1.00 13.31 C ATOM 1160 O ILE B 69 -5.443 7.603 -5.680 1.00 33.20 O ATOM 1161 CB ILE B 69 -8.201 8.732 -6.309 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.702 8.658 -6.705 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.737 10.178 -6.347 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -10.421 7.376 -6.326 1.00 2.41 C ATOM 0 H ILE B 69 -7.548 6.083 -6.096 1.00 31.31 H new ATOM 0 HA ILE B 69 -7.449 8.107 -8.239 1.00 25.12 H new ATOM 0 HB ILE B 69 -8.111 8.344 -5.294 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.223 9.496 -6.241 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.781 8.792 -7.784 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.392 10.787 -5.724 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.716 10.242 -5.971 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.770 10.544 -7.373 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -11.460 7.433 -6.649 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.935 6.529 -6.811 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.384 7.244 -5.245 1.00 2.41 H new ATOM 1176 N ASN B 70 -5.021 8.538 -7.675 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.615 8.734 -7.408 1.00 24.23 C ATOM 1178 C ASN B 70 -3.372 10.170 -6.995 1.00 32.00 C ATOM 1179 O ASN B 70 -3.717 11.109 -7.727 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.797 8.397 -8.671 1.00 41.35 C ATOM 1181 CG ASN B 70 -1.325 8.778 -8.567 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.749 8.780 -7.493 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.724 9.104 -9.685 1.00 33.01 N ATOM 0 H ASN B 70 -5.320 8.857 -8.596 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.302 8.075 -6.598 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.873 7.328 -8.868 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -3.237 8.911 -9.526 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.260 9.372 -9.676 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -1.240 9.090 -10.564 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.787 10.348 -5.843 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.516 11.666 -5.317 1.00 54.20 C ATOM 1192 C ASN B 71 -1.040 11.809 -5.047 1.00 74.31 C ATOM 1193 O ASN B 71 -0.625 12.749 -4.393 1.00 70.34 O ATOM 1194 CB ASN B 71 -3.293 11.910 -4.010 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.794 11.805 -4.158 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.361 12.141 -5.200 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -5.439 11.304 -3.145 1.00 62.53 N ATOM 0 H ASN B 71 -2.483 9.585 -5.238 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.836 12.400 -6.056 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.961 11.190 -3.262 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -3.044 12.901 -3.631 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.450 11.177 -3.196 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.934 11.038 -2.300 1.00 62.53 H new ATOM 1204 N LEU B 72 -0.239 10.884 -5.599 1.00 31.42 N ATOM 1205 CA LEU B 72 1.224 10.862 -5.397 1.00 41.12 C ATOM 1206 C LEU B 72 1.805 12.234 -5.753 1.00 32.41 C ATOM 1207 O LEU B 72 2.589 12.806 -4.998 1.00 15.34 O ATOM 1208 CB LEU B 72 1.849 9.732 -6.280 1.00 22.14 C ATOM 1209 CG LEU B 72 3.303 9.252 -6.003 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.354 10.304 -6.313 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.440 8.758 -4.575 1.00 33.32 C ATOM 0 H LEU B 72 -0.583 10.132 -6.196 1.00 31.42 H new ATOM 0 HA LEU B 72 1.461 10.652 -4.354 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.198 8.861 -6.203 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.809 10.069 -7.316 1.00 22.14 H new ATOM 0 HG LEU B 72 3.489 8.425 -6.688 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.344 9.903 -6.097 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.295 10.578 -7.366 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.178 11.187 -5.698 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.464 8.427 -4.401 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.198 9.567 -3.885 1.00 33.32 H new ATOM 0 HD23 LEU B 72 2.756 7.925 -4.411 1.00 33.32 H new ATOM 1223 N LYS B 73 1.363 12.773 -6.880 1.00 14.34 N ATOM 1224 CA LYS B 73 1.815 14.074 -7.341 1.00 42.10 C ATOM 1225 C LYS B 73 1.413 15.205 -6.375 1.00 53.11 C ATOM 1226 O LYS B 73 2.199 16.095 -6.111 1.00 74.22 O ATOM 1227 CB LYS B 73 1.347 14.351 -8.779 1.00 5.41 C ATOM 1228 CG LYS B 73 -0.157 14.300 -8.988 1.00 35.52 C ATOM 1229 CD LYS B 73 -0.508 14.616 -10.428 1.00 25.45 C ATOM 1230 CE LYS B 73 -2.005 14.610 -10.651 1.00 12.21 C ATOM 1231 NZ LYS B 73 -2.351 14.936 -12.048 1.00 61.12 N ATOM 0 H LYS B 73 0.686 12.323 -7.496 1.00 14.34 H new ATOM 0 HA LYS B 73 2.905 14.051 -7.352 1.00 42.10 H new ATOM 0 HB2 LYS B 73 1.707 15.335 -9.078 1.00 5.41 H new ATOM 0 HB3 LYS B 73 1.815 13.625 -9.443 1.00 5.41 H new ATOM 0 HG2 LYS B 73 -0.532 13.311 -8.725 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -0.646 15.013 -8.324 1.00 35.52 H new ATOM 0 HD2 LYS B 73 -0.104 15.592 -10.696 1.00 25.45 H new ATOM 0 HD3 LYS B 73 -0.039 13.885 -11.086 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -2.407 13.629 -10.396 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -2.475 15.331 -9.982 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -3.385 14.922 -12.162 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -1.989 15.882 -12.283 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -1.923 14.234 -12.685 1.00 61.12 H new ATOM 1245 N LEU B 74 0.202 15.136 -5.836 1.00 3.54 N ATOM 1246 CA LEU B 74 -0.295 16.118 -4.871 1.00 24.22 C ATOM 1247 C LEU B 74 0.591 16.136 -3.607 1.00 33.32 C ATOM 1248 O LEU B 74 0.930 17.203 -3.088 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.798 15.813 -4.565 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.597 16.765 -3.633 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.242 16.577 -2.165 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.407 18.219 -4.050 1.00 34.11 C ATOM 0 H LEU B 74 -0.467 14.397 -6.054 1.00 3.54 H new ATOM 0 HA LEU B 74 -0.239 17.123 -5.289 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -2.324 15.772 -5.519 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.847 14.814 -4.131 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.649 16.503 -3.743 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.829 17.266 -1.558 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -2.462 15.552 -1.866 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -1.181 16.778 -2.019 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.976 18.866 -3.383 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -1.350 18.479 -3.993 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.759 18.353 -5.073 1.00 34.11 H new ATOM 1264 N ILE B 75 0.976 14.964 -3.137 1.00 72.34 N ATOM 1265 CA ILE B 75 1.876 14.858 -1.985 1.00 55.53 C ATOM 1266 C ILE B 75 3.257 15.463 -2.316 1.00 3.21 C ATOM 1267 O ILE B 75 3.881 16.136 -1.475 1.00 40.20 O ATOM 1268 CB ILE B 75 1.985 13.399 -1.396 1.00 33.31 C ATOM 1269 CG1 ILE B 75 0.728 13.013 -0.576 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.215 13.248 -0.518 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.575 12.941 -1.333 1.00 1.24 C ATOM 0 H ILE B 75 0.684 14.069 -3.529 1.00 72.34 H new ATOM 0 HA ILE B 75 1.429 15.447 -1.184 1.00 55.53 H new ATOM 0 HB ILE B 75 2.067 12.727 -2.251 1.00 33.31 H new ATOM 0 HG12 ILE B 75 0.908 12.043 -0.113 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.613 13.735 0.232 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.261 12.231 -0.128 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.109 13.451 -1.107 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.159 13.953 0.312 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.378 12.662 -0.650 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.795 13.914 -1.773 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.496 12.195 -2.124 1.00 1.24 H new ATOM 1283 N ARG B 76 3.706 15.256 -3.556 1.00 23.44 N ATOM 1284 CA ARG B 76 4.965 15.848 -4.035 1.00 2.23 C ATOM 1285 C ARG B 76 4.881 17.365 -3.958 1.00 61.23 C ATOM 1286 O ARG B 76 5.889 18.025 -3.781 1.00 0.10 O ATOM 1287 CB ARG B 76 5.254 15.472 -5.487 1.00 24.15 C ATOM 1288 CG ARG B 76 5.362 13.999 -5.763 1.00 71.12 C ATOM 1289 CD ARG B 76 5.396 13.724 -7.260 1.00 32.20 C ATOM 1290 NE ARG B 76 6.698 13.952 -7.910 1.00 64.13 N ATOM 1291 CZ ARG B 76 7.119 15.054 -8.558 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.517 16.231 -8.418 1.00 64.25 N ATOM 1293 NH2 ARG B 76 8.144 14.938 -9.369 1.00 51.23 N ATOM 0 H ARG B 76 3.221 14.685 -4.248 1.00 23.44 H new ATOM 0 HA ARG B 76 5.763 15.463 -3.400 1.00 2.23 H new ATOM 0 HB2 ARG B 76 4.465 15.885 -6.115 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.186 15.950 -5.790 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.264 13.604 -5.297 1.00 71.12 H new ATOM 0 HG3 ARG B 76 4.516 13.478 -5.313 1.00 71.12 H new ATOM 0 HD2 ARG B 76 5.099 12.689 -7.430 1.00 32.20 H new ATOM 0 HD3 ARG B 76 4.650 14.353 -7.746 1.00 32.20 H new ATOM 0 HE ARG B 76 7.362 13.180 -7.863 1.00 64.13 H new ATOM 0 HH11 ARG B 76 5.708 16.320 -7.803 1.00 64.25 H new ATOM 0 HH12 ARG B 76 6.864 17.045 -8.925 1.00 64.25 H new ATOM 0 HH21 ARG B 76 8.596 14.032 -9.493 1.00 51.23 H new ATOM 0 HH22 ARG B 76 8.488 15.754 -9.876 1.00 51.23 H new ATOM 1307 N GLU B 77 3.681 17.908 -4.200 1.00 3.43 N ATOM 1308 CA GLU B 77 3.410 19.335 -4.085 1.00 32.25 C ATOM 1309 C GLU B 77 3.413 19.820 -2.626 1.00 23.22 C ATOM 1310 O GLU B 77 3.804 20.958 -2.350 1.00 24.24 O ATOM 1311 CB GLU B 77 2.092 19.694 -4.769 1.00 73.21 C ATOM 1312 CG GLU B 77 2.054 19.356 -6.250 1.00 31.54 C ATOM 1313 CD GLU B 77 3.206 19.960 -7.012 1.00 75.21 C ATOM 1314 OE1 GLU B 77 3.231 21.197 -7.198 1.00 52.20 O ATOM 1315 OE2 GLU B 77 4.110 19.210 -7.446 1.00 73.43 O ATOM 0 H GLU B 77 2.869 17.360 -4.483 1.00 3.43 H new ATOM 0 HA GLU B 77 4.223 19.852 -4.594 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.279 19.171 -4.266 1.00 73.21 H new ATOM 0 HB3 GLU B 77 1.909 20.761 -4.645 1.00 73.21 H new ATOM 0 HG2 GLU B 77 2.070 18.273 -6.372 1.00 31.54 H new ATOM 0 HG3 GLU B 77 1.116 19.711 -6.676 1.00 31.54 H new ATOM 1322 N LYS B 78 2.913 18.977 -1.706 1.00 12.34 N ATOM 1323 CA LYS B 78 2.928 19.298 -0.261 1.00 0.30 C ATOM 1324 C LYS B 78 4.352 19.561 0.235 1.00 41.03 C ATOM 1325 O LYS B 78 4.579 20.451 1.070 1.00 70.21 O ATOM 1326 CB LYS B 78 2.288 18.170 0.573 1.00 31.15 C ATOM 1327 CG LYS B 78 0.807 17.926 0.299 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.021 19.175 0.560 1.00 63.03 C ATOM 1329 CE LYS B 78 -1.517 18.915 0.424 1.00 13.30 C ATOM 1330 NZ LYS B 78 -2.034 17.977 1.455 1.00 22.43 N ATOM 0 H LYS B 78 2.496 18.074 -1.931 1.00 12.34 H new ATOM 0 HA LYS B 78 2.338 20.205 -0.131 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.834 17.245 0.385 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.413 18.405 1.630 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.675 17.610 -0.736 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.448 17.112 0.929 1.00 63.14 H new ATOM 0 HD2 LYS B 78 0.192 19.546 1.563 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.275 19.957 -0.139 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -2.054 19.861 0.498 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -1.722 18.508 -0.566 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -3.074 17.979 1.436 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.686 17.017 1.257 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -1.704 18.278 2.394 1.00 22.43 H new ATOM 1344 N LYS B 79 5.289 18.812 -0.282 1.00 11.23 N ATOM 1345 CA LYS B 79 6.701 19.047 -0.025 1.00 71.54 C ATOM 1346 C LYS B 79 7.237 19.659 -1.309 1.00 62.41 C ATOM 1347 O LYS B 79 6.439 20.116 -2.120 1.00 22.21 O ATOM 1348 CB LYS B 79 7.412 17.716 0.304 1.00 24.24 C ATOM 1349 CG LYS B 79 6.783 16.959 1.478 1.00 24.13 C ATOM 1350 CD LYS B 79 6.729 17.824 2.734 1.00 4.22 C ATOM 1351 CE LYS B 79 5.994 17.136 3.879 1.00 44.25 C ATOM 1352 NZ LYS B 79 6.693 15.931 4.362 1.00 54.41 N ATOM 0 H LYS B 79 5.104 18.018 -0.895 1.00 11.23 H new ATOM 0 HA LYS B 79 6.868 19.703 0.829 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.397 17.077 -0.579 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.458 17.919 0.532 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.775 16.641 1.210 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.359 16.056 1.681 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.744 18.066 3.050 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.234 18.767 2.502 1.00 4.22 H new ATOM 0 HE2 LYS B 79 5.877 17.838 4.704 1.00 44.25 H new ATOM 0 HE3 LYS B 79 4.992 16.862 3.549 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 6.520 15.815 5.381 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 6.338 15.096 3.853 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 7.714 16.031 4.193 1.00 54.41 H new ATOM 1366 N LYS B 80 8.511 19.765 -1.531 1.00 71.43 N ATOM 1367 CA LYS B 80 8.931 20.162 -2.843 1.00 32.42 C ATOM 1368 C LYS B 80 10.066 19.277 -3.287 1.00 13.24 C ATOM 1369 O LYS B 80 11.240 19.609 -3.164 1.00 5.54 O ATOM 1370 CB LYS B 80 9.252 21.679 -2.965 1.00 73.24 C ATOM 1371 CG LYS B 80 10.299 22.223 -2.003 1.00 40.21 C ATOM 1372 CD LYS B 80 10.608 23.675 -2.302 1.00 43.22 C ATOM 1373 CE LYS B 80 11.728 24.212 -1.424 1.00 70.42 C ATOM 1374 NZ LYS B 80 11.368 24.241 0.016 1.00 23.43 N ATOM 0 H LYS B 80 9.253 19.591 -0.853 1.00 71.43 H new ATOM 0 HA LYS B 80 8.092 20.023 -3.525 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.586 21.878 -3.983 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.328 22.238 -2.818 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.941 22.127 -0.978 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.211 21.630 -2.079 1.00 40.21 H new ATOM 0 HD2 LYS B 80 10.888 23.777 -3.350 1.00 43.22 H new ATOM 0 HD3 LYS B 80 9.710 24.275 -2.152 1.00 43.22 H new ATOM 0 HE2 LYS B 80 12.617 23.595 -1.559 1.00 70.42 H new ATOM 0 HE3 LYS B 80 11.987 25.220 -1.749 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 12.140 24.678 0.558 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 10.498 24.795 0.145 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 11.213 23.270 0.355 1.00 23.43 H new ATOM 1388 N ILE B 81 9.709 18.092 -3.673 1.00 13.13 N ATOM 1389 CA ILE B 81 10.654 17.120 -4.123 1.00 43.54 C ATOM 1390 C ILE B 81 10.229 16.683 -5.503 1.00 51.30 C ATOM 1391 O ILE B 81 9.069 16.322 -5.706 1.00 65.41 O ATOM 1392 CB ILE B 81 10.733 15.898 -3.149 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.061 16.374 -1.715 1.00 24.32 C ATOM 1394 CG2 ILE B 81 11.792 14.913 -3.626 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.151 15.264 -0.679 1.00 1.24 C ATOM 0 H ILE B 81 8.742 17.769 -3.684 1.00 13.13 H new ATOM 0 HA ILE B 81 11.653 17.556 -4.149 1.00 43.54 H new ATOM 0 HB ILE B 81 9.764 15.398 -3.140 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.009 16.912 -1.734 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.297 17.085 -1.400 1.00 24.32 H new ATOM 0 HG21 ILE B 81 11.837 14.067 -2.940 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.535 14.558 -4.624 1.00 62.43 H new ATOM 0 HG23 ILE B 81 12.762 15.408 -3.656 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.385 15.694 0.295 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.197 14.739 -0.625 1.00 1.24 H new ATOM 0 HD13 ILE B 81 11.936 14.563 -0.964 1.00 1.24 H new ATOM 1407 N SER B 82 11.136 16.731 -6.438 1.00 2.42 N ATOM 1408 CA SER B 82 10.816 16.430 -7.802 1.00 41.31 C ATOM 1409 C SER B 82 11.353 15.053 -8.213 1.00 13.21 C ATOM 1410 O SER B 82 11.926 14.329 -7.380 1.00 35.13 O ATOM 1411 CB SER B 82 11.313 17.552 -8.703 1.00 43.33 C ATOM 1412 OG SER B 82 10.706 18.786 -8.335 1.00 71.34 O ATOM 0 H SER B 82 12.112 16.979 -6.276 1.00 2.42 H new ATOM 0 HA SER B 82 9.733 16.371 -7.913 1.00 41.31 H new ATOM 0 HB2 SER B 82 12.397 17.635 -8.627 1.00 43.33 H new ATOM 0 HB3 SER B 82 11.083 17.321 -9.743 1.00 43.33 H new ATOM 0 HG SER B 82 11.035 19.500 -8.920 1.00 71.34 H new ATOM 1418 N GLN B 83 11.208 14.720 -9.495 1.00 45.12 N ATOM 1419 CA GLN B 83 11.492 13.385 -9.997 1.00 65.34 C ATOM 1420 C GLN B 83 12.949 12.970 -9.864 1.00 13.44 C ATOM 1421 O GLN B 83 13.211 11.833 -9.515 1.00 12.11 O ATOM 1422 CB GLN B 83 10.976 13.184 -11.426 1.00 30.22 C ATOM 1423 CG GLN B 83 11.463 14.223 -12.405 1.00 4.43 C ATOM 1424 CD GLN B 83 10.996 13.984 -13.817 1.00 53.31 C ATOM 1425 OE1 GLN B 83 9.929 13.414 -14.060 1.00 72.33 O ATOM 1426 NE2 GLN B 83 11.762 14.448 -14.754 1.00 45.23 N ATOM 0 H GLN B 83 10.890 15.372 -10.212 1.00 45.12 H new ATOM 0 HA GLN B 83 10.935 12.713 -9.344 1.00 65.34 H new ATOM 0 HB2 GLN B 83 11.281 12.198 -11.776 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.886 13.194 -11.413 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.122 15.206 -12.079 1.00 4.43 H new ATOM 0 HG3 GLN B 83 12.553 14.243 -12.390 1.00 4.43 H new ATOM 0 HE21 GLN B 83 12.637 14.914 -14.514 1.00 45.23 H new ATOM 0 HE22 GLN B 83 11.490 14.348 -15.732 1.00 45.23 H new ATOM 1435 N SER B 84 13.909 13.870 -10.118 1.00 55.44 N ATOM 1436 CA SER B 84 15.313 13.495 -9.994 1.00 52.11 C ATOM 1437 C SER B 84 15.642 13.149 -8.552 1.00 62.21 C ATOM 1438 O SER B 84 16.304 12.131 -8.282 1.00 10.02 O ATOM 1439 CB SER B 84 16.216 14.628 -10.461 1.00 45.03 C ATOM 1440 OG SER B 84 15.868 15.058 -11.766 1.00 21.34 O ATOM 0 H SER B 84 13.741 14.835 -10.402 1.00 55.44 H new ATOM 0 HA SER B 84 15.485 12.622 -10.623 1.00 52.11 H new ATOM 0 HB2 SER B 84 16.141 15.466 -9.767 1.00 45.03 H new ATOM 0 HB3 SER B 84 17.254 14.297 -10.449 1.00 45.03 H new ATOM 0 HG SER B 84 16.463 15.787 -12.040 1.00 21.34 H new ATOM 1446 N GLU B 85 15.182 13.991 -7.633 1.00 50.43 N ATOM 1447 CA GLU B 85 15.403 13.770 -6.216 1.00 3.23 C ATOM 1448 C GLU B 85 14.774 12.471 -5.779 1.00 41.23 C ATOM 1449 O GLU B 85 15.438 11.640 -5.177 1.00 11.14 O ATOM 1450 CB GLU B 85 14.847 14.917 -5.384 1.00 33.34 C ATOM 1451 CG GLU B 85 15.463 16.260 -5.694 1.00 42.23 C ATOM 1452 CD GLU B 85 16.947 16.253 -5.540 1.00 44.10 C ATOM 1453 OE1 GLU B 85 17.440 16.272 -4.394 1.00 64.25 O ATOM 1454 OE2 GLU B 85 17.664 16.228 -6.562 1.00 70.32 O ATOM 0 H GLU B 85 14.652 14.835 -7.849 1.00 50.43 H new ATOM 0 HA GLU B 85 16.480 13.719 -6.055 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.770 14.978 -5.543 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.001 14.694 -4.328 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.207 16.547 -6.714 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.035 17.014 -5.034 1.00 42.23 H new ATOM 1461 N LEU B 86 13.513 12.280 -6.139 1.00 73.22 N ATOM 1462 CA LEU B 86 12.792 11.063 -5.806 1.00 10.22 C ATOM 1463 C LEU B 86 13.476 9.833 -6.390 1.00 65.33 C ATOM 1464 O LEU B 86 13.629 8.836 -5.704 1.00 30.50 O ATOM 1465 CB LEU B 86 11.323 11.152 -6.247 1.00 32.54 C ATOM 1466 CG LEU B 86 10.434 12.097 -5.436 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.053 12.188 -6.058 1.00 52.52 C ATOM 1468 CD2 LEU B 86 10.327 11.611 -3.994 1.00 23.21 C ATOM 0 H LEU B 86 12.965 12.960 -6.666 1.00 73.22 H new ATOM 0 HA LEU B 86 12.805 10.957 -4.721 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.296 11.466 -7.290 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.890 10.152 -6.204 1.00 32.54 H new ATOM 0 HG LEU B 86 10.886 13.089 -5.442 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.433 12.864 -5.469 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.137 12.567 -7.077 1.00 52.52 H new ATOM 0 HD13 LEU B 86 8.596 11.199 -6.075 1.00 52.52 H new ATOM 0 HD21 LEU B 86 9.692 12.292 -3.427 1.00 23.21 H new ATOM 0 HD22 LEU B 86 9.893 10.611 -3.978 1.00 23.21 H new ATOM 0 HD23 LEU B 86 11.320 11.582 -3.545 1.00 23.21 H new ATOM 1480 N ALA B 87 13.947 9.937 -7.629 1.00 4.44 N ATOM 1481 CA ALA B 87 14.649 8.839 -8.285 1.00 14.42 C ATOM 1482 C ALA B 87 15.886 8.439 -7.505 1.00 35.03 C ATOM 1483 O ALA B 87 16.101 7.257 -7.250 1.00 72.55 O ATOM 1484 CB ALA B 87 15.038 9.210 -9.702 1.00 1.41 C ATOM 0 H ALA B 87 13.854 10.776 -8.202 1.00 4.44 H new ATOM 0 HA ALA B 87 13.965 7.991 -8.319 1.00 14.42 H new ATOM 0 HB1 ALA B 87 15.560 8.373 -10.167 1.00 1.41 H new ATOM 0 HB2 ALA B 87 14.141 9.443 -10.276 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.693 10.081 -9.683 1.00 1.41 H new ATOM 1490 N ALA B 88 16.691 9.426 -7.126 1.00 4.14 N ATOM 1491 CA ALA B 88 17.903 9.183 -6.358 1.00 53.23 C ATOM 1492 C ALA B 88 17.587 8.636 -4.988 1.00 34.22 C ATOM 1493 O ALA B 88 18.249 7.726 -4.507 1.00 30.41 O ATOM 1494 CB ALA B 88 18.718 10.453 -6.229 1.00 24.13 C ATOM 0 H ALA B 88 16.522 10.409 -7.341 1.00 4.14 H new ATOM 0 HA ALA B 88 18.487 8.438 -6.898 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.620 10.250 -5.651 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.995 10.810 -7.221 1.00 24.13 H new ATOM 0 HB3 ALA B 88 18.126 11.215 -5.722 1.00 24.13 H new ATOM 1500 N LEU B 89 16.571 9.189 -4.361 1.00 71.12 N ATOM 1501 CA LEU B 89 16.159 8.757 -3.043 1.00 42.20 C ATOM 1502 C LEU B 89 15.718 7.303 -3.043 1.00 63.22 C ATOM 1503 O LEU B 89 16.009 6.559 -2.111 1.00 30.24 O ATOM 1504 CB LEU B 89 15.062 9.668 -2.478 1.00 60.54 C ATOM 1505 CG LEU B 89 15.475 11.120 -2.197 1.00 63.34 C ATOM 1506 CD1 LEU B 89 14.285 11.934 -1.720 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.606 11.173 -1.176 1.00 50.33 C ATOM 0 H LEU B 89 16.010 9.947 -4.748 1.00 71.12 H new ATOM 0 HA LEU B 89 17.028 8.835 -2.389 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.227 9.677 -3.179 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.694 9.229 -1.550 1.00 60.54 H new ATOM 0 HG LEU B 89 15.836 11.556 -3.128 1.00 63.34 H new ATOM 0 HD11 LEU B 89 14.600 12.960 -1.527 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.511 11.931 -2.487 1.00 60.14 H new ATOM 0 HD13 LEU B 89 13.889 11.497 -0.803 1.00 60.14 H new ATOM 0 HD21 LEU B 89 16.882 12.211 -0.992 1.00 50.33 H new ATOM 0 HD22 LEU B 89 16.276 10.715 -0.244 1.00 50.33 H new ATOM 0 HD23 LEU B 89 17.469 10.631 -1.561 1.00 50.33 H new ATOM 1519 N LEU B 90 15.065 6.885 -4.098 1.00 61.11 N ATOM 1520 CA LEU B 90 14.574 5.522 -4.168 1.00 33.50 C ATOM 1521 C LEU B 90 15.592 4.604 -4.835 1.00 13.04 C ATOM 1522 O LEU B 90 15.344 3.403 -4.952 1.00 54.12 O ATOM 1523 CB LEU B 90 13.287 5.447 -4.982 1.00 1.13 C ATOM 1524 CG LEU B 90 12.188 6.449 -4.676 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.993 6.179 -5.555 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.803 6.432 -3.219 1.00 43.42 C ATOM 0 H LEU B 90 14.860 7.459 -4.916 1.00 61.11 H new ATOM 0 HA LEU B 90 14.394 5.202 -3.142 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.551 5.553 -6.034 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.871 4.447 -4.857 1.00 1.13 H new ATOM 0 HG LEU B 90 12.569 7.448 -4.890 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.207 6.900 -5.332 1.00 24.05 H new ATOM 0 HD12 LEU B 90 11.283 6.270 -6.602 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.624 5.171 -5.368 1.00 24.05 H new ATOM 0 HD21 LEU B 90 11.014 7.163 -3.043 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.444 5.439 -2.949 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.672 6.682 -2.610 1.00 43.42 H new ATOM 1538 N GLU B 91 16.729 5.167 -5.277 1.00 45.33 N ATOM 1539 CA GLU B 91 17.753 4.421 -6.040 1.00 22.43 C ATOM 1540 C GLU B 91 17.152 3.818 -7.319 1.00 63.31 C ATOM 1541 O GLU B 91 17.625 2.791 -7.837 1.00 72.53 O ATOM 1542 CB GLU B 91 18.410 3.333 -5.173 1.00 34.10 C ATOM 1543 CG GLU B 91 19.284 3.869 -4.051 1.00 74.02 C ATOM 1544 CD GLU B 91 20.479 4.634 -4.568 1.00 63.23 C ATOM 1545 OE1 GLU B 91 21.459 4.003 -5.021 1.00 73.13 O ATOM 1546 OE2 GLU B 91 20.487 5.871 -4.512 1.00 54.24 O ATOM 0 H GLU B 91 16.967 6.146 -5.119 1.00 45.33 H new ATOM 0 HA GLU B 91 18.531 5.126 -6.333 1.00 22.43 H new ATOM 0 HB2 GLU B 91 17.628 2.708 -4.742 1.00 34.10 H new ATOM 0 HB3 GLU B 91 19.015 2.691 -5.813 1.00 34.10 H new ATOM 0 HG2 GLU B 91 18.689 4.520 -3.410 1.00 74.02 H new ATOM 0 HG3 GLU B 91 19.627 3.039 -3.433 1.00 74.02 H new ATOM 1553 N VAL B 92 16.177 4.506 -7.877 1.00 33.53 N ATOM 1554 CA VAL B 92 15.466 4.008 -9.033 1.00 2.41 C ATOM 1555 C VAL B 92 15.742 4.881 -10.224 1.00 32.32 C ATOM 1556 O VAL B 92 16.402 5.918 -10.112 1.00 23.34 O ATOM 1557 CB VAL B 92 13.917 3.906 -8.826 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.559 2.956 -7.697 1.00 12.32 C ATOM 1559 CG2 VAL B 92 13.279 5.282 -8.623 1.00 4.10 C ATOM 0 H VAL B 92 15.859 5.416 -7.545 1.00 33.53 H new ATOM 0 HA VAL B 92 15.835 2.995 -9.197 1.00 2.41 H new ATOM 0 HB VAL B 92 13.502 3.488 -9.743 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.475 2.914 -7.587 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.939 1.960 -7.925 1.00 12.32 H new ATOM 0 HG13 VAL B 92 14.005 3.311 -6.768 1.00 12.32 H new ATOM 0 HG21 VAL B 92 12.204 5.168 -8.483 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.711 5.757 -7.742 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.467 5.903 -9.499 1.00 4.10 H new ATOM 1569 N SER B 93 15.235 4.475 -11.336 1.00 35.42 N ATOM 1570 CA SER B 93 15.394 5.185 -12.550 1.00 0.14 C ATOM 1571 C SER B 93 14.382 6.339 -12.604 1.00 54.44 C ATOM 1572 O SER B 93 13.244 6.213 -12.102 1.00 24.14 O ATOM 1573 CB SER B 93 15.172 4.207 -13.688 1.00 23.34 C ATOM 1574 OG SER B 93 15.965 3.039 -13.484 1.00 1.11 O ATOM 0 H SER B 93 14.686 3.620 -11.425 1.00 35.42 H new ATOM 0 HA SER B 93 16.393 5.615 -12.629 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.118 3.936 -13.746 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.434 4.674 -14.637 1.00 23.34 H new ATOM 0 HG SER B 93 15.817 2.410 -14.221 1.00 1.11 H new ATOM 1580 N ARG B 94 14.792 7.449 -13.185 1.00 33.45 N ATOM 1581 CA ARG B 94 13.959 8.641 -13.314 1.00 2.32 C ATOM 1582 C ARG B 94 12.698 8.362 -14.139 1.00 72.10 C ATOM 1583 O ARG B 94 11.662 9.000 -13.950 1.00 61.25 O ATOM 1584 CB ARG B 94 14.770 9.785 -13.906 1.00 73.14 C ATOM 1585 CG ARG B 94 15.944 10.204 -13.033 1.00 54.32 C ATOM 1586 CD ARG B 94 16.842 11.194 -13.735 1.00 53.33 C ATOM 1587 NE ARG B 94 17.448 10.629 -14.947 1.00 21.14 N ATOM 1588 CZ ARG B 94 18.143 11.333 -15.854 1.00 13.43 C ATOM 1589 NH1 ARG B 94 18.401 12.629 -15.648 1.00 20.31 N ATOM 1590 NH2 ARG B 94 18.581 10.736 -16.960 1.00 44.34 N ATOM 0 H ARG B 94 15.723 7.556 -13.587 1.00 33.45 H new ATOM 0 HA ARG B 94 13.626 8.934 -12.318 1.00 2.32 H new ATOM 0 HB2 ARG B 94 15.143 9.488 -14.886 1.00 73.14 H new ATOM 0 HB3 ARG B 94 14.116 10.643 -14.060 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.570 10.645 -12.109 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.522 9.323 -12.755 1.00 54.32 H new ATOM 0 HD2 ARG B 94 16.266 12.081 -13.998 1.00 53.33 H new ATOM 0 HD3 ARG B 94 17.629 11.515 -13.053 1.00 53.33 H new ATOM 0 HE ARG B 94 17.332 9.629 -15.112 1.00 21.14 H new ATOM 0 HH11 ARG B 94 18.069 13.086 -14.799 1.00 20.31 H new ATOM 0 HH12 ARG B 94 18.930 13.160 -16.340 1.00 20.31 H new ATOM 0 HH21 ARG B 94 18.388 9.747 -17.116 1.00 44.34 H new ATOM 0 HH22 ARG B 94 19.109 11.268 -17.652 1.00 44.34 H new ATOM 1604 N GLN B 95 12.789 7.414 -15.051 1.00 63.51 N ATOM 1605 CA GLN B 95 11.635 7.015 -15.842 1.00 73.10 C ATOM 1606 C GLN B 95 10.648 6.250 -14.945 1.00 21.43 C ATOM 1607 O GLN B 95 9.428 6.398 -15.061 1.00 63.01 O ATOM 1608 CB GLN B 95 12.062 6.116 -16.997 1.00 14.11 C ATOM 1609 CG GLN B 95 10.997 5.922 -18.066 1.00 34.33 C ATOM 1610 CD GLN B 95 10.752 7.193 -18.855 1.00 13.43 C ATOM 1611 OE1 GLN B 95 11.418 7.443 -19.859 1.00 35.21 O ATOM 1612 NE2 GLN B 95 9.796 7.981 -18.459 1.00 24.53 N ATOM 0 H GLN B 95 13.647 6.905 -15.264 1.00 63.51 H new ATOM 0 HA GLN B 95 11.161 7.909 -16.248 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.953 6.539 -17.461 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.342 5.141 -16.599 1.00 14.11 H new ATOM 0 HG2 GLN B 95 11.304 5.127 -18.745 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.067 5.600 -17.598 1.00 34.33 H new ATOM 0 HE21 GLN B 95 9.259 7.751 -17.623 1.00 24.53 H new ATOM 0 HE22 GLN B 95 9.584 8.829 -18.984 1.00 24.53 H new ATOM 1621 N THR B 96 11.192 5.467 -14.039 1.00 21.22 N ATOM 1622 CA THR B 96 10.414 4.653 -13.145 1.00 0.23 C ATOM 1623 C THR B 96 9.629 5.518 -12.140 1.00 24.14 C ATOM 1624 O THR B 96 8.409 5.358 -12.014 1.00 5.35 O ATOM 1625 CB THR B 96 11.330 3.630 -12.426 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.000 2.825 -13.424 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.538 2.723 -11.488 1.00 50.43 C ATOM 0 H THR B 96 12.199 5.380 -13.905 1.00 21.22 H new ATOM 0 HA THR B 96 9.678 4.100 -13.729 1.00 0.23 H new ATOM 0 HB THR B 96 12.053 4.179 -11.823 1.00 71.41 H new ATOM 0 HG1 THR B 96 11.360 2.199 -13.823 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.216 2.020 -11.003 1.00 50.43 H new ATOM 0 HG22 THR B 96 10.040 3.329 -10.731 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.791 2.172 -12.060 1.00 50.43 H new ATOM 1635 N ILE B 97 10.312 6.448 -11.455 1.00 3.24 N ATOM 1636 CA ILE B 97 9.632 7.322 -10.490 1.00 15.23 C ATOM 1637 C ILE B 97 8.539 8.168 -11.163 1.00 54.43 C ATOM 1638 O ILE B 97 7.405 8.208 -10.683 1.00 12.25 O ATOM 1639 CB ILE B 97 10.637 8.231 -9.693 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.903 9.194 -8.752 1.00 13.20 C ATOM 1641 CG2 ILE B 97 11.563 8.999 -10.619 1.00 12.10 C ATOM 1642 CD1 ILE B 97 9.089 8.514 -7.677 1.00 15.23 C ATOM 0 H ILE B 97 11.314 6.612 -11.549 1.00 3.24 H new ATOM 0 HA ILE B 97 9.150 6.665 -9.766 1.00 15.23 H new ATOM 0 HB ILE B 97 11.248 7.562 -9.087 1.00 61.33 H new ATOM 0 HG12 ILE B 97 10.635 9.848 -8.278 1.00 13.20 H new ATOM 0 HG13 ILE B 97 9.244 9.829 -9.343 1.00 13.20 H new ATOM 0 HG21 ILE B 97 12.241 9.614 -10.027 1.00 12.10 H new ATOM 0 HG22 ILE B 97 12.141 8.297 -11.220 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.973 9.638 -11.276 1.00 12.10 H new ATOM 0 HD11 ILE B 97 8.604 9.268 -7.057 1.00 15.23 H new ATOM 0 HD12 ILE B 97 8.331 7.882 -8.140 1.00 15.23 H new ATOM 0 HD13 ILE B 97 9.744 7.901 -7.058 1.00 15.23 H new ATOM 1654 N ASN B 98 8.869 8.760 -12.313 1.00 30.33 N ATOM 1655 CA ASN B 98 7.913 9.563 -13.080 1.00 60.42 C ATOM 1656 C ASN B 98 6.696 8.741 -13.445 1.00 3.24 C ATOM 1657 O ASN B 98 5.562 9.221 -13.377 1.00 13.11 O ATOM 1658 CB ASN B 98 8.570 10.144 -14.344 1.00 64.50 C ATOM 1659 CG ASN B 98 7.585 10.878 -15.251 1.00 24.43 C ATOM 1660 OD1 ASN B 98 7.316 12.057 -15.070 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.072 10.202 -16.242 1.00 74.02 N ATOM 0 H ASN B 98 9.795 8.698 -12.735 1.00 30.33 H new ATOM 0 HA ASN B 98 7.592 10.394 -12.452 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.364 10.830 -14.050 1.00 64.50 H new ATOM 0 HB3 ASN B 98 9.039 9.336 -14.906 1.00 64.50 H new ATOM 0 HD21 ASN B 98 6.429 10.656 -16.890 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.314 9.219 -16.369 1.00 74.02 H new ATOM 1668 N GLY B 99 6.943 7.486 -13.765 1.00 32.15 N ATOM 1669 CA GLY B 99 5.895 6.583 -14.142 1.00 62.40 C ATOM 1670 C GLY B 99 4.932 6.321 -13.008 1.00 51.22 C ATOM 1671 O GLY B 99 3.727 6.173 -13.237 1.00 73.51 O ATOM 0 H GLY B 99 7.876 7.073 -13.768 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.350 6.996 -14.991 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.331 5.640 -14.471 1.00 62.40 H new ATOM 1675 N ILE B 100 5.448 6.229 -11.793 1.00 55.13 N ATOM 1676 CA ILE B 100 4.613 6.015 -10.624 1.00 14.23 C ATOM 1677 C ILE B 100 3.828 7.287 -10.302 1.00 12.31 C ATOM 1678 O ILE B 100 2.637 7.223 -9.999 1.00 62.21 O ATOM 1679 CB ILE B 100 5.440 5.563 -9.378 1.00 13.40 C ATOM 1680 CG1 ILE B 100 6.217 4.263 -9.672 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.531 5.369 -8.159 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.342 3.064 -10.017 1.00 51.13 C ATOM 0 H ILE B 100 6.445 6.300 -11.591 1.00 55.13 H new ATOM 0 HA ILE B 100 3.921 5.207 -10.862 1.00 14.23 H new ATOM 0 HB ILE B 100 6.158 6.352 -9.154 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.903 4.445 -10.499 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.825 4.014 -8.802 1.00 21.05 H new ATOM 0 HG21 ILE B 100 5.130 5.054 -7.305 1.00 62.42 H new ATOM 0 HG22 ILE B 100 4.031 6.309 -7.925 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.785 4.606 -8.379 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.973 2.196 -10.208 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.673 2.850 -9.183 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.753 3.287 -10.907 1.00 51.13 H new ATOM 1694 N GLU B 101 4.496 8.447 -10.411 1.00 42.35 N ATOM 1695 CA GLU B 101 3.847 9.751 -10.162 1.00 14.13 C ATOM 1696 C GLU B 101 2.652 9.945 -11.084 1.00 62.12 C ATOM 1697 O GLU B 101 1.623 10.486 -10.681 1.00 33.44 O ATOM 1698 CB GLU B 101 4.808 10.887 -10.491 1.00 72.22 C ATOM 1699 CG GLU B 101 6.149 10.862 -9.799 1.00 22.14 C ATOM 1700 CD GLU B 101 7.035 11.984 -10.293 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.635 12.687 -11.271 1.00 12.42 O ATOM 1702 OE2 GLU B 101 8.098 12.230 -9.693 1.00 14.03 O ATOM 0 H GLU B 101 5.481 8.512 -10.669 1.00 42.35 H new ATOM 0 HA GLU B 101 3.546 9.761 -9.114 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.980 10.886 -11.567 1.00 72.22 H new ATOM 0 HB3 GLU B 101 4.317 11.829 -10.248 1.00 72.22 H new ATOM 0 HG2 GLU B 101 6.008 10.952 -8.722 1.00 22.14 H new ATOM 0 HG3 GLU B 101 6.636 9.904 -9.977 1.00 22.14 H new ATOM 1709 N LYS B 102 2.788 9.470 -12.302 1.00 72.42 N ATOM 1710 CA LYS B 102 1.739 9.610 -13.293 1.00 3.42 C ATOM 1711 C LYS B 102 0.861 8.353 -13.325 1.00 64.33 C ATOM 1712 O LYS B 102 0.022 8.200 -14.210 1.00 74.05 O ATOM 1713 CB LYS B 102 2.341 9.875 -14.689 1.00 71.34 C ATOM 1714 CG LYS B 102 3.384 11.008 -14.751 1.00 73.40 C ATOM 1715 CD LYS B 102 2.877 12.314 -14.150 1.00 3.32 C ATOM 1716 CE LYS B 102 3.914 13.436 -14.274 1.00 11.20 C ATOM 1717 NZ LYS B 102 5.221 13.102 -13.642 1.00 30.21 N ATOM 0 H LYS B 102 3.619 8.980 -12.633 1.00 72.42 H new ATOM 0 HA LYS B 102 1.119 10.463 -13.016 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.805 8.956 -15.047 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.530 10.112 -15.378 1.00 71.34 H new ATOM 0 HG2 LYS B 102 4.284 10.696 -14.222 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.667 11.178 -15.790 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.957 12.612 -14.652 1.00 3.32 H new ATOM 0 HD3 LYS B 102 2.632 12.160 -13.099 1.00 3.32 H new ATOM 0 HE2 LYS B 102 4.075 13.658 -15.329 1.00 11.20 H new ATOM 0 HE3 LYS B 102 3.517 14.341 -13.815 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.764 13.975 -13.485 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 5.055 12.629 -12.731 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 5.758 12.469 -14.268 1.00 30.21 H new ATOM 1731 N ASN B 103 1.068 7.466 -12.324 1.00 21.34 N ATOM 1732 CA ASN B 103 0.359 6.159 -12.142 1.00 41.10 C ATOM 1733 C ASN B 103 0.261 5.339 -13.426 1.00 30.41 C ATOM 1734 O ASN B 103 -0.621 4.495 -13.580 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.030 6.305 -11.441 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.073 7.093 -12.222 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.160 8.327 -12.106 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -2.897 6.409 -12.958 1.00 15.22 N ATOM 0 H ASN B 103 1.755 7.638 -11.590 1.00 21.34 H new ATOM 0 HA ASN B 103 0.994 5.591 -11.462 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.425 5.309 -11.242 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -0.882 6.788 -10.475 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.645 6.885 -13.463 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -2.796 5.397 -13.030 1.00 15.22 H new ATOM 1745 N LYS B 104 1.247 5.484 -14.275 1.00 23.05 N ATOM 1746 CA LYS B 104 1.245 4.825 -15.559 1.00 71.21 C ATOM 1747 C LYS B 104 2.119 3.589 -15.488 1.00 63.12 C ATOM 1748 O LYS B 104 1.921 2.622 -16.202 1.00 54.40 O ATOM 1749 CB LYS B 104 1.750 5.780 -16.652 1.00 54.41 C ATOM 1750 CG LYS B 104 1.698 5.184 -18.045 1.00 51.33 C ATOM 1751 CD LYS B 104 2.104 6.174 -19.112 1.00 14.11 C ATOM 1752 CE LYS B 104 1.921 5.575 -20.500 1.00 53.22 C ATOM 1753 NZ LYS B 104 0.527 5.118 -20.717 1.00 30.43 N ATOM 0 H LYS B 104 2.071 6.059 -14.098 1.00 23.05 H new ATOM 0 HA LYS B 104 0.227 4.530 -15.812 1.00 71.21 H new ATOM 0 HB2 LYS B 104 1.152 6.691 -16.632 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.777 6.068 -16.426 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.355 4.316 -18.090 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.687 4.830 -18.248 1.00 51.33 H new ATOM 0 HD2 LYS B 104 1.506 7.081 -19.020 1.00 14.11 H new ATOM 0 HD3 LYS B 104 3.145 6.463 -18.970 1.00 14.11 H new ATOM 0 HE2 LYS B 104 2.183 6.317 -21.255 1.00 53.22 H new ATOM 0 HE3 LYS B 104 2.604 4.735 -20.628 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 0.333 5.069 -21.738 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 0.401 4.176 -20.295 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 -0.131 5.788 -20.271 1.00 30.43 H new ATOM 1767 N TYR B 105 3.044 3.605 -14.560 1.00 74.05 N ATOM 1768 CA TYR B 105 4.008 2.529 -14.412 1.00 12.53 C ATOM 1769 C TYR B 105 3.390 1.380 -13.599 1.00 13.41 C ATOM 1770 O TYR B 105 4.033 0.353 -13.391 1.00 2.12 O ATOM 1771 CB TYR B 105 5.237 3.082 -13.688 1.00 73.50 C ATOM 1772 CG TYR B 105 6.554 2.412 -13.998 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.017 1.331 -13.260 1.00 33.20 C ATOM 1774 CD2 TYR B 105 7.351 2.895 -15.023 1.00 62.14 C ATOM 1775 CE1 TYR B 105 8.237 0.751 -13.545 1.00 1.32 C ATOM 1776 CE2 TYR B 105 8.569 2.329 -15.308 1.00 3.04 C ATOM 1777 CZ TYR B 105 9.008 1.258 -14.571 1.00 33.11 C ATOM 1778 OH TYR B 105 10.236 0.700 -14.849 1.00 24.32 O ATOM 0 H TYR B 105 3.154 4.361 -13.884 1.00 74.05 H new ATOM 0 HA TYR B 105 4.293 2.143 -15.391 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.327 4.141 -13.928 1.00 73.50 H new ATOM 0 HB3 TYR B 105 5.062 3.012 -12.614 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.415 0.939 -12.453 1.00 33.20 H new ATOM 0 HD2 TYR B 105 7.007 3.734 -15.610 1.00 62.14 H new ATOM 0 HE1 TYR B 105 8.585 -0.094 -12.969 1.00 1.32 H new ATOM 0 HE2 TYR B 105 9.178 2.724 -16.108 1.00 3.04 H new ATOM 0 HH TYR B 105 10.648 1.174 -15.601 1.00 24.32 H new ATOM 1788 N ASN B 106 2.120 1.572 -13.185 1.00 43.42 N ATOM 1789 CA ASN B 106 1.349 0.633 -12.331 1.00 41.25 C ATOM 1790 C ASN B 106 1.797 0.716 -10.872 1.00 40.41 C ATOM 1791 O ASN B 106 2.904 0.281 -10.515 1.00 21.44 O ATOM 1792 CB ASN B 106 1.395 -0.825 -12.835 1.00 44.44 C ATOM 1793 CG ASN B 106 0.657 -1.814 -11.934 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.362 -1.490 -11.306 1.00 64.13 O ATOM 1795 ND2 ASN B 106 1.174 -3.015 -11.847 1.00 53.45 N ATOM 0 H ASN B 106 1.586 2.403 -13.439 1.00 43.42 H new ATOM 0 HA ASN B 106 0.309 0.952 -12.396 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.963 -0.867 -13.835 1.00 44.44 H new ATOM 0 HB3 ASN B 106 2.436 -1.136 -12.924 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.737 -3.716 -11.249 1.00 53.45 H new ATOM 0 HD22 ASN B 106 2.013 -3.249 -12.377 1.00 53.45 H new ATOM 1802 N PRO B 107 0.963 1.329 -10.022 1.00 2.41 N ATOM 1803 CA PRO B 107 1.236 1.465 -8.592 1.00 33.40 C ATOM 1804 C PRO B 107 1.402 0.109 -7.893 1.00 61.13 C ATOM 1805 O PRO B 107 0.482 -0.720 -7.859 1.00 2.50 O ATOM 1806 CB PRO B 107 0.001 2.200 -8.048 1.00 23.24 C ATOM 1807 CG PRO B 107 -0.594 2.869 -9.237 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.324 1.955 -10.390 1.00 12.41 C ATOM 0 HA PRO B 107 2.172 1.994 -8.413 1.00 33.40 H new ATOM 0 HB2 PRO B 107 -0.704 1.506 -7.590 1.00 23.24 H new ATOM 0 HB3 PRO B 107 0.277 2.925 -7.282 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -1.664 3.026 -9.104 1.00 52.51 H new ATOM 0 HG3 PRO B 107 -0.146 3.849 -9.400 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -1.114 1.214 -10.511 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.253 2.501 -11.330 1.00 12.41 H new ATOM 1816 N SER B 108 2.587 -0.116 -7.394 1.00 32.11 N ATOM 1817 CA SER B 108 2.918 -1.293 -6.642 1.00 31.54 C ATOM 1818 C SER B 108 3.343 -0.823 -5.247 1.00 35.33 C ATOM 1819 O SER B 108 3.782 0.330 -5.112 1.00 31.14 O ATOM 1820 CB SER B 108 4.034 -2.035 -7.369 1.00 33.24 C ATOM 1821 OG SER B 108 3.649 -2.286 -8.723 1.00 63.24 O ATOM 0 H SER B 108 3.368 0.531 -7.503 1.00 32.11 H new ATOM 0 HA SER B 108 2.079 -1.982 -6.545 1.00 31.54 H new ATOM 0 HB2 SER B 108 4.950 -1.445 -7.346 1.00 33.24 H new ATOM 0 HB3 SER B 108 4.248 -2.976 -6.862 1.00 33.24 H new ATOM 0 HG SER B 108 4.370 -2.761 -9.185 1.00 63.24 H new ATOM 1827 N LEU B 109 3.224 -1.679 -4.234 1.00 41.22 N ATOM 1828 CA LEU B 109 3.412 -1.249 -2.847 1.00 3.42 C ATOM 1829 C LEU B 109 4.824 -0.770 -2.548 1.00 71.35 C ATOM 1830 O LEU B 109 4.986 0.369 -2.186 1.00 31.14 O ATOM 1831 CB LEU B 109 2.890 -2.311 -1.826 1.00 34.44 C ATOM 1832 CG LEU B 109 2.860 -1.944 -0.293 1.00 23.40 C ATOM 1833 CD1 LEU B 109 4.237 -2.033 0.359 1.00 22.03 C ATOM 1834 CD2 LEU B 109 2.253 -0.547 -0.059 1.00 44.53 C ATOM 0 H LEU B 109 3.000 -2.668 -4.344 1.00 41.22 H new ATOM 0 HA LEU B 109 2.787 -0.366 -2.716 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.876 -2.580 -2.120 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.503 -3.205 -1.939 1.00 34.44 H new ATOM 0 HG LEU B 109 2.222 -2.689 0.183 1.00 23.40 H new ATOM 0 HD11 LEU B 109 4.158 -1.770 1.414 1.00 22.03 H new ATOM 0 HD12 LEU B 109 4.619 -3.050 0.266 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.920 -1.343 -0.137 1.00 22.03 H new ATOM 0 HD21 LEU B 109 2.248 -0.327 1.008 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.850 0.201 -0.581 1.00 44.53 H new ATOM 0 HD23 LEU B 109 1.231 -0.526 -0.439 1.00 44.53 H new ATOM 1846 N GLN B 110 5.833 -1.614 -2.733 1.00 2.30 N ATOM 1847 CA GLN B 110 7.224 -1.262 -2.381 1.00 25.44 C ATOM 1848 C GLN B 110 7.683 0.032 -3.077 1.00 14.52 C ATOM 1849 O GLN B 110 8.259 0.915 -2.433 1.00 12.34 O ATOM 1850 CB GLN B 110 8.162 -2.423 -2.740 1.00 43.20 C ATOM 1851 CG GLN B 110 9.608 -2.251 -2.295 1.00 23.12 C ATOM 1852 CD GLN B 110 9.749 -2.173 -0.789 1.00 1.11 C ATOM 1853 OE1 GLN B 110 9.729 -1.097 -0.194 1.00 21.35 O ATOM 1854 NE2 GLN B 110 9.866 -3.311 -0.160 1.00 45.30 N ATOM 0 H GLN B 110 5.724 -2.550 -3.124 1.00 2.30 H new ATOM 0 HA GLN B 110 7.262 -1.083 -1.306 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.768 -3.337 -2.296 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.146 -2.561 -3.821 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.201 -3.086 -2.669 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.016 -1.345 -2.742 1.00 23.12 H new ATOM 0 HE21 GLN B 110 9.879 -4.185 -0.685 1.00 45.30 H new ATOM 0 HE22 GLN B 110 9.944 -3.326 0.857 1.00 45.30 H new ATOM 1863 N LEU B 111 7.402 0.146 -4.367 1.00 33.52 N ATOM 1864 CA LEU B 111 7.757 1.349 -5.134 1.00 33.42 C ATOM 1865 C LEU B 111 7.087 2.601 -4.566 1.00 12.12 C ATOM 1866 O LEU B 111 7.737 3.619 -4.356 1.00 53.21 O ATOM 1867 CB LEU B 111 7.387 1.189 -6.613 1.00 75.22 C ATOM 1868 CG LEU B 111 8.124 0.092 -7.383 1.00 12.11 C ATOM 1869 CD1 LEU B 111 7.641 0.042 -8.821 1.00 72.44 C ATOM 1870 CD2 LEU B 111 9.632 0.319 -7.334 1.00 1.23 C ATOM 0 H LEU B 111 6.929 -0.575 -4.912 1.00 33.52 H new ATOM 0 HA LEU B 111 8.837 1.471 -5.050 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.317 0.992 -6.678 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.568 2.139 -7.115 1.00 75.22 H new ATOM 0 HG LEU B 111 7.908 -0.866 -6.909 1.00 12.11 H new ATOM 0 HD11 LEU B 111 8.174 -0.743 -9.357 1.00 72.44 H new ATOM 0 HD12 LEU B 111 6.572 -0.168 -8.839 1.00 72.44 H new ATOM 0 HD13 LEU B 111 7.830 1.002 -9.302 1.00 72.44 H new ATOM 0 HD21 LEU B 111 10.137 -0.472 -7.888 1.00 1.23 H new ATOM 0 HD22 LEU B 111 9.869 1.284 -7.782 1.00 1.23 H new ATOM 0 HD23 LEU B 111 9.968 0.308 -6.297 1.00 1.23 H new ATOM 1882 N ALA B 112 5.810 2.489 -4.270 1.00 72.35 N ATOM 1883 CA ALA B 112 5.022 3.601 -3.750 1.00 41.10 C ATOM 1884 C ALA B 112 5.439 3.932 -2.326 1.00 44.34 C ATOM 1885 O ALA B 112 5.520 5.098 -1.931 1.00 24.52 O ATOM 1886 CB ALA B 112 3.536 3.283 -3.809 1.00 4.33 C ATOM 0 H ALA B 112 5.281 1.624 -4.381 1.00 72.35 H new ATOM 0 HA ALA B 112 5.210 4.473 -4.376 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.968 4.126 -3.416 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.244 3.099 -4.843 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.330 2.396 -3.210 1.00 4.33 H new ATOM 1892 N LEU B 113 5.729 2.893 -1.583 1.00 33.43 N ATOM 1893 CA LEU B 113 6.044 2.942 -0.177 1.00 23.45 C ATOM 1894 C LEU B 113 7.272 3.776 0.111 1.00 50.21 C ATOM 1895 O LEU B 113 7.289 4.564 1.058 1.00 21.23 O ATOM 1896 CB LEU B 113 6.305 1.532 0.297 1.00 32.41 C ATOM 1897 CG LEU B 113 6.675 1.384 1.734 1.00 61.44 C ATOM 1898 CD1 LEU B 113 5.537 1.868 2.595 1.00 11.43 C ATOM 1899 CD2 LEU B 113 7.031 -0.055 2.024 1.00 70.53 C ATOM 0 H LEU B 113 5.753 1.946 -1.960 1.00 33.43 H new ATOM 0 HA LEU B 113 5.201 3.400 0.341 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.412 0.935 0.109 1.00 32.41 H new ATOM 0 HB3 LEU B 113 7.105 1.108 -0.309 1.00 32.41 H new ATOM 0 HG LEU B 113 7.551 1.991 1.962 1.00 61.44 H new ATOM 0 HD11 LEU B 113 5.805 1.761 3.646 1.00 11.43 H new ATOM 0 HD12 LEU B 113 5.336 2.917 2.377 1.00 11.43 H new ATOM 0 HD13 LEU B 113 4.645 1.277 2.386 1.00 11.43 H new ATOM 0 HD21 LEU B 113 7.301 -0.158 3.075 1.00 70.53 H new ATOM 0 HD22 LEU B 113 6.175 -0.693 1.805 1.00 70.53 H new ATOM 0 HD23 LEU B 113 7.875 -0.354 1.402 1.00 70.53 H new ATOM 1911 N LYS B 114 8.298 3.594 -0.670 1.00 52.33 N ATOM 1912 CA LYS B 114 9.498 4.353 -0.468 1.00 54.10 C ATOM 1913 C LYS B 114 9.309 5.832 -0.797 1.00 25.41 C ATOM 1914 O LYS B 114 9.863 6.696 -0.121 1.00 42.33 O ATOM 1915 CB LYS B 114 10.736 3.679 -1.078 1.00 63.32 C ATOM 1916 CG LYS B 114 10.560 3.119 -2.483 1.00 23.52 C ATOM 1917 CD LYS B 114 11.732 2.213 -2.855 1.00 64.34 C ATOM 1918 CE LYS B 114 11.866 1.044 -1.864 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.003 0.155 -2.179 1.00 33.32 N ATOM 0 H LYS B 114 8.328 2.933 -1.446 1.00 52.33 H new ATOM 0 HA LYS B 114 9.717 4.352 0.600 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.550 4.404 -1.095 1.00 63.32 H new ATOM 0 HB3 LYS B 114 11.046 2.867 -0.420 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.627 2.558 -2.542 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.485 3.937 -3.199 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.589 1.824 -3.863 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.655 2.793 -2.865 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.989 1.440 -0.856 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.944 0.463 -1.868 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 13.046 -0.614 -1.480 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 12.876 -0.247 -3.130 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.888 0.700 -2.149 1.00 33.32 H new ATOM 1933 N ILE B 115 8.483 6.120 -1.800 1.00 54.11 N ATOM 1934 CA ILE B 115 8.120 7.509 -2.118 1.00 1.24 C ATOM 1935 C ILE B 115 7.401 8.109 -0.900 1.00 2.41 C ATOM 1936 O ILE B 115 7.702 9.225 -0.454 1.00 64.12 O ATOM 1937 CB ILE B 115 7.147 7.591 -3.321 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.677 6.795 -4.499 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.958 9.049 -3.728 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.714 6.698 -5.659 1.00 35.31 C ATOM 0 H ILE B 115 8.053 5.421 -2.405 1.00 54.11 H new ATOM 0 HA ILE B 115 9.034 8.048 -2.368 1.00 1.24 H new ATOM 0 HB ILE B 115 6.189 7.166 -3.021 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.603 7.253 -4.846 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.926 5.789 -4.162 1.00 62.35 H new ATOM 0 HG21 ILE B 115 6.273 9.105 -4.574 1.00 5.22 H new ATOM 0 HG22 ILE B 115 6.545 9.610 -2.890 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.920 9.475 -4.011 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.167 6.114 -6.460 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.796 6.212 -5.330 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.483 7.698 -6.025 1.00 35.31 H new ATOM 1952 N ALA B 116 6.512 7.299 -0.332 1.00 44.20 N ATOM 1953 CA ALA B 116 5.704 7.654 0.829 1.00 11.21 C ATOM 1954 C ALA B 116 6.584 7.924 2.023 1.00 70.10 C ATOM 1955 O ALA B 116 6.287 8.770 2.845 1.00 34.45 O ATOM 1956 CB ALA B 116 4.784 6.511 1.167 1.00 53.40 C ATOM 0 H ALA B 116 6.330 6.356 -0.675 1.00 44.20 H new ATOM 0 HA ALA B 116 5.131 8.550 0.589 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.179 6.775 2.035 1.00 53.40 H new ATOM 0 HB2 ALA B 116 4.131 6.306 0.319 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.375 5.623 1.393 1.00 53.40 H new ATOM 1962 N TYR B 117 7.659 7.180 2.104 1.00 50.04 N ATOM 1963 CA TYR B 117 8.619 7.304 3.162 1.00 11.22 C ATOM 1964 C TYR B 117 9.354 8.639 3.097 1.00 40.54 C ATOM 1965 O TYR B 117 9.460 9.346 4.104 1.00 51.22 O ATOM 1966 CB TYR B 117 9.584 6.107 3.121 1.00 31.54 C ATOM 1967 CG TYR B 117 10.809 6.248 3.974 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.771 6.081 5.353 1.00 73.13 C ATOM 1969 CD2 TYR B 117 12.005 6.566 3.385 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.915 6.230 6.112 1.00 33.41 C ATOM 1971 CE2 TYR B 117 13.154 6.720 4.127 1.00 14.05 C ATOM 1972 CZ TYR B 117 13.105 6.552 5.493 1.00 45.04 C ATOM 1973 OH TYR B 117 14.254 6.719 6.249 1.00 12.24 O ATOM 0 H TYR B 117 7.892 6.459 1.421 1.00 50.04 H new ATOM 0 HA TYR B 117 8.097 7.292 4.119 1.00 11.22 H new ATOM 0 HB2 TYR B 117 9.043 5.214 3.434 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.895 5.946 2.089 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.838 5.832 5.836 1.00 73.13 H new ATOM 0 HD2 TYR B 117 12.047 6.699 2.314 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.878 6.095 7.183 1.00 33.41 H new ATOM 0 HE2 TYR B 117 14.086 6.970 3.642 1.00 14.05 H new ATOM 0 HH TYR B 117 15.004 6.942 5.659 1.00 12.24 H new ATOM 1983 N TYR B 118 9.835 8.996 1.923 1.00 52.41 N ATOM 1984 CA TYR B 118 10.575 10.242 1.771 1.00 3.45 C ATOM 1985 C TYR B 118 9.677 11.462 1.841 1.00 25.43 C ATOM 1986 O TYR B 118 10.025 12.452 2.487 1.00 40.30 O ATOM 1987 CB TYR B 118 11.427 10.263 0.508 1.00 51.32 C ATOM 1988 CG TYR B 118 12.579 9.291 0.541 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.755 9.599 1.213 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.501 8.080 -0.106 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.815 8.718 1.229 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.548 7.193 -0.091 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.701 7.515 0.574 1.00 75.33 C ATOM 1994 OH TYR B 118 15.759 6.634 0.563 1.00 10.50 O ATOM 0 H TYR B 118 9.731 8.451 1.067 1.00 52.41 H new ATOM 0 HA TYR B 118 11.254 10.288 2.623 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.795 10.035 -0.350 1.00 51.32 H new ATOM 0 HB3 TYR B 118 11.816 11.270 0.359 1.00 51.32 H new ATOM 0 HD1 TYR B 118 13.840 10.543 1.731 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.597 7.822 -0.637 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.726 8.970 1.751 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.463 6.245 -0.601 1.00 0.00 H new ATOM 0 HH TYR B 118 16.027 6.456 -0.363 1.00 10.50 H new ATOM 2004 N LEU B 119 8.523 11.389 1.212 1.00 43.52 N ATOM 2005 CA LEU B 119 7.578 12.504 1.222 1.00 35.04 C ATOM 2006 C LEU B 119 6.830 12.587 2.554 1.00 52.42 C ATOM 2007 O LEU B 119 6.331 13.648 2.920 1.00 34.31 O ATOM 2008 CB LEU B 119 6.597 12.400 0.051 1.00 34.25 C ATOM 2009 CG LEU B 119 7.199 12.542 -1.356 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.136 12.316 -2.417 1.00 73.24 C ATOM 2011 CD2 LEU B 119 7.820 13.917 -1.533 1.00 30.33 C ATOM 0 H LEU B 119 8.210 10.573 0.686 1.00 43.52 H new ATOM 0 HA LEU B 119 8.150 13.424 1.105 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.093 11.436 0.112 1.00 34.25 H new ATOM 0 HB3 LEU B 119 5.833 13.167 0.175 1.00 34.25 H new ATOM 0 HG LEU B 119 7.976 11.786 -1.470 1.00 75.05 H new ATOM 0 HD11 LEU B 119 6.581 12.421 -3.406 1.00 73.24 H new ATOM 0 HD12 LEU B 119 5.722 11.313 -2.310 1.00 73.24 H new ATOM 0 HD13 LEU B 119 5.341 13.052 -2.298 1.00 73.24 H new ATOM 0 HD21 LEU B 119 8.241 14.000 -2.535 1.00 30.33 H new ATOM 0 HD22 LEU B 119 7.055 14.682 -1.397 1.00 30.33 H new ATOM 0 HD23 LEU B 119 8.609 14.057 -0.795 1.00 30.33 H new ATOM 2022 N ASN B 120 6.836 11.474 3.277 1.00 23.44 N ATOM 2023 CA ASN B 120 6.176 11.288 4.584 1.00 34.54 C ATOM 2024 C ASN B 120 4.711 11.708 4.603 1.00 23.31 C ATOM 2025 O ASN B 120 4.376 12.860 4.881 1.00 53.04 O ATOM 2026 CB ASN B 120 6.963 11.925 5.739 1.00 0.13 C ATOM 2027 CG ASN B 120 6.311 11.668 7.092 1.00 2.32 C ATOM 2028 OD1 ASN B 120 5.512 12.468 7.584 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.631 10.562 7.688 1.00 61.11 N ATOM 0 H ASN B 120 7.320 10.633 2.963 1.00 23.44 H new ATOM 0 HA ASN B 120 6.178 10.210 4.744 1.00 34.54 H new ATOM 0 HB2 ASN B 120 7.978 11.529 5.746 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.041 13.000 5.574 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.218 10.332 8.592 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.296 9.922 7.253 1.00 61.11 H new ATOM 2036 N THR B 121 3.853 10.792 4.249 1.00 45.02 N ATOM 2037 CA THR B 121 2.419 11.004 4.254 1.00 24.13 C ATOM 2038 C THR B 121 1.752 9.621 4.409 1.00 75.14 C ATOM 2039 O THR B 121 2.339 8.618 3.966 1.00 45.22 O ATOM 2040 CB THR B 121 1.974 11.682 2.907 1.00 33.24 C ATOM 2041 OG1 THR B 121 2.719 12.890 2.706 1.00 22.11 O ATOM 2042 CG2 THR B 121 0.494 12.031 2.909 1.00 53.13 C ATOM 0 H THR B 121 4.128 9.859 3.943 1.00 45.02 H new ATOM 0 HA THR B 121 2.124 11.662 5.072 1.00 24.13 H new ATOM 0 HB THR B 121 2.164 10.967 2.106 1.00 33.24 H new ATOM 0 HG1 THR B 121 2.176 13.528 2.198 1.00 22.11 H new ATOM 0 HG21 THR B 121 0.229 12.497 1.960 1.00 53.13 H new ATOM 0 HG22 THR B 121 -0.094 11.123 3.044 1.00 53.13 H new ATOM 0 HG23 THR B 121 0.285 12.723 3.724 1.00 53.13 H new ATOM 2050 N PRO B 122 0.598 9.513 5.122 1.00 2.53 N ATOM 2051 CA PRO B 122 -0.141 8.248 5.224 1.00 62.14 C ATOM 2052 C PRO B 122 -0.560 7.759 3.839 1.00 22.43 C ATOM 2053 O PRO B 122 -0.965 8.564 2.983 1.00 73.34 O ATOM 2054 CB PRO B 122 -1.385 8.601 6.048 1.00 52.13 C ATOM 2055 CG PRO B 122 -1.038 9.861 6.764 1.00 3.21 C ATOM 2056 CD PRO B 122 -0.044 10.586 5.907 1.00 22.03 C ATOM 0 HA PRO B 122 0.457 7.456 5.675 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -2.255 8.740 5.407 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -1.631 7.804 6.750 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.927 10.471 6.926 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -0.617 9.644 7.746 1.00 3.21 H new ATOM 0 HD2 PRO B 122 -0.531 11.317 5.261 1.00 22.03 H new ATOM 0 HD3 PRO B 122 0.683 11.129 6.511 1.00 22.03 H new ATOM 2064 N LEU B 123 -0.480 6.459 3.629 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.767 5.846 2.331 1.00 13.13 C ATOM 2066 C LEU B 123 -2.163 6.173 1.812 1.00 71.12 C ATOM 2067 O LEU B 123 -2.335 6.407 0.619 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.538 4.318 2.346 1.00 34.12 C ATOM 2069 CG LEU B 123 0.929 3.811 2.317 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.656 4.301 1.073 1.00 35.04 C ATOM 2071 CD2 LEU B 123 1.698 4.160 3.582 1.00 13.21 C ATOM 0 H LEU B 123 -0.214 5.790 4.351 1.00 62.42 H new ATOM 0 HA LEU B 123 -0.054 6.290 1.637 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -1.015 3.916 3.240 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -1.058 3.892 1.488 1.00 34.12 H new ATOM 0 HG LEU B 123 0.882 2.723 2.276 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.681 3.930 1.081 1.00 35.04 H new ATOM 0 HD12 LEU B 123 1.144 3.934 0.184 1.00 35.04 H new ATOM 0 HD13 LEU B 123 1.665 5.391 1.062 1.00 35.04 H new ATOM 0 HD21 LEU B 123 2.717 3.780 3.505 1.00 13.21 H new ATOM 0 HD22 LEU B 123 1.722 5.243 3.706 1.00 13.21 H new ATOM 0 HD23 LEU B 123 1.206 3.707 4.443 1.00 13.21 H new ATOM 2082 N GLU B 124 -3.141 6.226 2.710 1.00 41.15 N ATOM 2083 CA GLU B 124 -4.537 6.521 2.356 1.00 25.13 C ATOM 2084 C GLU B 124 -4.698 7.912 1.744 1.00 23.31 C ATOM 2085 O GLU B 124 -5.603 8.145 0.931 1.00 41.22 O ATOM 2086 CB GLU B 124 -5.406 6.420 3.595 1.00 25.40 C ATOM 2087 CG GLU B 124 -5.373 5.060 4.241 1.00 63.30 C ATOM 2088 CD GLU B 124 -6.000 5.068 5.594 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -7.230 4.980 5.698 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -5.273 5.205 6.588 1.00 71.30 O ATOM 0 H GLU B 124 -2.994 6.066 3.707 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.845 5.790 1.609 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -5.080 7.166 4.320 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -6.435 6.662 3.329 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.893 4.344 3.605 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -4.340 4.722 4.322 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.878 8.848 2.186 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.906 10.207 1.647 1.00 63.41 C ATOM 2099 C ASP B 125 -3.313 10.215 0.239 1.00 42.14 C ATOM 2100 O ASP B 125 -3.864 10.838 -0.693 1.00 72.41 O ATOM 2101 CB ASP B 125 -3.145 11.182 2.557 1.00 22.41 C ATOM 2102 CG ASP B 125 -3.332 12.641 2.159 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -2.574 13.159 1.335 1.00 14.52 O ATOM 2104 OD2 ASP B 125 -4.248 13.298 2.698 1.00 60.45 O ATOM 0 H ASP B 125 -3.182 8.698 2.917 1.00 34.01 H new ATOM 0 HA ASP B 125 -4.943 10.539 1.601 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -3.480 11.046 3.585 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -2.083 10.938 2.533 1.00 22.41 H new ATOM 2109 N ILE B 126 -2.240 9.438 0.095 1.00 25.13 N ATOM 2110 CA ILE B 126 -1.445 9.363 -1.134 1.00 73.13 C ATOM 2111 C ILE B 126 -2.212 8.638 -2.238 1.00 51.12 C ATOM 2112 O ILE B 126 -2.312 9.116 -3.364 1.00 44.15 O ATOM 2113 CB ILE B 126 -0.083 8.663 -0.893 1.00 50.03 C ATOM 2114 CG1 ILE B 126 0.682 9.376 0.223 1.00 75.01 C ATOM 2115 CG2 ILE B 126 0.744 8.660 -2.176 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.005 8.737 0.573 1.00 50.54 C ATOM 0 H ILE B 126 -1.892 8.833 0.839 1.00 25.13 H new ATOM 0 HA ILE B 126 -1.251 10.387 -1.451 1.00 73.13 H new ATOM 0 HB ILE B 126 -0.267 7.631 -0.593 1.00 50.03 H new ATOM 0 HG12 ILE B 126 0.858 10.409 -0.075 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.057 9.404 1.116 1.00 75.01 H new ATOM 0 HG21 ILE B 126 1.698 8.166 -1.993 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.202 8.126 -2.957 1.00 14.41 H new ATOM 0 HG23 ILE B 126 0.923 9.687 -2.496 1.00 14.41 H new ATOM 0 HD11 ILE B 126 2.483 9.304 1.372 1.00 50.54 H new ATOM 0 HD12 ILE B 126 1.838 7.712 0.905 1.00 50.54 H new ATOM 0 HD13 ILE B 126 2.651 8.733 -0.305 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.703 7.475 -1.932 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.527 6.761 -2.859 1.00 22.52 C ATOM 2130 C PHE B 127 -4.875 6.562 -2.241 1.00 61.31 C ATOM 2131 O PHE B 127 -4.982 6.249 -1.056 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.901 5.399 -3.248 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.647 5.510 -4.071 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -1.721 5.684 -5.442 1.00 71.31 C ATOM 2135 CD2 PHE B 127 -0.400 5.432 -3.477 1.00 50.52 C ATOM 2136 CE1 PHE B 127 -0.574 5.782 -6.205 1.00 50.13 C ATOM 2137 CE2 PHE B 127 0.751 5.531 -4.235 1.00 53.10 C ATOM 2138 CZ PHE B 127 0.664 5.706 -5.601 1.00 22.32 C ATOM 0 H PHE B 127 -2.546 6.999 -1.044 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.617 7.343 -3.776 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.677 4.842 -2.338 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.637 4.819 -3.804 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -2.687 5.744 -5.921 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.325 5.292 -2.409 1.00 50.52 H new ATOM 0 HE1 PHE B 127 -0.646 5.918 -7.274 1.00 50.13 H new ATOM 0 HE2 PHE B 127 1.718 5.471 -3.759 1.00 53.10 H new ATOM 0 HZ PHE B 127 1.562 5.783 -6.195 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.898 6.708 -3.018 1.00 72.24 N ATOM 2149 CA GLN B 128 -7.218 6.526 -2.511 1.00 2.15 C ATOM 2150 C GLN B 128 -7.917 5.456 -3.281 1.00 41.21 C ATOM 2151 O GLN B 128 -7.843 5.406 -4.509 1.00 54.12 O ATOM 2152 CB GLN B 128 -8.028 7.830 -2.484 1.00 43.12 C ATOM 2153 CG GLN B 128 -9.417 7.654 -1.875 1.00 54.21 C ATOM 2154 CD GLN B 128 -10.163 8.947 -1.688 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -10.065 9.584 -0.640 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -10.908 9.342 -2.667 1.00 41.41 N ATOM 0 H GLN B 128 -5.845 6.953 -4.007 1.00 72.24 H new ATOM 0 HA GLN B 128 -7.133 6.210 -1.471 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -7.480 8.581 -1.915 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -8.128 8.211 -3.500 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -10.004 6.995 -2.515 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -9.321 7.157 -0.910 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -10.964 8.787 -3.521 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -11.440 10.209 -2.586 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.559 4.602 -2.567 1.00 13.44 N ATOM 2166 CA TRP B 129 -9.250 3.500 -3.125 1.00 61.35 C ATOM 2167 C TRP B 129 -10.738 3.619 -2.895 1.00 61.52 C ATOM 2168 O TRP B 129 -11.197 3.846 -1.771 1.00 24.43 O ATOM 2169 CB TRP B 129 -8.679 2.194 -2.581 1.00 14.01 C ATOM 2170 CG TRP B 129 -8.397 2.193 -1.088 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -9.276 1.959 -0.074 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -7.120 2.424 -0.464 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -8.631 2.049 1.136 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -7.309 2.323 0.922 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -5.838 2.708 -0.952 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -6.263 2.494 1.828 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -4.806 2.873 -0.055 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -5.020 2.767 1.319 1.00 31.53 C ATOM 0 H TRP B 129 -8.619 4.654 -1.550 1.00 13.44 H new ATOM 0 HA TRP B 129 -9.103 3.498 -4.205 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -9.377 1.388 -2.805 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.753 1.970 -3.111 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -10.325 1.736 -0.202 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -9.069 1.930 2.049 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -5.662 2.796 -2.014 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -6.426 2.414 2.893 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -3.813 3.088 -0.422 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -4.189 2.903 1.996 1.00 31.53 H new ATOM 2189 N GLN B 130 -11.470 3.516 -3.959 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.900 3.597 -3.930 1.00 11.44 C ATOM 2191 C GLN B 130 -13.496 2.353 -4.549 1.00 30.22 C ATOM 2192 O GLN B 130 -13.516 2.210 -5.775 1.00 33.31 O ATOM 2193 CB GLN B 130 -13.396 4.839 -4.677 1.00 44.22 C ATOM 2194 CG GLN B 130 -13.003 6.166 -4.046 1.00 32.13 C ATOM 2195 CD GLN B 130 -13.697 6.442 -2.722 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -14.037 5.530 -1.958 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.931 7.685 -2.449 1.00 53.21 N ATOM 0 H GLN B 130 -11.085 3.370 -4.892 1.00 35.50 H new ATOM 0 HA GLN B 130 -13.218 3.675 -2.890 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -13.011 4.810 -5.696 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -14.483 4.794 -4.746 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.924 6.179 -3.890 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -13.234 6.972 -4.742 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -13.638 8.414 -3.100 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -14.408 7.936 -1.583 1.00 53.21 H new ATOM 2206 N PRO B 131 -13.935 1.400 -3.718 1.00 63.05 N ATOM 2207 CA PRO B 131 -14.600 0.181 -4.193 1.00 13.14 C ATOM 2208 C PRO B 131 -16.005 0.501 -4.700 1.00 44.11 C ATOM 2209 O PRO B 131 -16.629 -0.284 -5.426 1.00 4.41 O ATOM 2210 CB PRO B 131 -14.674 -0.706 -2.933 1.00 11.15 C ATOM 2211 CG PRO B 131 -13.737 -0.071 -1.962 1.00 34.32 C ATOM 2212 CD PRO B 131 -13.781 1.392 -2.258 1.00 62.43 C ATOM 0 HA PRO B 131 -14.073 -0.295 -5.020 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -15.688 -0.745 -2.536 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -14.379 -1.732 -3.154 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -14.041 -0.272 -0.935 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -12.727 -0.464 -2.078 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -14.614 1.885 -1.757 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -12.871 1.901 -1.940 1.00 62.43 H new ATOM 2220 N GLU B 132 -16.491 1.647 -4.304 1.00 22.55 N ATOM 2221 CA GLU B 132 -17.761 2.152 -4.708 1.00 60.44 C ATOM 2222 C GLU B 132 -17.525 3.514 -5.293 1.00 3.22 C ATOM 2223 O GLU B 132 -17.690 3.692 -6.509 1.00 11.44 O ATOM 2224 CB GLU B 132 -18.705 2.263 -3.518 1.00 14.51 C ATOM 2225 CG GLU B 132 -18.962 0.953 -2.807 1.00 33.32 C ATOM 2226 CD GLU B 132 -19.820 1.139 -1.597 1.00 75.24 C ATOM 2227 OE1 GLU B 132 -19.278 1.484 -0.530 1.00 31.01 O ATOM 2228 OE2 GLU B 132 -21.044 0.928 -1.688 1.00 24.43 O ATOM 2229 OXT GLU B 132 -17.082 4.398 -4.554 1.00 0.00 O ATOM 0 H GLU B 132 -15.991 2.270 -3.670 1.00 22.55 H new ATOM 0 HA GLU B 132 -18.221 1.480 -5.433 1.00 60.44 H new ATOM 0 HB2 GLU B 132 -18.291 2.975 -2.805 1.00 14.51 H new ATOM 0 HB3 GLU B 132 -19.656 2.671 -3.860 1.00 14.51 H new ATOM 0 HG2 GLU B 132 -19.445 0.256 -3.492 1.00 33.32 H new ATOM 0 HG3 GLU B 132 -18.012 0.506 -2.514 1.00 33.32 H new TER 2236 GLU B 132