USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 930 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot -113:sc= 0.201 USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.172 K(o=0.029,f=-1) USER MOD Set 2.1: A 10 GLN : amide:sc= 0.21 K(o=0.46,f=-2.6) USER MOD Set 2.2: A 11 LYS NZ :NH3+ -164:sc= 0.254 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0927 F(o=-1.4,f=-0.093) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.1!) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.179 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.256 F(o=-1.5,f=-0.26) USER MOD Single : A 25 MET CE :methyl -153:sc= -1.39 (180deg=-2.03) USER MOD Single : A 32 CYS SG : rot -139:sc= -1.32! USER MOD Single : A 33 GLN : amide:sc= -0.749 K(o=-0.75,f=-2.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.782 K(o=-0.78,f=-4.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0381 K(o=0.038,f=-2.6!) USER MOD Single : A 79 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-5.4!) USER MOD Single : A 81 THR OG1 : rot -77:sc= 0.301 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.69) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 143:sc= 0.0179 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0562 USER MOD Single : A 103 ASN : amide:sc= -0.0477 X(o=-0.048,f=-0.34) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0128) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 1.981 -2.460 -0.444 1.00 0.00 N ATOM 21 CA ASN A 2 2.341 -3.893 -0.492 1.00 0.00 C ATOM 22 C ASN A 2 1.069 -4.750 -0.332 1.00 0.00 C ATOM 23 O ASN A 2 1.137 -5.940 0.003 1.00 0.00 O ATOM 24 CB ASN A 2 3.398 -4.211 0.604 1.00 0.00 C ATOM 25 CG ASN A 2 2.973 -3.803 2.019 1.00 0.00 C ATOM 26 OD1 ASN A 2 2.298 -4.696 2.731 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 3.252 -2.688 2.466 1.00 0.00 N flip ATOM 0 HA ASN A 2 2.787 -4.133 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.607 -5.281 0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.329 -3.702 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.772 -2.024 1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.962 -2.430 3.409 1.00 0.00 H new ATOM 34 N SER A 3 -0.089 -4.125 -0.638 1.00 0.00 N ATOM 35 CA SER A 3 -1.418 -4.725 -0.458 1.00 0.00 C ATOM 36 C SER A 3 -1.635 -5.881 -1.444 1.00 0.00 C ATOM 37 O SER A 3 -2.067 -6.956 -1.042 1.00 0.00 O ATOM 38 CB SER A 3 -2.513 -3.648 -0.639 1.00 0.00 C ATOM 39 OG SER A 3 -3.798 -4.144 -0.297 1.00 0.00 O ATOM 0 H SER A 3 -0.121 -3.180 -1.021 1.00 0.00 H new ATOM 0 HA SER A 3 -1.481 -5.128 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.279 -2.783 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.519 -3.305 -1.674 1.00 0.00 H new ATOM 0 HG SER A 3 -4.465 -3.437 -0.422 1.00 0.00 H new ATOM 45 N GLU A 4 -1.277 -5.650 -2.726 1.00 0.00 N ATOM 46 CA GLU A 4 -1.457 -6.634 -3.828 1.00 0.00 C ATOM 47 C GLU A 4 -0.684 -7.948 -3.592 1.00 0.00 C ATOM 48 O GLU A 4 -0.931 -8.947 -4.273 1.00 0.00 O ATOM 49 CB GLU A 4 -1.000 -6.032 -5.179 1.00 0.00 C ATOM 50 CG GLU A 4 0.510 -5.686 -5.237 1.00 0.00 C ATOM 51 CD GLU A 4 1.055 -5.534 -6.665 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.905 -4.441 -7.257 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.655 -6.503 -7.194 1.00 0.00 O ATOM 0 H GLU A 4 -0.853 -4.774 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.522 -6.864 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.231 -6.738 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.577 -5.129 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.682 -4.758 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.072 -6.466 -4.724 1.00 0.00 H new ATOM 60 N ILE A 5 0.292 -7.911 -2.675 1.00 0.00 N ATOM 61 CA ILE A 5 1.095 -9.082 -2.308 1.00 0.00 C ATOM 62 C ILE A 5 0.383 -9.866 -1.189 1.00 0.00 C ATOM 63 O ILE A 5 0.436 -11.094 -1.143 1.00 0.00 O ATOM 64 CB ILE A 5 2.535 -8.654 -1.834 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.198 -7.640 -2.828 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.438 -9.885 -1.629 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.338 -8.132 -4.264 1.00 0.00 C ATOM 0 H ILE A 5 0.547 -7.065 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 5 1.203 -9.717 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 5 2.421 -8.148 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.609 -6.723 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.188 -7.382 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.426 -9.561 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.000 -10.535 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.528 -10.431 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.808 -7.357 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.955 -9.031 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.352 -8.361 -4.668 1.00 0.00 H new ATOM 79 N GLU A 6 -0.299 -9.129 -0.300 1.00 0.00 N ATOM 80 CA GLU A 6 -1.042 -9.717 0.826 1.00 0.00 C ATOM 81 C GLU A 6 -2.474 -10.110 0.430 1.00 0.00 C ATOM 82 O GLU A 6 -3.081 -10.894 1.137 1.00 0.00 O ATOM 83 CB GLU A 6 -1.075 -8.734 2.017 1.00 0.00 C ATOM 84 CG GLU A 6 0.313 -8.316 2.521 1.00 0.00 C ATOM 85 CD GLU A 6 0.240 -7.331 3.691 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.097 -6.151 3.458 1.00 0.00 O ATOM 87 OE2 GLU A 6 0.481 -7.737 4.850 1.00 0.00 O ATOM 0 H GLU A 6 -0.352 -8.111 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.519 -10.627 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.627 -7.841 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.625 -9.193 2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.866 -9.203 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.872 -7.862 1.702 1.00 0.00 H new ATOM 94 N LEU A 7 -3.003 -9.574 -0.694 1.00 0.00 N ATOM 95 CA LEU A 7 -4.377 -9.900 -1.164 1.00 0.00 C ATOM 96 C LEU A 7 -4.495 -11.414 -1.506 1.00 0.00 C ATOM 97 O LEU A 7 -5.424 -12.060 -1.018 1.00 0.00 O ATOM 98 CB LEU A 7 -4.833 -9.039 -2.390 1.00 0.00 C ATOM 99 CG LEU A 7 -4.982 -7.508 -2.170 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.413 -6.782 -3.468 1.00 0.00 C ATOM 101 CD2 LEU A 7 -5.942 -7.193 -1.007 1.00 0.00 C ATOM 0 H LEU A 7 -2.504 -8.916 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.045 -9.655 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.117 -9.196 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.792 -9.425 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.998 -7.127 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.506 -5.714 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.664 -6.946 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.373 -7.175 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.021 -6.113 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.927 -7.606 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.558 -7.637 -0.088 1.00 0.00 H new ATOM 113 N PRO A 8 -3.557 -12.014 -2.335 1.00 0.00 N ATOM 114 CA PRO A 8 -3.525 -13.474 -2.556 1.00 0.00 C ATOM 115 C PRO A 8 -3.374 -14.250 -1.246 1.00 0.00 C ATOM 116 O PRO A 8 -4.195 -15.105 -0.926 1.00 0.00 O ATOM 117 CB PRO A 8 -2.295 -13.688 -3.493 1.00 0.00 C ATOM 118 CG PRO A 8 -1.508 -12.427 -3.404 1.00 0.00 C ATOM 119 CD PRO A 8 -2.513 -11.344 -3.155 1.00 0.00 C ATOM 0 HA PRO A 8 -4.453 -13.844 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.702 -14.545 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.611 -13.883 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.777 -12.477 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.954 -12.244 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.070 -10.500 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.924 -10.957 -4.087 1.00 0.00 H new ATOM 127 N VAL A 9 -2.357 -13.858 -0.473 1.00 0.00 N ATOM 128 CA VAL A 9 -1.919 -14.554 0.742 1.00 0.00 C ATOM 129 C VAL A 9 -3.003 -14.553 1.860 1.00 0.00 C ATOM 130 O VAL A 9 -3.134 -15.524 2.621 1.00 0.00 O ATOM 131 CB VAL A 9 -0.561 -13.919 1.213 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.055 -14.541 2.517 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.511 -14.042 0.094 1.00 0.00 C ATOM 0 H VAL A 9 -1.801 -13.028 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.763 -15.608 0.515 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.746 -12.863 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.886 -14.071 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.793 -14.386 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.103 -15.610 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.446 -13.598 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.673 -15.094 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.166 -13.521 -0.799 1.00 0.00 H new ATOM 143 N GLN A 10 -3.813 -13.491 1.894 1.00 0.00 N ATOM 144 CA GLN A 10 -4.919 -13.327 2.869 1.00 0.00 C ATOM 145 C GLN A 10 -6.068 -14.285 2.509 1.00 0.00 C ATOM 146 O GLN A 10 -6.567 -15.026 3.365 1.00 0.00 O ATOM 147 CB GLN A 10 -5.370 -11.833 2.884 1.00 0.00 C ATOM 148 CG GLN A 10 -6.394 -11.403 3.970 1.00 0.00 C ATOM 149 CD GLN A 10 -7.862 -11.623 3.587 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.468 -10.771 2.944 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.437 -12.745 3.984 1.00 0.00 N ATOM 0 H GLN A 10 -3.727 -12.709 1.245 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.588 -13.583 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.480 -11.214 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.797 -11.601 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.185 -11.955 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.245 -10.347 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.903 -13.431 4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.415 -12.925 3.757 1.00 0.00 H new ATOM 160 N LYS A 11 -6.444 -14.291 1.215 1.00 0.00 N ATOM 161 CA LYS A 11 -7.540 -15.141 0.696 1.00 0.00 C ATOM 162 C LYS A 11 -7.129 -16.624 0.687 1.00 0.00 C ATOM 163 O LYS A 11 -7.989 -17.504 0.736 1.00 0.00 O ATOM 164 CB LYS A 11 -7.975 -14.704 -0.725 1.00 0.00 C ATOM 165 CG LYS A 11 -8.358 -13.215 -0.865 1.00 0.00 C ATOM 166 CD LYS A 11 -9.457 -12.758 0.119 1.00 0.00 C ATOM 167 CE LYS A 11 -9.801 -11.268 -0.050 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.779 -10.810 0.962 1.00 0.00 N ATOM 0 H LYS A 11 -6.001 -13.711 0.502 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.390 -15.015 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.163 -14.921 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.826 -15.312 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.468 -12.605 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.697 -13.031 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.354 -13.357 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.126 -12.940 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.891 -10.674 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.205 -11.100 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.188 -9.902 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.536 -11.516 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.301 -10.689 1.877 1.00 0.00 H new ATOM 182 N GLN A 12 -5.802 -16.876 0.606 1.00 0.00 N ATOM 183 CA GLN A 12 -5.231 -18.236 0.684 1.00 0.00 C ATOM 184 C GLN A 12 -5.563 -18.875 2.027 1.00 0.00 C ATOM 185 O GLN A 12 -5.960 -20.026 2.071 1.00 0.00 O ATOM 186 CB GLN A 12 -3.694 -18.231 0.520 1.00 0.00 C ATOM 187 CG GLN A 12 -3.190 -18.089 -0.912 1.00 0.00 C ATOM 188 CD GLN A 12 -1.668 -18.108 -0.961 1.00 0.00 C ATOM 189 OE1 GLN A 12 -1.010 -17.075 -0.935 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.100 -19.290 -0.983 1.00 0.00 N ATOM 0 H GLN A 12 -5.102 -16.144 0.485 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.672 -18.807 -0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.285 -17.414 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.298 -19.157 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.587 -18.900 -1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.559 -17.157 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.675 -20.132 -1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.083 -19.367 -0.979 1.00 0.00 H new ATOM 199 N LEU A 13 -5.357 -18.103 3.114 1.00 0.00 N ATOM 200 CA LEU A 13 -5.653 -18.546 4.491 1.00 0.00 C ATOM 201 C LEU A 13 -7.108 -18.963 4.588 1.00 0.00 C ATOM 202 O LEU A 13 -7.411 -20.057 5.084 1.00 0.00 O ATOM 203 CB LEU A 13 -5.352 -17.401 5.495 1.00 0.00 C ATOM 204 CG LEU A 13 -5.451 -17.699 7.038 1.00 0.00 C ATOM 205 CD1 LEU A 13 -6.883 -17.877 7.592 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.540 -18.874 7.446 1.00 0.00 C ATOM 0 H LEU A 13 -4.981 -17.156 3.061 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.021 -19.399 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.343 -17.041 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.034 -16.580 5.273 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.089 -16.786 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.837 -18.078 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.456 -16.966 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.367 -18.713 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.633 -19.052 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.837 -19.771 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.504 -18.631 7.208 1.00 0.00 H new ATOM 218 N GLU A 14 -7.991 -18.071 4.107 1.00 0.00 N ATOM 219 CA GLU A 14 -9.440 -18.275 4.181 1.00 0.00 C ATOM 220 C GLU A 14 -9.810 -19.589 3.477 1.00 0.00 C ATOM 221 O GLU A 14 -10.521 -20.425 4.017 1.00 0.00 O ATOM 222 CB GLU A 14 -10.202 -17.098 3.524 1.00 0.00 C ATOM 223 CG GLU A 14 -9.846 -15.708 4.074 1.00 0.00 C ATOM 224 CD GLU A 14 -10.048 -15.572 5.593 1.00 0.00 C ATOM 225 OE1 GLU A 14 -11.214 -15.620 6.052 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.051 -15.426 6.331 1.00 0.00 O ATOM 0 H GLU A 14 -7.719 -17.196 3.660 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.728 -18.324 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.004 -17.110 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.272 -17.260 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.806 -15.488 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.455 -14.960 3.567 1.00 0.00 H new ATOM 233 N ALA A 15 -9.219 -19.753 2.290 1.00 0.00 N ATOM 234 CA ALA A 15 -9.368 -20.928 1.429 1.00 0.00 C ATOM 235 C ALA A 15 -8.698 -22.183 2.034 1.00 0.00 C ATOM 236 O ALA A 15 -9.116 -23.305 1.743 1.00 0.00 O ATOM 237 CB ALA A 15 -8.765 -20.610 0.053 1.00 0.00 C ATOM 0 H ALA A 15 -8.602 -19.046 1.889 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.430 -21.154 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.869 -21.477 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.288 -19.761 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.709 -20.366 0.166 1.00 0.00 H new ATOM 243 N TYR A 16 -7.662 -21.976 2.879 1.00 0.00 N ATOM 244 CA TYR A 16 -6.846 -23.076 3.439 1.00 0.00 C ATOM 245 C TYR A 16 -7.656 -23.828 4.512 1.00 0.00 C ATOM 246 O TYR A 16 -7.621 -25.064 4.587 1.00 0.00 O ATOM 247 CB TYR A 16 -5.531 -22.482 4.022 1.00 0.00 C ATOM 248 CG TYR A 16 -4.460 -23.491 4.474 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.870 -24.378 3.566 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.006 -23.523 5.798 1.00 0.00 C ATOM 251 CE1 TYR A 16 -2.876 -25.254 3.962 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.016 -24.402 6.195 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.453 -25.263 5.275 1.00 0.00 C ATOM 254 OH TYR A 16 -1.457 -26.137 5.670 1.00 0.00 O ATOM 0 H TYR A 16 -7.370 -21.049 3.189 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.585 -23.792 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.088 -21.830 3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.789 -21.854 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.197 -24.378 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.437 -22.848 6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.432 -25.929 3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.684 -24.415 7.223 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.855 -26.310 4.916 1.00 0.00 H new ATOM 264 N ASN A 17 -8.428 -23.062 5.307 1.00 0.00 N ATOM 265 CA ASN A 17 -9.273 -23.621 6.374 1.00 0.00 C ATOM 266 C ASN A 17 -10.696 -23.943 5.862 1.00 0.00 C ATOM 267 O ASN A 17 -11.329 -24.880 6.356 1.00 0.00 O ATOM 268 CB ASN A 17 -9.324 -22.664 7.601 1.00 0.00 C ATOM 269 CG ASN A 17 -10.021 -21.327 7.328 1.00 0.00 C ATOM 270 OD1 ASN A 17 -9.258 -20.292 7.025 1.00 0.00 O flip ATOM 271 ND2 ASN A 17 -11.241 -21.221 7.420 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.482 -22.047 5.227 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.821 -24.560 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.838 -23.168 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.306 -22.468 7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.807 -22.036 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.688 -20.318 7.261 1.00 0.00 H new ATOM 278 N ALA A 18 -11.176 -23.176 4.855 1.00 0.00 N ATOM 279 CA ALA A 18 -12.538 -23.348 4.270 1.00 0.00 C ATOM 280 C ALA A 18 -12.535 -24.324 3.080 1.00 0.00 C ATOM 281 O ALA A 18 -13.580 -24.540 2.454 1.00 0.00 O ATOM 282 CB ALA A 18 -13.119 -21.989 3.838 1.00 0.00 C ATOM 0 H ALA A 18 -10.639 -22.424 4.424 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.170 -23.776 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.112 -22.136 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.188 -21.331 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.469 -21.537 3.089 1.00 0.00 H new ATOM 288 N ARG A 19 -11.340 -24.865 2.759 1.00 0.00 N ATOM 289 CA ARG A 19 -11.147 -25.942 1.760 1.00 0.00 C ATOM 290 C ARG A 19 -11.486 -25.498 0.312 1.00 0.00 C ATOM 291 O ARG A 19 -11.763 -26.343 -0.552 1.00 0.00 O ATOM 292 CB ARG A 19 -11.941 -27.227 2.149 1.00 0.00 C ATOM 293 CG ARG A 19 -11.588 -27.829 3.530 1.00 0.00 C ATOM 294 CD ARG A 19 -10.083 -28.112 3.708 1.00 0.00 C ATOM 295 NE ARG A 19 -9.839 -29.056 4.804 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.441 -28.743 6.040 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.109 -27.494 6.364 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.353 -29.701 6.949 1.00 0.00 N ATOM 0 H ARG A 19 -10.468 -24.562 3.193 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.083 -26.177 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.006 -26.995 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.769 -27.986 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.916 -27.144 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.143 -28.757 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.676 -28.516 2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.557 -27.178 3.907 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.987 -30.045 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.156 -26.755 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.808 -27.276 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.588 -30.662 6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.051 -29.478 7.897 1.00 0.00 H new ATOM 312 N ASP A 20 -11.411 -24.184 0.039 1.00 0.00 N ATOM 313 CA ASP A 20 -11.706 -23.639 -1.298 1.00 0.00 C ATOM 314 C ASP A 20 -10.442 -23.640 -2.178 1.00 0.00 C ATOM 315 O ASP A 20 -9.633 -22.717 -2.123 1.00 0.00 O ATOM 316 CB ASP A 20 -12.309 -22.208 -1.196 1.00 0.00 C ATOM 317 CG ASP A 20 -13.709 -22.190 -0.559 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.648 -22.777 -1.149 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.883 -21.597 0.531 1.00 0.00 O ATOM 0 H ASP A 20 -11.148 -23.479 0.727 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.449 -24.283 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.640 -21.579 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.364 -21.771 -2.193 1.00 0.00 H new ATOM 324 N ILE A 21 -10.290 -24.702 -2.988 1.00 0.00 N ATOM 325 CA ILE A 21 -9.195 -24.828 -3.975 1.00 0.00 C ATOM 326 C ILE A 21 -9.294 -23.744 -5.061 1.00 0.00 C ATOM 327 O ILE A 21 -8.269 -23.297 -5.579 1.00 0.00 O ATOM 328 CB ILE A 21 -9.170 -26.289 -4.605 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.469 -27.281 -3.628 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.523 -26.354 -6.017 1.00 0.00 C ATOM 331 CD1 ILE A 21 -6.979 -27.017 -3.438 1.00 0.00 C ATOM 0 H ILE A 21 -10.923 -25.502 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.250 -24.675 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.210 -26.583 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.963 -27.229 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.603 -28.297 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.543 -27.382 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.081 -25.716 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.490 -26.009 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.565 -27.749 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.470 -27.098 -4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.836 -26.014 -3.035 1.00 0.00 H new ATOM 343 N ASP A 22 -10.527 -23.308 -5.369 1.00 0.00 N ATOM 344 CA ASP A 22 -10.774 -22.311 -6.424 1.00 0.00 C ATOM 345 C ASP A 22 -10.086 -20.973 -6.095 1.00 0.00 C ATOM 346 O ASP A 22 -9.426 -20.394 -6.950 1.00 0.00 O ATOM 347 CB ASP A 22 -12.293 -22.107 -6.644 1.00 0.00 C ATOM 348 CG ASP A 22 -12.612 -21.186 -7.839 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.491 -21.644 -9.000 1.00 0.00 O ATOM 350 OD2 ASP A 22 -12.985 -20.008 -7.627 1.00 0.00 O ATOM 0 H ASP A 22 -11.372 -23.633 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.343 -22.691 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.764 -23.077 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.732 -21.685 -5.740 1.00 0.00 H new ATOM 355 N ALA A 23 -10.228 -20.515 -4.835 1.00 0.00 N ATOM 356 CA ALA A 23 -9.552 -19.293 -4.332 1.00 0.00 C ATOM 357 C ALA A 23 -8.057 -19.561 -4.084 1.00 0.00 C ATOM 358 O ALA A 23 -7.203 -18.700 -4.331 1.00 0.00 O ATOM 359 CB ALA A 23 -10.229 -18.794 -3.045 1.00 0.00 C ATOM 0 H ALA A 23 -10.811 -20.977 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.639 -18.517 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.720 -17.898 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.274 -18.561 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.173 -19.569 -2.281 1.00 0.00 H new ATOM 365 N PHE A 24 -7.758 -20.787 -3.616 1.00 0.00 N ATOM 366 CA PHE A 24 -6.380 -21.252 -3.345 1.00 0.00 C ATOM 367 C PHE A 24 -5.603 -21.494 -4.667 1.00 0.00 C ATOM 368 O PHE A 24 -4.445 -21.906 -4.636 1.00 0.00 O ATOM 369 CB PHE A 24 -6.391 -22.528 -2.444 1.00 0.00 C ATOM 370 CG PHE A 24 -5.130 -22.710 -1.588 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.982 -22.007 -0.390 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.093 -23.562 -1.974 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.847 -22.149 0.387 1.00 0.00 C ATOM 374 CE2 PHE A 24 -2.959 -23.701 -1.192 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.835 -22.994 -0.014 1.00 0.00 C ATOM 0 H PHE A 24 -8.469 -21.490 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.858 -20.467 -2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.259 -22.486 -1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.514 -23.405 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.768 -21.341 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.177 -24.120 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.753 -21.596 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.168 -24.366 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.948 -23.102 0.592 1.00 0.00 H new ATOM 385 N MET A 25 -6.285 -21.347 -5.827 1.00 0.00 N ATOM 386 CA MET A 25 -5.626 -21.383 -7.153 1.00 0.00 C ATOM 387 C MET A 25 -5.846 -20.071 -7.953 1.00 0.00 C ATOM 388 O MET A 25 -5.031 -19.737 -8.827 1.00 0.00 O ATOM 389 CB MET A 25 -6.121 -22.611 -7.969 1.00 0.00 C ATOM 390 CG MET A 25 -5.320 -22.918 -9.258 1.00 0.00 C ATOM 391 SD MET A 25 -3.917 -24.047 -9.016 1.00 0.00 S ATOM 392 CE MET A 25 -2.815 -23.214 -7.867 1.00 0.00 C ATOM 0 H MET A 25 -7.294 -21.202 -5.871 1.00 0.00 H new ATOM 0 HA MET A 25 -4.554 -21.478 -6.981 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.091 -23.490 -7.325 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.164 -22.449 -8.240 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.995 -23.349 -9.997 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.950 -21.981 -9.673 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.793 -23.556 -8.030 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.868 -22.137 -8.028 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.115 -23.443 -6.844 1.00 0.00 H new ATOM 402 N ALA A 26 -6.921 -19.319 -7.628 1.00 0.00 N ATOM 403 CA ALA A 26 -7.346 -18.108 -8.392 1.00 0.00 C ATOM 404 C ALA A 26 -6.265 -17.019 -8.431 1.00 0.00 C ATOM 405 O ALA A 26 -6.113 -16.315 -9.429 1.00 0.00 O ATOM 406 CB ALA A 26 -8.633 -17.514 -7.795 1.00 0.00 C ATOM 0 H ALA A 26 -7.523 -19.528 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.524 -18.441 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.926 -16.633 -8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.430 -18.256 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.456 -17.232 -6.757 1.00 0.00 H new ATOM 412 N TRP A 27 -5.530 -16.895 -7.328 1.00 0.00 N ATOM 413 CA TRP A 27 -4.523 -15.839 -7.142 1.00 0.00 C ATOM 414 C TRP A 27 -3.125 -16.250 -7.632 1.00 0.00 C ATOM 415 O TRP A 27 -2.213 -15.420 -7.661 1.00 0.00 O ATOM 416 CB TRP A 27 -4.456 -15.479 -5.656 1.00 0.00 C ATOM 417 CG TRP A 27 -5.696 -14.810 -5.110 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.753 -15.407 -4.490 1.00 0.00 C ATOM 419 CD2 TRP A 27 -5.977 -13.399 -5.116 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.664 -14.465 -4.102 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.217 -13.223 -4.485 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.293 -12.272 -5.601 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -7.787 -11.963 -4.306 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.861 -11.024 -5.427 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.102 -10.879 -4.788 1.00 0.00 C ATOM 0 H TRP A 27 -5.613 -17.525 -6.530 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.830 -14.983 -7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.269 -16.388 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.603 -14.820 -5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.856 -16.470 -4.329 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.536 -14.653 -3.607 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.341 -12.379 -6.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.736 -11.846 -3.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.342 -10.148 -5.788 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.526 -9.892 -4.674 1.00 0.00 H new ATOM 436 N TRP A 28 -2.961 -17.522 -8.002 1.00 0.00 N ATOM 437 CA TRP A 28 -1.655 -18.096 -8.364 1.00 0.00 C ATOM 438 C TRP A 28 -1.427 -17.972 -9.875 1.00 0.00 C ATOM 439 O TRP A 28 -2.375 -18.088 -10.661 1.00 0.00 O ATOM 440 CB TRP A 28 -1.596 -19.585 -7.933 1.00 0.00 C ATOM 441 CG TRP A 28 -1.787 -19.832 -6.443 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.843 -19.444 -5.660 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.910 -20.566 -5.581 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.659 -19.881 -4.375 1.00 0.00 N ATOM 445 CE2 TRP A 28 -1.488 -20.578 -4.304 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.306 -21.208 -5.768 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.891 -21.216 -3.225 1.00 0.00 C ATOM 448 CZ3 TRP A 28 0.898 -21.838 -4.694 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.298 -21.839 -3.432 1.00 0.00 C ATOM 0 H TRP A 28 -3.731 -18.189 -8.060 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.869 -17.547 -7.846 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.362 -20.136 -8.478 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.633 -19.997 -8.234 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.695 -18.877 -6.005 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.295 -19.712 -3.596 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.780 -21.214 -6.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.358 -21.217 -2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.844 -22.341 -4.831 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.786 -22.342 -2.610 1.00 0.00 H new ATOM 460 N ALA A 29 -0.169 -17.721 -10.266 1.00 0.00 N ATOM 461 CA ALA A 29 0.248 -17.701 -11.678 1.00 0.00 C ATOM 462 C ALA A 29 0.189 -19.124 -12.267 1.00 0.00 C ATOM 463 O ALA A 29 0.344 -20.106 -11.539 1.00 0.00 O ATOM 464 CB ALA A 29 1.669 -17.116 -11.809 1.00 0.00 C ATOM 0 H ALA A 29 0.589 -17.526 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.436 -17.065 -12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.964 -17.108 -12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.680 -16.098 -11.421 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.369 -17.729 -11.241 1.00 0.00 H new ATOM 470 N ASP A 30 -0.027 -19.224 -13.586 1.00 0.00 N ATOM 471 CA ASP A 30 -0.062 -20.528 -14.293 1.00 0.00 C ATOM 472 C ASP A 30 1.350 -21.172 -14.326 1.00 0.00 C ATOM 473 O ASP A 30 1.487 -22.389 -14.428 1.00 0.00 O ATOM 474 CB ASP A 30 -0.627 -20.341 -15.725 1.00 0.00 C ATOM 475 CG ASP A 30 -0.813 -21.664 -16.501 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.792 -22.394 -16.222 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.010 -21.972 -17.396 1.00 0.00 O ATOM 0 H ASP A 30 -0.181 -18.419 -14.193 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.721 -21.205 -13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.588 -19.830 -15.662 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.044 -19.692 -16.288 1.00 0.00 H new ATOM 482 N ASP A 31 2.385 -20.318 -14.214 1.00 0.00 N ATOM 483 CA ASP A 31 3.810 -20.720 -14.173 1.00 0.00 C ATOM 484 C ASP A 31 4.335 -20.739 -12.705 1.00 0.00 C ATOM 485 O ASP A 31 5.548 -20.715 -12.464 1.00 0.00 O ATOM 486 CB ASP A 31 4.617 -19.733 -15.080 1.00 0.00 C ATOM 487 CG ASP A 31 6.115 -20.082 -15.251 1.00 0.00 C ATOM 488 OD1 ASP A 31 6.429 -21.175 -15.771 1.00 0.00 O ATOM 489 OD2 ASP A 31 6.984 -19.259 -14.867 1.00 0.00 O ATOM 0 H ASP A 31 2.255 -19.308 -14.148 1.00 0.00 H new ATOM 0 HA ASP A 31 3.935 -21.734 -14.554 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.151 -19.704 -16.065 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.538 -18.730 -14.660 1.00 0.00 H new ATOM 494 N CYS A 32 3.406 -20.804 -11.719 1.00 0.00 N ATOM 495 CA CYS A 32 3.767 -20.763 -10.283 1.00 0.00 C ATOM 496 C CYS A 32 4.591 -21.995 -9.870 1.00 0.00 C ATOM 497 O CYS A 32 4.155 -23.132 -10.040 1.00 0.00 O ATOM 498 CB CYS A 32 2.525 -20.652 -9.378 1.00 0.00 C ATOM 499 SG CYS A 32 2.924 -20.472 -7.622 1.00 0.00 S ATOM 0 H CYS A 32 2.404 -20.885 -11.893 1.00 0.00 H new ATOM 0 HA CYS A 32 4.375 -19.869 -10.149 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.929 -19.797 -9.696 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.907 -21.540 -9.513 1.00 0.00 H new ATOM 0 HG CYS A 32 2.112 -21.201 -6.916 1.00 0.00 H new ATOM 505 N GLN A 33 5.790 -21.742 -9.338 1.00 0.00 N ATOM 506 CA GLN A 33 6.696 -22.784 -8.834 1.00 0.00 C ATOM 507 C GLN A 33 6.361 -23.082 -7.366 1.00 0.00 C ATOM 508 O GLN A 33 5.806 -22.224 -6.671 1.00 0.00 O ATOM 509 CB GLN A 33 8.164 -22.314 -8.988 1.00 0.00 C ATOM 510 CG GLN A 33 8.528 -21.861 -10.419 1.00 0.00 C ATOM 511 CD GLN A 33 8.424 -22.963 -11.477 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.369 -23.706 -11.712 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.283 -23.057 -12.144 1.00 0.00 N ATOM 0 H GLN A 33 6.165 -20.798 -9.243 1.00 0.00 H new ATOM 0 HA GLN A 33 6.569 -23.701 -9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.346 -21.489 -8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.828 -23.127 -8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.873 -21.038 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.546 -21.472 -10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.512 -22.425 -11.927 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.175 -23.761 -12.874 1.00 0.00 H new ATOM 522 N TYR A 34 6.684 -24.296 -6.906 1.00 0.00 N ATOM 523 CA TYR A 34 6.388 -24.732 -5.533 1.00 0.00 C ATOM 524 C TYR A 34 7.510 -25.644 -5.034 1.00 0.00 C ATOM 525 O TYR A 34 7.707 -26.727 -5.578 1.00 0.00 O ATOM 526 CB TYR A 34 5.014 -25.459 -5.482 1.00 0.00 C ATOM 527 CG TYR A 34 4.473 -25.746 -4.069 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.688 -24.804 -3.397 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.729 -26.959 -3.415 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.186 -25.054 -2.134 1.00 0.00 C ATOM 531 CE2 TYR A 34 4.228 -27.211 -2.146 1.00 0.00 C ATOM 532 CZ TYR A 34 3.455 -26.255 -1.513 1.00 0.00 C ATOM 533 OH TYR A 34 2.938 -26.502 -0.254 1.00 0.00 O ATOM 0 H TYR A 34 7.156 -25.002 -7.471 1.00 0.00 H new ATOM 0 HA TYR A 34 6.330 -23.861 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.282 -24.855 -6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.101 -26.404 -6.019 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.469 -23.861 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.327 -27.711 -3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.584 -24.310 -1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.441 -28.149 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 34 3.669 -26.543 0.397 1.00 0.00 H new ATOM 543 N TYR A 35 8.254 -25.180 -4.010 1.00 0.00 N ATOM 544 CA TYR A 35 9.329 -25.961 -3.363 1.00 0.00 C ATOM 545 C TYR A 35 8.901 -26.388 -1.950 1.00 0.00 C ATOM 546 O TYR A 35 8.063 -25.739 -1.307 1.00 0.00 O ATOM 547 CB TYR A 35 10.666 -25.162 -3.277 1.00 0.00 C ATOM 548 CG TYR A 35 11.307 -24.794 -4.629 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.717 -23.857 -5.480 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.512 -25.374 -5.043 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.296 -23.514 -6.684 1.00 0.00 C ATOM 552 CE2 TYR A 35 13.095 -25.031 -6.247 1.00 0.00 C ATOM 553 CZ TYR A 35 12.484 -24.101 -7.065 1.00 0.00 C ATOM 554 OH TYR A 35 13.061 -23.763 -8.270 1.00 0.00 O ATOM 0 H TYR A 35 8.127 -24.252 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 35 9.501 -26.841 -3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.485 -24.244 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.383 -25.748 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.787 -23.391 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.995 -26.103 -4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.820 -22.788 -7.326 1.00 0.00 H new ATOM 0 HE2 TYR A 35 14.026 -25.489 -6.548 1.00 0.00 H new ATOM 0 HH TYR A 35 13.894 -24.266 -8.386 1.00 0.00 H new ATOM 564 N ALA A 36 9.497 -27.497 -1.497 1.00 0.00 N ATOM 565 CA ALA A 36 9.354 -28.022 -0.131 1.00 0.00 C ATOM 566 C ALA A 36 10.701 -27.904 0.595 1.00 0.00 C ATOM 567 O ALA A 36 11.750 -27.954 -0.058 1.00 0.00 O ATOM 568 CB ALA A 36 8.882 -29.482 -0.184 1.00 0.00 C ATOM 0 H ALA A 36 10.106 -28.069 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 36 8.609 -27.445 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.777 -29.868 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.920 -29.535 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.613 -30.081 -0.726 1.00 0.00 H new ATOM 574 N PHE A 37 10.658 -27.757 1.935 1.00 0.00 N ATOM 575 CA PHE A 37 11.862 -27.581 2.781 1.00 0.00 C ATOM 576 C PHE A 37 12.859 -28.767 2.613 1.00 0.00 C ATOM 577 O PHE A 37 12.439 -29.922 2.746 1.00 0.00 O ATOM 578 CB PHE A 37 11.437 -27.439 4.268 1.00 0.00 C ATOM 579 CG PHE A 37 12.602 -27.217 5.236 1.00 0.00 C ATOM 580 CD1 PHE A 37 13.267 -25.992 5.277 1.00 0.00 C ATOM 581 CD2 PHE A 37 13.037 -28.229 6.095 1.00 0.00 C ATOM 582 CE1 PHE A 37 14.327 -25.785 6.137 1.00 0.00 C ATOM 583 CE2 PHE A 37 14.097 -28.018 6.956 1.00 0.00 C ATOM 584 CZ PHE A 37 14.740 -26.797 6.978 1.00 0.00 C ATOM 0 H PHE A 37 9.786 -27.757 2.465 1.00 0.00 H new ATOM 0 HA PHE A 37 12.375 -26.674 2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.741 -26.605 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.897 -28.337 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.948 -25.192 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.539 -29.187 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 37 14.833 -24.831 6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 37 14.423 -28.810 7.613 1.00 0.00 H new ATOM 0 HZ PHE A 37 15.567 -26.634 7.654 1.00 0.00 H new ATOM 594 N PRO A 38 14.198 -28.527 2.334 1.00 0.00 N ATOM 595 CA PRO A 38 14.822 -27.175 2.173 1.00 0.00 C ATOM 596 C PRO A 38 14.484 -26.477 0.823 1.00 0.00 C ATOM 597 O PRO A 38 14.040 -25.320 0.812 1.00 0.00 O ATOM 598 CB PRO A 38 16.341 -27.477 2.307 1.00 0.00 C ATOM 599 CG PRO A 38 16.491 -28.884 1.804 1.00 0.00 C ATOM 600 CD PRO A 38 15.220 -29.606 2.215 1.00 0.00 C ATOM 0 HA PRO A 38 14.446 -26.465 2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.938 -26.780 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.674 -27.388 3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.618 -28.901 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.370 -29.362 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.928 -30.349 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.351 -30.134 3.160 1.00 0.00 H new ATOM 608 N ALA A 39 14.671 -27.198 -0.301 1.00 0.00 N ATOM 609 CA ALA A 39 14.400 -26.692 -1.658 1.00 0.00 C ATOM 610 C ALA A 39 14.250 -27.890 -2.612 1.00 0.00 C ATOM 611 O ALA A 39 15.243 -28.419 -3.124 1.00 0.00 O ATOM 612 CB ALA A 39 15.509 -25.724 -2.135 1.00 0.00 C ATOM 0 H ALA A 39 15.018 -28.157 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 39 13.473 -26.119 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.276 -25.371 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.567 -24.874 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.466 -26.245 -2.146 1.00 0.00 H new ATOM 618 N THR A 40 13.000 -28.358 -2.778 1.00 0.00 N ATOM 619 CA THR A 40 12.650 -29.453 -3.703 1.00 0.00 C ATOM 620 C THR A 40 11.370 -29.073 -4.451 1.00 0.00 C ATOM 621 O THR A 40 10.289 -29.045 -3.854 1.00 0.00 O ATOM 622 CB THR A 40 12.448 -30.807 -2.938 1.00 0.00 C ATOM 623 OG1 THR A 40 13.634 -31.109 -2.186 1.00 0.00 O ATOM 624 CG2 THR A 40 12.125 -31.982 -3.885 1.00 0.00 C ATOM 0 H THR A 40 12.198 -27.985 -2.271 1.00 0.00 H new ATOM 0 HA THR A 40 13.469 -29.596 -4.408 1.00 0.00 H new ATOM 0 HB THR A 40 11.592 -30.683 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.510 -31.954 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.995 -32.894 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.207 -31.767 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.945 -32.116 -4.591 1.00 0.00 H new ATOM 632 N LEU A 41 11.506 -28.751 -5.745 1.00 0.00 N ATOM 633 CA LEU A 41 10.389 -28.304 -6.585 1.00 0.00 C ATOM 634 C LEU A 41 9.407 -29.477 -6.814 1.00 0.00 C ATOM 635 O LEU A 41 9.695 -30.403 -7.574 1.00 0.00 O ATOM 636 CB LEU A 41 10.949 -27.697 -7.915 1.00 0.00 C ATOM 637 CG LEU A 41 9.965 -26.866 -8.819 1.00 0.00 C ATOM 638 CD1 LEU A 41 10.738 -25.931 -9.773 1.00 0.00 C ATOM 639 CD2 LEU A 41 9.025 -27.772 -9.633 1.00 0.00 C ATOM 0 H LEU A 41 12.397 -28.794 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 41 9.824 -27.515 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.792 -27.054 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.343 -28.516 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 41 9.358 -26.263 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.031 -25.370 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.344 -25.237 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.385 -26.524 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.364 -27.156 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.615 -28.421 -10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.429 -28.382 -8.954 1.00 0.00 H new ATOM 651 N LEU A 42 8.267 -29.433 -6.100 1.00 0.00 N ATOM 652 CA LEU A 42 7.184 -30.421 -6.220 1.00 0.00 C ATOM 653 C LEU A 42 6.299 -30.114 -7.445 1.00 0.00 C ATOM 654 O LEU A 42 5.825 -31.032 -8.130 1.00 0.00 O ATOM 655 CB LEU A 42 6.309 -30.425 -4.931 1.00 0.00 C ATOM 656 CG LEU A 42 7.066 -30.583 -3.571 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.073 -30.626 -2.390 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.997 -31.820 -3.569 1.00 0.00 C ATOM 0 H LEU A 42 8.072 -28.701 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 42 7.636 -31.404 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.744 -29.494 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.584 -31.235 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 42 7.701 -29.706 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.623 -30.736 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.497 -29.701 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.396 -31.471 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.503 -31.893 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.406 -32.720 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.738 -31.719 -4.362 1.00 0.00 H new ATOM 670 N ALA A 43 6.089 -28.810 -7.714 1.00 0.00 N ATOM 671 CA ALA A 43 5.130 -28.340 -8.734 1.00 0.00 C ATOM 672 C ALA A 43 5.691 -27.142 -9.525 1.00 0.00 C ATOM 673 O ALA A 43 6.031 -26.116 -8.937 1.00 0.00 O ATOM 674 CB ALA A 43 3.822 -27.973 -8.040 1.00 0.00 C ATOM 0 H ALA A 43 6.577 -28.055 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 43 4.952 -29.138 -9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.103 -27.624 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.422 -28.850 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.006 -27.183 -7.312 1.00 0.00 H new ATOM 680 N GLY A 44 5.800 -27.298 -10.861 1.00 0.00 N ATOM 681 CA GLY A 44 6.400 -26.285 -11.751 1.00 0.00 C ATOM 682 C GLY A 44 5.373 -25.562 -12.607 1.00 0.00 C ATOM 683 O GLY A 44 5.649 -25.231 -13.768 1.00 0.00 O ATOM 0 H GLY A 44 5.474 -28.130 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.941 -25.555 -11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.131 -26.767 -12.400 1.00 0.00 H new ATOM 687 N ASN A 45 4.228 -25.259 -11.980 1.00 0.00 N ATOM 688 CA ASN A 45 3.004 -24.703 -12.615 1.00 0.00 C ATOM 689 C ASN A 45 1.825 -24.840 -11.634 1.00 0.00 C ATOM 690 O ASN A 45 1.899 -25.620 -10.672 1.00 0.00 O ATOM 691 CB ASN A 45 2.625 -25.354 -13.987 1.00 0.00 C ATOM 692 CG ASN A 45 2.331 -26.853 -13.915 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.207 -27.267 -13.627 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.324 -27.677 -14.219 1.00 0.00 N ATOM 0 H ASN A 45 4.115 -25.397 -10.976 1.00 0.00 H new ATOM 0 HA ASN A 45 3.223 -23.659 -12.838 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.750 -24.843 -14.388 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.441 -25.189 -14.691 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.168 -28.685 -14.219 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.244 -27.303 -14.453 1.00 0.00 H new ATOM 701 N ALA A 46 0.730 -24.110 -11.914 1.00 0.00 N ATOM 702 CA ALA A 46 -0.447 -24.016 -11.021 1.00 0.00 C ATOM 703 C ALA A 46 -1.180 -25.366 -10.863 1.00 0.00 C ATOM 704 O ALA A 46 -1.623 -25.702 -9.767 1.00 0.00 O ATOM 705 CB ALA A 46 -1.408 -22.929 -11.536 1.00 0.00 C ATOM 0 H ALA A 46 0.633 -23.564 -12.770 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.087 -23.741 -10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.272 -22.864 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.894 -21.968 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.740 -23.184 -12.543 1.00 0.00 H new ATOM 711 N ALA A 47 -1.266 -26.144 -11.957 1.00 0.00 N ATOM 712 CA ALA A 47 -2.052 -27.404 -12.002 1.00 0.00 C ATOM 713 C ALA A 47 -1.540 -28.449 -10.995 1.00 0.00 C ATOM 714 O ALA A 47 -2.333 -29.102 -10.306 1.00 0.00 O ATOM 715 CB ALA A 47 -2.022 -27.991 -13.417 1.00 0.00 C ATOM 0 H ALA A 47 -0.797 -25.924 -12.835 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.076 -27.155 -11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.601 -28.914 -13.440 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.453 -27.275 -14.117 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.991 -28.202 -13.702 1.00 0.00 H new ATOM 721 N GLU A 48 -0.205 -28.589 -10.918 1.00 0.00 N ATOM 722 CA GLU A 48 0.450 -29.580 -10.038 1.00 0.00 C ATOM 723 C GLU A 48 0.354 -29.144 -8.556 1.00 0.00 C ATOM 724 O GLU A 48 0.320 -29.989 -7.647 1.00 0.00 O ATOM 725 CB GLU A 48 1.922 -29.790 -10.460 1.00 0.00 C ATOM 726 CG GLU A 48 2.123 -30.124 -11.948 1.00 0.00 C ATOM 727 CD GLU A 48 3.583 -30.486 -12.275 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.434 -29.574 -12.341 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.893 -31.681 -12.449 1.00 0.00 O ATOM 0 H GLU A 48 0.449 -28.024 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.071 -30.532 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.485 -28.887 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.346 -30.595 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.475 -30.957 -12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.819 -29.270 -12.554 1.00 0.00 H new ATOM 736 N ILE A 49 0.320 -27.817 -8.331 1.00 0.00 N ATOM 737 CA ILE A 49 0.092 -27.220 -6.996 1.00 0.00 C ATOM 738 C ILE A 49 -1.340 -27.531 -6.521 1.00 0.00 C ATOM 739 O ILE A 49 -1.556 -27.942 -5.370 1.00 0.00 O ATOM 740 CB ILE A 49 0.295 -25.657 -7.034 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.756 -25.304 -7.433 1.00 0.00 C ATOM 742 CG2 ILE A 49 -0.088 -24.997 -5.693 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.049 -23.831 -7.613 1.00 0.00 C ATOM 0 H ILE A 49 0.450 -27.125 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 49 0.816 -27.652 -6.305 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.376 -25.255 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.427 -25.699 -6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.994 -25.819 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.066 -23.920 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.136 -25.201 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.535 -25.404 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.095 -23.699 -7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.412 -23.427 -8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.852 -23.304 -6.679 1.00 0.00 H new ATOM 755 N ARG A 50 -2.289 -27.326 -7.450 1.00 0.00 N ATOM 756 CA ARG A 50 -3.732 -27.471 -7.217 1.00 0.00 C ATOM 757 C ARG A 50 -4.060 -28.867 -6.695 1.00 0.00 C ATOM 758 O ARG A 50 -4.585 -29.010 -5.597 1.00 0.00 O ATOM 759 CB ARG A 50 -4.476 -27.233 -8.558 1.00 0.00 C ATOM 760 CG ARG A 50 -6.006 -27.412 -8.513 1.00 0.00 C ATOM 761 CD ARG A 50 -6.642 -27.291 -9.905 1.00 0.00 C ATOM 762 NE ARG A 50 -8.105 -27.514 -9.877 1.00 0.00 N ATOM 763 CZ ARG A 50 -9.000 -26.884 -10.658 1.00 0.00 C ATOM 764 NH1 ARG A 50 -8.621 -25.926 -11.500 1.00 0.00 N ATOM 765 NH2 ARG A 50 -10.278 -27.224 -10.585 1.00 0.00 N ATOM 0 H ARG A 50 -2.066 -27.048 -8.406 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.048 -26.743 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.257 -26.221 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.070 -27.916 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.244 -28.388 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.439 -26.663 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.436 -26.301 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.180 -28.014 -10.577 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.463 -28.200 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.638 -25.659 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.313 -25.458 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.575 -27.957 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.966 -26.753 -11.173 1.00 0.00 H new ATOM 779 N VAL A 51 -3.650 -29.875 -7.479 1.00 0.00 N ATOM 780 CA VAL A 51 -3.997 -31.287 -7.240 1.00 0.00 C ATOM 781 C VAL A 51 -3.432 -31.834 -5.913 1.00 0.00 C ATOM 782 O VAL A 51 -4.106 -32.606 -5.226 1.00 0.00 O ATOM 783 CB VAL A 51 -3.558 -32.197 -8.446 1.00 0.00 C ATOM 784 CG1 VAL A 51 -4.351 -31.831 -9.731 1.00 0.00 C ATOM 785 CG2 VAL A 51 -2.035 -32.109 -8.704 1.00 0.00 C ATOM 0 H VAL A 51 -3.065 -29.734 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.083 -31.318 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.789 -33.228 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.031 -32.473 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.417 -31.973 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.162 -30.789 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.771 -32.751 -9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.764 -31.079 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.496 -32.435 -7.815 1.00 0.00 H new ATOM 795 N ARG A 52 -2.207 -31.406 -5.551 1.00 0.00 N ATOM 796 CA ARG A 52 -1.551 -31.845 -4.305 1.00 0.00 C ATOM 797 C ARG A 52 -2.239 -31.217 -3.074 1.00 0.00 C ATOM 798 O ARG A 52 -2.334 -31.842 -2.006 1.00 0.00 O ATOM 799 CB ARG A 52 -0.040 -31.500 -4.335 1.00 0.00 C ATOM 800 CG ARG A 52 0.751 -32.053 -3.124 1.00 0.00 C ATOM 801 CD ARG A 52 2.283 -31.957 -3.277 1.00 0.00 C ATOM 802 NE ARG A 52 2.986 -32.671 -2.188 1.00 0.00 N ATOM 803 CZ ARG A 52 3.097 -34.013 -2.082 1.00 0.00 C ATOM 804 NH1 ARG A 52 2.591 -34.830 -3.010 1.00 0.00 N ATOM 805 NH2 ARG A 52 3.724 -34.533 -1.039 1.00 0.00 N ATOM 0 H ARG A 52 -1.651 -30.755 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.649 -32.928 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.395 -31.895 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.075 -30.417 -4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.451 -31.509 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.476 -33.097 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.580 -32.376 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.584 -30.909 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 52 3.421 -32.105 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.108 -34.444 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.688 -35.840 -2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.118 -33.922 -0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.813 -35.545 -0.950 1.00 0.00 H new ATOM 819 N HIS A 53 -2.719 -29.970 -3.237 1.00 0.00 N ATOM 820 CA HIS A 53 -3.482 -29.267 -2.192 1.00 0.00 C ATOM 821 C HIS A 53 -4.923 -29.790 -2.110 1.00 0.00 C ATOM 822 O HIS A 53 -5.521 -29.705 -1.055 1.00 0.00 O ATOM 823 CB HIS A 53 -3.442 -27.729 -2.384 1.00 0.00 C ATOM 824 CG HIS A 53 -2.114 -27.111 -2.018 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.328 -26.422 -2.911 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.451 -27.070 -0.831 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.243 -25.984 -2.299 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.291 -26.362 -1.039 1.00 0.00 N ATOM 0 H HIS A 53 -2.590 -29.426 -4.090 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.999 -29.480 -1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.669 -27.495 -3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.225 -27.274 -1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.775 -27.511 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.551 -25.412 -2.756 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.417 -26.162 -0.332 1.00 0.00 H new ATOM 837 N ILE A 54 -5.477 -30.323 -3.224 1.00 0.00 N ATOM 838 CA ILE A 54 -6.799 -30.993 -3.215 1.00 0.00 C ATOM 839 C ILE A 54 -6.757 -32.189 -2.244 1.00 0.00 C ATOM 840 O ILE A 54 -7.625 -32.322 -1.377 1.00 0.00 O ATOM 841 CB ILE A 54 -7.225 -31.450 -4.670 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.524 -30.206 -5.564 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.434 -32.417 -4.659 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.788 -30.501 -7.025 1.00 0.00 C ATOM 0 H ILE A 54 -5.029 -30.302 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.552 -30.283 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.384 -32.001 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.390 -29.686 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.679 -29.521 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.684 -32.699 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.180 -33.310 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.290 -31.924 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.984 -29.569 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.917 -30.990 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.654 -31.157 -7.113 1.00 0.00 H new ATOM 856 N GLU A 55 -5.693 -33.007 -2.377 1.00 0.00 N ATOM 857 CA GLU A 55 -5.415 -34.160 -1.483 1.00 0.00 C ATOM 858 C GLU A 55 -5.264 -33.703 -0.011 1.00 0.00 C ATOM 859 O GLU A 55 -5.790 -34.337 0.910 1.00 0.00 O ATOM 860 CB GLU A 55 -4.119 -34.881 -1.945 1.00 0.00 C ATOM 861 CG GLU A 55 -4.147 -35.378 -3.400 1.00 0.00 C ATOM 862 CD GLU A 55 -2.815 -36.014 -3.836 1.00 0.00 C ATOM 863 OE1 GLU A 55 -1.919 -35.288 -4.318 1.00 0.00 O ATOM 864 OE2 GLU A 55 -2.652 -37.247 -3.686 1.00 0.00 O ATOM 0 H GLU A 55 -4.995 -32.889 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.259 -34.848 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.277 -34.200 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.938 -35.732 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.948 -36.108 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.380 -34.543 -4.061 1.00 0.00 H new ATOM 871 N ARG A 56 -4.553 -32.578 0.173 1.00 0.00 N ATOM 872 CA ARG A 56 -4.313 -31.967 1.498 1.00 0.00 C ATOM 873 C ARG A 56 -5.632 -31.439 2.116 1.00 0.00 C ATOM 874 O ARG A 56 -5.813 -31.472 3.330 1.00 0.00 O ATOM 875 CB ARG A 56 -3.260 -30.830 1.352 1.00 0.00 C ATOM 876 CG ARG A 56 -2.827 -30.127 2.662 1.00 0.00 C ATOM 877 CD ARG A 56 -2.309 -31.113 3.733 1.00 0.00 C ATOM 878 NE ARG A 56 -1.229 -31.989 3.228 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.759 -33.081 3.853 1.00 0.00 C ATOM 880 NH1 ARG A 56 -1.212 -33.431 5.051 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.165 -33.825 3.260 1.00 0.00 N ATOM 0 H ARG A 56 -4.125 -32.062 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.925 -32.725 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.372 -31.245 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.662 -30.076 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.046 -29.400 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.673 -29.571 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.943 -30.551 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.137 -31.729 4.084 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.807 -31.744 2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.928 -32.868 5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.844 -34.263 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.513 -33.566 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.528 -34.656 3.727 1.00 0.00 H new ATOM 895 N PHE A 57 -6.546 -30.976 1.252 1.00 0.00 N ATOM 896 CA PHE A 57 -7.850 -30.424 1.671 1.00 0.00 C ATOM 897 C PHE A 57 -8.882 -31.552 1.937 1.00 0.00 C ATOM 898 O PHE A 57 -9.940 -31.295 2.520 1.00 0.00 O ATOM 899 CB PHE A 57 -8.373 -29.404 0.606 1.00 0.00 C ATOM 900 CG PHE A 57 -7.673 -28.026 0.578 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.412 -27.816 1.147 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.289 -26.939 -0.036 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.804 -26.576 1.096 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.680 -25.699 -0.082 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.442 -25.517 0.481 1.00 0.00 C ATOM 0 H PHE A 57 -6.406 -30.972 0.242 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.712 -29.891 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.275 -29.858 -0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.437 -29.244 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.906 -28.636 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.263 -27.067 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.829 -26.435 1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.180 -24.871 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.968 -24.548 0.443 1.00 0.00 H new ATOM 915 N LYS A 58 -8.571 -32.795 1.501 1.00 0.00 N ATOM 916 CA LYS A 58 -9.367 -33.994 1.861 1.00 0.00 C ATOM 917 C LYS A 58 -9.122 -34.382 3.330 1.00 0.00 C ATOM 918 O LYS A 58 -10.004 -34.959 3.981 1.00 0.00 O ATOM 919 CB LYS A 58 -9.040 -35.194 0.925 1.00 0.00 C ATOM 920 CG LYS A 58 -9.261 -34.904 -0.573 1.00 0.00 C ATOM 921 CD LYS A 58 -10.684 -34.377 -0.874 1.00 0.00 C ATOM 922 CE LYS A 58 -10.812 -33.734 -2.256 1.00 0.00 C ATOM 923 NZ LYS A 58 -12.173 -33.186 -2.484 1.00 0.00 N ATOM 0 H LYS A 58 -7.773 -32.995 0.898 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.420 -33.744 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.001 -35.487 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.657 -36.045 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.528 -34.171 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.087 -35.815 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.393 -35.202 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.962 -33.647 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.077 -32.935 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.584 -34.474 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.221 -32.759 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.872 -33.953 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.381 -32.462 -1.767 1.00 0.00 H new ATOM 937 N GLU A 59 -7.912 -34.056 3.828 1.00 0.00 N ATOM 938 CA GLU A 59 -7.513 -34.272 5.229 1.00 0.00 C ATOM 939 C GLU A 59 -8.367 -33.380 6.167 1.00 0.00 C ATOM 940 O GLU A 59 -8.292 -32.150 6.072 1.00 0.00 O ATOM 941 CB GLU A 59 -6.002 -33.958 5.375 1.00 0.00 C ATOM 942 CG GLU A 59 -5.435 -34.056 6.803 1.00 0.00 C ATOM 943 CD GLU A 59 -3.919 -33.790 6.849 1.00 0.00 C ATOM 944 OE1 GLU A 59 -3.499 -32.608 6.908 1.00 0.00 O ATOM 945 OE2 GLU A 59 -3.136 -34.764 6.802 1.00 0.00 O ATOM 0 H GLU A 59 -7.178 -33.631 3.261 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.685 -35.310 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.444 -34.641 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.821 -32.951 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.947 -33.339 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.640 -35.048 7.206 1.00 0.00 H new ATOM 952 N PRO A 60 -9.220 -33.981 7.068 1.00 0.00 N ATOM 953 CA PRO A 60 -10.100 -33.203 7.978 1.00 0.00 C ATOM 954 C PRO A 60 -9.321 -32.526 9.124 1.00 0.00 C ATOM 955 O PRO A 60 -9.767 -31.524 9.691 1.00 0.00 O ATOM 956 CB PRO A 60 -11.089 -34.273 8.506 1.00 0.00 C ATOM 957 CG PRO A 60 -10.315 -35.558 8.465 1.00 0.00 C ATOM 958 CD PRO A 60 -9.395 -35.451 7.265 1.00 0.00 C ATOM 0 HA PRO A 60 -10.592 -32.372 7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.420 -34.042 9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.982 -34.328 7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.745 -35.700 9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.983 -36.414 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.441 -35.945 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.832 -35.922 6.384 1.00 0.00 H new ATOM 966 N ASP A 61 -8.137 -33.078 9.429 1.00 0.00 N ATOM 967 CA ASP A 61 -7.272 -32.608 10.525 1.00 0.00 C ATOM 968 C ASP A 61 -6.453 -31.383 10.108 1.00 0.00 C ATOM 969 O ASP A 61 -5.853 -30.735 10.965 1.00 0.00 O ATOM 970 CB ASP A 61 -6.344 -33.755 10.988 1.00 0.00 C ATOM 971 CG ASP A 61 -7.142 -34.954 11.520 1.00 0.00 C ATOM 972 OD1 ASP A 61 -7.646 -35.758 10.703 1.00 0.00 O ATOM 973 OD2 ASP A 61 -7.315 -35.075 12.754 1.00 0.00 O ATOM 0 H ASP A 61 -7.748 -33.871 8.918 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.908 -32.305 11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.719 -34.075 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.675 -33.389 11.767 1.00 0.00 H new ATOM 978 N LEU A 62 -6.435 -31.076 8.791 1.00 0.00 N ATOM 979 CA LEU A 62 -5.777 -29.873 8.263 1.00 0.00 C ATOM 980 C LEU A 62 -6.412 -28.612 8.880 1.00 0.00 C ATOM 981 O LEU A 62 -7.607 -28.359 8.695 1.00 0.00 O ATOM 982 CB LEU A 62 -5.895 -29.809 6.717 1.00 0.00 C ATOM 983 CG LEU A 62 -5.238 -28.555 6.054 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.704 -28.598 6.191 1.00 0.00 C ATOM 985 CD2 LEU A 62 -5.679 -28.385 4.584 1.00 0.00 C ATOM 0 H LEU A 62 -6.874 -31.654 8.075 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.721 -29.919 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.439 -30.705 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.951 -29.832 6.447 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.592 -27.675 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.272 -27.714 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.433 -28.617 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.320 -29.493 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.200 -27.502 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.387 -29.266 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.762 -28.267 4.540 1.00 0.00 H new ATOM 997 N TYR A 63 -5.612 -27.845 9.628 1.00 0.00 N ATOM 998 CA TYR A 63 -6.055 -26.580 10.228 1.00 0.00 C ATOM 999 C TYR A 63 -4.857 -25.632 10.341 1.00 0.00 C ATOM 1000 O TYR A 63 -3.904 -25.930 11.063 1.00 0.00 O ATOM 1001 CB TYR A 63 -6.685 -26.848 11.626 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.285 -25.603 12.297 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.544 -25.131 11.923 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.596 -24.897 13.292 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.094 -24.010 12.510 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.145 -23.773 13.880 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.393 -23.334 13.485 1.00 0.00 C ATOM 1008 OH TYR A 63 -8.945 -22.211 14.064 1.00 0.00 O ATOM 0 H TYR A 63 -4.642 -28.082 9.835 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.814 -26.116 9.598 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.465 -27.602 11.522 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.922 -27.268 12.281 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.099 -25.654 11.158 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.620 -25.237 13.605 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.071 -23.663 12.206 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.600 -23.240 14.645 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.327 -21.851 14.734 1.00 0.00 H new ATOM 1018 N GLY A 64 -4.920 -24.492 9.637 1.00 0.00 N ATOM 1019 CA GLY A 64 -3.869 -23.478 9.699 1.00 0.00 C ATOM 1020 C GLY A 64 -4.210 -22.396 10.699 1.00 0.00 C ATOM 1021 O GLY A 64 -5.062 -21.539 10.428 1.00 0.00 O ATOM 0 H GLY A 64 -5.694 -24.253 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.924 -23.946 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.729 -23.035 8.713 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.573 -22.453 11.876 1.00 0.00 N ATOM 1026 CA GLU A 65 -3.719 -21.429 12.912 1.00 0.00 C ATOM 1027 C GLU A 65 -2.589 -20.404 12.770 1.00 0.00 C ATOM 1028 O GLU A 65 -1.452 -20.670 13.162 1.00 0.00 O ATOM 1029 CB GLU A 65 -3.702 -22.089 14.319 1.00 0.00 C ATOM 1030 CG GLU A 65 -3.751 -21.091 15.495 1.00 0.00 C ATOM 1031 CD GLU A 65 -3.846 -21.777 16.864 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -2.827 -22.322 17.338 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -4.949 -21.782 17.469 1.00 0.00 O ATOM 0 H GLU A 65 -2.942 -23.212 12.134 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.674 -20.917 12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.552 -22.767 14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.801 -22.695 14.411 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.859 -20.465 15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.608 -20.429 15.367 1.00 0.00 H new ATOM 1040 N LEU A 66 -2.906 -19.242 12.188 1.00 0.00 N ATOM 1041 CA LEU A 66 -1.938 -18.152 12.003 1.00 0.00 C ATOM 1042 C LEU A 66 -1.851 -17.342 13.307 1.00 0.00 C ATOM 1043 O LEU A 66 -2.873 -16.878 13.828 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.353 -17.273 10.782 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.274 -16.270 10.216 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.632 -15.853 8.774 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.104 -15.006 11.094 1.00 0.00 C ATOM 0 H LEU A 66 -3.838 -19.030 11.832 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.947 -18.550 11.784 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.653 -17.939 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.234 -16.697 11.064 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.323 -16.802 10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.878 -15.161 8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.664 -16.737 8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.607 -15.366 8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.349 -14.355 10.653 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.053 -14.473 11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.790 -15.299 12.096 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.623 -17.194 13.834 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.339 -16.430 15.068 1.00 0.00 C ATOM 1061 C LEU A 67 0.568 -15.212 14.772 1.00 0.00 C ATOM 1062 O LEU A 67 0.479 -14.181 15.447 1.00 0.00 O ATOM 1063 CB LEU A 67 0.214 -17.348 16.233 1.00 0.00 C ATOM 1064 CG LEU A 67 1.402 -18.367 15.996 1.00 0.00 C ATOM 1065 CD1 LEU A 67 1.076 -19.477 14.986 1.00 0.00 C ATOM 1066 CD2 LEU A 67 2.729 -17.671 15.654 1.00 0.00 C ATOM 0 H LEU A 67 0.211 -17.604 13.413 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.286 -16.036 15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.524 -16.683 17.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.630 -17.928 16.606 1.00 0.00 H new ATOM 0 HG LEU A 67 1.533 -18.860 16.959 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.938 -20.135 14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.222 -20.054 15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.836 -19.031 14.021 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.505 -18.421 15.503 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.608 -17.085 14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.016 -17.012 16.474 1.00 0.00 H new ATOM 1078 N THR A 68 1.429 -15.335 13.747 1.00 0.00 N ATOM 1079 CA THR A 68 2.365 -14.263 13.334 1.00 0.00 C ATOM 1080 C THR A 68 2.538 -14.276 11.806 1.00 0.00 C ATOM 1081 O THR A 68 2.707 -15.343 11.210 1.00 0.00 O ATOM 1082 CB THR A 68 3.769 -14.429 14.030 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.617 -14.381 15.460 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.791 -13.356 13.590 1.00 0.00 C ATOM 0 H THR A 68 1.499 -16.179 13.178 1.00 0.00 H new ATOM 0 HA THR A 68 1.941 -13.308 13.646 1.00 0.00 H new ATOM 0 HB THR A 68 4.159 -15.398 13.719 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.493 -14.486 15.886 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.738 -13.523 14.103 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.946 -13.421 12.513 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.411 -12.366 13.843 1.00 0.00 H new ATOM 1092 N ARG A 69 2.461 -13.087 11.178 1.00 0.00 N ATOM 1093 CA ARG A 69 2.795 -12.910 9.750 1.00 0.00 C ATOM 1094 C ARG A 69 3.500 -11.553 9.525 1.00 0.00 C ATOM 1095 O ARG A 69 3.124 -10.539 10.129 1.00 0.00 O ATOM 1096 CB ARG A 69 1.532 -13.044 8.852 1.00 0.00 C ATOM 1097 CG ARG A 69 0.471 -11.940 9.037 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.788 -12.168 8.175 1.00 0.00 C ATOM 1099 NE ARG A 69 -0.480 -12.330 6.740 1.00 0.00 N ATOM 1100 CZ ARG A 69 -0.477 -11.357 5.816 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -0.735 -10.095 6.140 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -0.199 -11.666 4.558 1.00 0.00 N ATOM 0 H ARG A 69 2.168 -12.227 11.642 1.00 0.00 H new ATOM 0 HA ARG A 69 3.483 -13.705 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.847 -13.051 7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.066 -14.009 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.183 -11.892 10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.910 -10.975 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.311 -13.056 8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.467 -11.325 8.303 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.248 -13.271 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.941 -9.849 7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.727 -9.372 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.009 -12.632 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.193 -10.938 3.844 1.00 0.00 H new ATOM 1116 N VAL A 70 4.549 -11.566 8.677 1.00 0.00 N ATOM 1117 CA VAL A 70 5.315 -10.362 8.268 1.00 0.00 C ATOM 1118 C VAL A 70 5.399 -10.327 6.731 1.00 0.00 C ATOM 1119 O VAL A 70 5.236 -11.359 6.092 1.00 0.00 O ATOM 1120 CB VAL A 70 6.778 -10.327 8.888 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.741 -10.477 10.422 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.722 -11.385 8.261 1.00 0.00 C ATOM 0 H VAL A 70 4.896 -12.424 8.249 1.00 0.00 H new ATOM 0 HA VAL A 70 4.790 -9.486 8.648 1.00 0.00 H new ATOM 0 HB VAL A 70 7.188 -9.347 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.757 -10.449 10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.163 -9.660 10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.277 -11.428 10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.706 -11.314 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.314 -12.382 8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.810 -11.204 7.190 1.00 0.00 H new ATOM 1132 N ILE A 71 5.642 -9.148 6.141 1.00 0.00 N ATOM 1133 CA ILE A 71 5.852 -9.017 4.678 1.00 0.00 C ATOM 1134 C ILE A 71 7.138 -8.209 4.397 1.00 0.00 C ATOM 1135 O ILE A 71 7.464 -7.259 5.118 1.00 0.00 O ATOM 1136 CB ILE A 71 4.609 -8.377 3.943 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.879 -8.251 2.401 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.216 -7.021 4.574 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.731 -7.714 1.579 1.00 0.00 C ATOM 0 H ILE A 71 5.700 -8.265 6.649 1.00 0.00 H new ATOM 0 HA ILE A 71 5.967 -10.022 4.273 1.00 0.00 H new ATOM 0 HB ILE A 71 3.757 -9.044 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.743 -7.603 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.149 -9.234 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.357 -6.608 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.959 -7.169 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.055 -6.329 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.025 -7.668 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.868 -8.371 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.471 -6.714 1.927 1.00 0.00 H new ATOM 1151 N VAL A 72 7.867 -8.620 3.348 1.00 0.00 N ATOM 1152 CA VAL A 72 9.116 -7.989 2.905 1.00 0.00 C ATOM 1153 C VAL A 72 9.105 -7.882 1.354 1.00 0.00 C ATOM 1154 O VAL A 72 9.411 -8.838 0.641 1.00 0.00 O ATOM 1155 CB VAL A 72 10.367 -8.786 3.469 1.00 0.00 C ATOM 1156 CG1 VAL A 72 10.226 -10.321 3.269 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.702 -8.267 2.877 1.00 0.00 C ATOM 0 H VAL A 72 7.597 -9.418 2.773 1.00 0.00 H new ATOM 0 HA VAL A 72 9.198 -6.978 3.304 1.00 0.00 H new ATOM 0 HB VAL A 72 10.389 -8.600 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.106 -10.823 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.337 -10.676 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.136 -10.543 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.531 -8.841 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.688 -8.380 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.827 -7.214 3.130 1.00 0.00 H new ATOM 1167 N GLY A 73 8.692 -6.703 0.845 1.00 0.00 N ATOM 1168 CA GLY A 73 8.627 -6.446 -0.600 1.00 0.00 C ATOM 1169 C GLY A 73 7.504 -7.220 -1.300 1.00 0.00 C ATOM 1170 O GLY A 73 6.327 -7.068 -0.944 1.00 0.00 O ATOM 0 H GLY A 73 8.398 -5.914 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.483 -5.379 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.581 -6.713 -1.054 1.00 0.00 H new ATOM 1174 N ASN A 74 7.875 -8.077 -2.280 1.00 0.00 N ATOM 1175 CA ASN A 74 6.901 -8.849 -3.095 1.00 0.00 C ATOM 1176 C ASN A 74 6.710 -10.287 -2.563 1.00 0.00 C ATOM 1177 O ASN A 74 6.131 -11.135 -3.247 1.00 0.00 O ATOM 1178 CB ASN A 74 7.332 -8.881 -4.595 1.00 0.00 C ATOM 1179 CG ASN A 74 8.577 -9.737 -4.885 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.512 -9.794 -4.085 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.584 -10.419 -6.029 1.00 0.00 N ATOM 0 H ASN A 74 8.848 -8.254 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 74 5.942 -8.337 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.501 -9.259 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.524 -7.860 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.380 -11.011 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.793 -10.349 -6.669 1.00 0.00 H new ATOM 1188 N VAL A 75 7.164 -10.540 -1.328 1.00 0.00 N ATOM 1189 CA VAL A 75 7.086 -11.871 -0.685 1.00 0.00 C ATOM 1190 C VAL A 75 6.614 -11.731 0.777 1.00 0.00 C ATOM 1191 O VAL A 75 7.074 -10.838 1.496 1.00 0.00 O ATOM 1192 CB VAL A 75 8.473 -12.626 -0.792 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.654 -11.784 -0.251 1.00 0.00 C ATOM 1194 CG2 VAL A 75 8.430 -14.005 -0.102 1.00 0.00 C ATOM 0 H VAL A 75 7.598 -9.829 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 75 6.349 -12.477 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 75 8.647 -12.782 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.580 -12.351 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.733 -10.859 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.482 -11.549 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.401 -14.490 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.192 -13.876 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.667 -14.624 -0.573 1.00 0.00 H new ATOM 1204 N VAL A 76 5.672 -12.604 1.202 1.00 0.00 N ATOM 1205 CA VAL A 76 5.103 -12.585 2.565 1.00 0.00 C ATOM 1206 C VAL A 76 5.505 -13.868 3.331 1.00 0.00 C ATOM 1207 O VAL A 76 5.569 -14.951 2.743 1.00 0.00 O ATOM 1208 CB VAL A 76 3.520 -12.481 2.547 1.00 0.00 C ATOM 1209 CG1 VAL A 76 2.966 -12.098 3.937 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.013 -11.490 1.483 1.00 0.00 C ATOM 0 H VAL A 76 5.287 -13.339 0.609 1.00 0.00 H new ATOM 0 HA VAL A 76 5.504 -11.703 3.064 1.00 0.00 H new ATOM 0 HB VAL A 76 3.149 -13.471 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.879 -12.035 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.255 -12.856 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.373 -11.132 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.924 -11.454 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.414 -10.498 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.341 -11.816 0.496 1.00 0.00 H new ATOM 1220 N ILE A 77 5.789 -13.710 4.635 1.00 0.00 N ATOM 1221 CA ILE A 77 5.947 -14.808 5.602 1.00 0.00 C ATOM 1222 C ILE A 77 4.635 -14.936 6.389 1.00 0.00 C ATOM 1223 O ILE A 77 4.255 -14.005 7.098 1.00 0.00 O ATOM 1224 CB ILE A 77 7.120 -14.486 6.609 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.506 -14.460 5.900 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.137 -15.434 7.842 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.053 -15.819 5.521 1.00 0.00 C ATOM 0 H ILE A 77 5.918 -12.790 5.056 1.00 0.00 H new ATOM 0 HA ILE A 77 6.181 -15.733 5.075 1.00 0.00 H new ATOM 0 HB ILE A 77 6.921 -13.483 6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.425 -13.853 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.224 -13.965 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.965 -15.164 8.497 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.197 -15.340 8.386 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.261 -16.464 7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.020 -15.699 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.172 -16.427 6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.361 -16.312 4.838 1.00 0.00 H new ATOM 1239 N ASP A 78 3.931 -16.059 6.234 1.00 0.00 N ATOM 1240 CA ASP A 78 2.771 -16.410 7.075 1.00 0.00 C ATOM 1241 C ASP A 78 3.144 -17.614 7.924 1.00 0.00 C ATOM 1242 O ASP A 78 3.229 -18.728 7.421 1.00 0.00 O ATOM 1243 CB ASP A 78 1.505 -16.694 6.204 1.00 0.00 C ATOM 1244 CG ASP A 78 0.746 -15.419 5.793 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.382 -14.374 5.560 1.00 0.00 O ATOM 1246 OD2 ASP A 78 -0.497 -15.442 5.726 1.00 0.00 O ATOM 0 H ASP A 78 4.145 -16.757 5.521 1.00 0.00 H new ATOM 0 HA ASP A 78 2.518 -15.571 7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.805 -17.235 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.831 -17.346 6.759 1.00 0.00 H new ATOM 1251 N HIS A 79 3.377 -17.385 9.222 1.00 0.00 N ATOM 1252 CA HIS A 79 3.800 -18.441 10.139 1.00 0.00 C ATOM 1253 C HIS A 79 2.567 -18.961 10.891 1.00 0.00 C ATOM 1254 O HIS A 79 2.014 -18.290 11.781 1.00 0.00 O ATOM 1255 CB HIS A 79 4.880 -17.925 11.125 1.00 0.00 C ATOM 1256 CG HIS A 79 5.326 -18.979 12.106 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.725 -19.158 13.330 1.00 0.00 N ATOM 1258 CD2 HIS A 79 6.273 -19.942 12.016 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.275 -20.181 13.946 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.215 -20.678 13.170 1.00 0.00 N ATOM 0 H HIS A 79 3.278 -16.469 9.660 1.00 0.00 H new ATOM 0 HA HIS A 79 4.251 -19.256 9.573 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.743 -17.573 10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.486 -17.069 11.673 1.00 0.00 H new ATOM 0 HD1 HIS A 79 3.968 -18.585 13.703 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.949 -20.101 11.188 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.002 -20.551 14.923 1.00 0.00 H new ATOM 1269 N GLU A 80 2.164 -20.171 10.503 1.00 0.00 N ATOM 1270 CA GLU A 80 1.003 -20.876 11.037 1.00 0.00 C ATOM 1271 C GLU A 80 1.477 -22.108 11.817 1.00 0.00 C ATOM 1272 O GLU A 80 2.480 -22.731 11.451 1.00 0.00 O ATOM 1273 CB GLU A 80 0.095 -21.345 9.868 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.355 -20.239 8.890 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.061 -20.812 7.644 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -2.220 -21.271 7.771 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -0.450 -20.825 6.551 1.00 0.00 O ATOM 0 H GLU A 80 2.654 -20.703 9.784 1.00 0.00 H new ATOM 0 HA GLU A 80 0.445 -20.207 11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.627 -22.111 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.793 -21.817 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.029 -19.554 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.513 -19.658 8.578 1.00 0.00 H new ATOM 1284 N THR A 81 0.779 -22.442 12.905 1.00 0.00 N ATOM 1285 CA THR A 81 0.880 -23.763 13.516 1.00 0.00 C ATOM 1286 C THR A 81 -0.212 -24.644 12.885 1.00 0.00 C ATOM 1287 O THR A 81 -1.402 -24.502 13.207 1.00 0.00 O ATOM 1288 CB THR A 81 0.731 -23.699 15.069 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.657 -22.735 15.596 1.00 0.00 O ATOM 1290 CG2 THR A 81 1.002 -25.067 15.722 1.00 0.00 C ATOM 0 H THR A 81 0.135 -21.810 13.381 1.00 0.00 H new ATOM 0 HA THR A 81 1.867 -24.185 13.329 1.00 0.00 H new ATOM 0 HB THR A 81 -0.295 -23.410 15.297 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.558 -23.121 15.611 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.889 -24.983 16.803 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.292 -25.800 15.339 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.017 -25.388 15.487 1.00 0.00 H new ATOM 1298 N VAL A 82 0.191 -25.515 11.938 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.749 -26.364 11.189 1.00 0.00 C ATOM 1300 C VAL A 82 -0.913 -27.730 11.872 1.00 0.00 C ATOM 1301 O VAL A 82 0.069 -28.368 12.268 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.338 -26.535 9.676 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.329 -25.168 8.947 1.00 0.00 C ATOM 1304 CG2 VAL A 82 1.018 -27.264 9.510 1.00 0.00 C ATOM 0 H VAL A 82 1.168 -25.647 11.675 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.712 -25.853 11.196 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.094 -27.168 9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.042 -25.313 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.324 -24.725 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.386 -24.502 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.254 -27.356 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.801 -26.693 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.954 -28.257 9.955 1.00 0.00 H new ATOM 1314 N THR A 83 -2.170 -28.155 12.012 1.00 0.00 N ATOM 1315 CA THR A 83 -2.531 -29.400 12.683 1.00 0.00 C ATOM 1316 C THR A 83 -2.358 -30.605 11.732 1.00 0.00 C ATOM 1317 O THR A 83 -2.935 -30.640 10.641 1.00 0.00 O ATOM 1318 CB THR A 83 -4.000 -29.315 13.211 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.139 -28.180 14.088 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.436 -30.592 13.955 1.00 0.00 C ATOM 0 H THR A 83 -2.974 -27.636 11.658 1.00 0.00 H new ATOM 0 HA THR A 83 -1.863 -29.546 13.532 1.00 0.00 H new ATOM 0 HB THR A 83 -4.647 -29.205 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.062 -28.130 14.415 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.464 -30.479 14.300 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.372 -31.446 13.281 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.782 -30.756 14.811 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.496 -31.550 12.151 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.323 -32.871 11.515 1.00 0.00 C ATOM 1330 C ARG A 84 -1.685 -33.959 12.566 1.00 0.00 C ATOM 1331 O ARG A 84 -2.350 -33.649 13.565 1.00 0.00 O ATOM 1332 CB ARG A 84 0.142 -33.028 10.986 1.00 0.00 C ATOM 1333 CG ARG A 84 0.584 -31.910 10.010 1.00 0.00 C ATOM 1334 CD ARG A 84 1.921 -32.204 9.299 1.00 0.00 C ATOM 1335 NE ARG A 84 3.086 -32.252 10.214 1.00 0.00 N ATOM 1336 CZ ARG A 84 4.318 -32.686 9.864 1.00 0.00 C ATOM 1337 NH1 ARG A 84 4.530 -33.233 8.670 1.00 0.00 N ATOM 1338 NH2 ARG A 84 5.332 -32.577 10.717 1.00 0.00 N ATOM 0 H ARG A 84 -0.887 -31.414 12.958 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.981 -32.978 10.652 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.824 -33.044 11.836 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.235 -33.991 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.193 -31.766 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.673 -30.973 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.842 -33.157 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.096 -31.439 8.543 1.00 0.00 H new ATOM 0 HE ARG A 84 2.949 -31.936 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.759 -33.328 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.463 -33.557 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.182 -32.165 11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.260 -32.905 10.450 1.00 0.00 H new ATOM 1352 N ASN A 85 -1.276 -35.230 12.346 1.00 0.00 N ATOM 1353 CA ASN A 85 -1.567 -36.345 13.291 1.00 0.00 C ATOM 1354 C ASN A 85 -0.274 -37.058 13.716 1.00 0.00 C ATOM 1355 O ASN A 85 0.352 -37.754 12.907 1.00 0.00 O ATOM 1356 CB ASN A 85 -2.560 -37.364 12.665 1.00 0.00 C ATOM 1357 CG ASN A 85 -3.969 -36.805 12.432 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -4.651 -37.179 11.474 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -4.440 -35.938 13.320 1.00 0.00 N ATOM 0 H ASN A 85 -0.743 -35.514 11.524 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.031 -35.912 14.177 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.156 -37.710 11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.630 -38.234 13.317 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.384 -35.566 13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.858 -35.644 14.104 1.00 0.00 H new ATOM 1366 N PHE A 86 0.132 -36.854 14.985 1.00 0.00 N ATOM 1367 CA PHE A 86 1.309 -37.520 15.591 1.00 0.00 C ATOM 1368 C PHE A 86 0.842 -38.547 16.656 1.00 0.00 C ATOM 1369 O PHE A 86 -0.153 -38.299 17.347 1.00 0.00 O ATOM 1370 CB PHE A 86 2.269 -36.478 16.244 1.00 0.00 C ATOM 1371 CG PHE A 86 3.024 -35.532 15.301 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.857 -35.572 13.916 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.893 -34.572 15.827 1.00 0.00 C ATOM 1374 CE1 PHE A 86 3.534 -34.693 13.092 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.566 -33.693 14.996 1.00 0.00 C ATOM 1376 CZ PHE A 86 4.383 -33.755 13.634 1.00 0.00 C ATOM 0 H PHE A 86 -0.348 -36.220 15.624 1.00 0.00 H new ATOM 0 HA PHE A 86 1.854 -38.037 14.801 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.687 -35.870 16.937 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.004 -37.022 16.837 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.189 -36.301 13.482 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.041 -34.515 16.895 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.397 -34.742 12.022 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.235 -32.958 15.417 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.907 -33.066 12.988 1.00 0.00 H new ATOM 1386 N PRO A 87 1.560 -39.716 16.809 1.00 0.00 N ATOM 1387 CA PRO A 87 1.198 -40.779 17.792 1.00 0.00 C ATOM 1388 C PRO A 87 1.263 -40.322 19.276 1.00 0.00 C ATOM 1389 O PRO A 87 0.667 -40.969 20.150 1.00 0.00 O ATOM 1390 CB PRO A 87 2.231 -41.909 17.501 1.00 0.00 C ATOM 1391 CG PRO A 87 3.380 -41.211 16.844 1.00 0.00 C ATOM 1392 CD PRO A 87 2.755 -40.117 16.009 1.00 0.00 C ATOM 0 HA PRO A 87 0.159 -41.087 17.672 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.543 -42.407 18.419 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.808 -42.675 16.851 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.065 -40.798 17.584 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.956 -41.898 16.225 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.440 -39.282 15.862 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.474 -40.477 15.019 1.00 0.00 H new ATOM 1400 N GLU A 88 1.985 -39.217 19.556 1.00 0.00 N ATOM 1401 CA GLU A 88 2.104 -38.657 20.931 1.00 0.00 C ATOM 1402 C GLU A 88 0.867 -37.828 21.336 1.00 0.00 C ATOM 1403 O GLU A 88 0.642 -37.599 22.533 1.00 0.00 O ATOM 1404 CB GLU A 88 3.401 -37.810 21.105 1.00 0.00 C ATOM 1405 CG GLU A 88 3.637 -36.720 20.029 1.00 0.00 C ATOM 1406 CD GLU A 88 4.658 -37.122 18.949 1.00 0.00 C ATOM 1407 OE1 GLU A 88 4.438 -38.130 18.247 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.693 -36.447 18.809 1.00 0.00 O ATOM 0 H GLU A 88 2.498 -38.689 18.850 1.00 0.00 H new ATOM 0 HA GLU A 88 2.164 -39.515 21.600 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.372 -37.330 22.083 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.257 -38.485 21.107 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.687 -36.486 19.548 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.980 -35.808 20.518 1.00 0.00 H new ATOM 1415 N GLY A 89 0.078 -37.366 20.345 1.00 0.00 N ATOM 1416 CA GLY A 89 -1.165 -36.642 20.633 1.00 0.00 C ATOM 1417 C GLY A 89 -1.714 -35.906 19.415 1.00 0.00 C ATOM 1418 O GLY A 89 -2.166 -36.542 18.462 1.00 0.00 O ATOM 0 H GLY A 89 0.280 -37.482 19.352 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.915 -37.345 20.996 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.986 -35.926 21.435 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.670 -34.560 19.462 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.210 -33.682 18.410 1.00 0.00 C ATOM 1424 C LYS A 90 -1.485 -33.892 17.064 1.00 0.00 C ATOM 1425 O LYS A 90 -1.958 -34.642 16.204 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.100 -32.200 18.880 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.676 -31.149 17.908 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.195 -31.286 17.682 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.001 -31.258 18.995 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.460 -31.149 18.765 1.00 0.00 N ATOM 0 H LYS A 90 -1.254 -34.048 20.240 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.257 -33.934 18.244 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.611 -32.102 19.838 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.049 -31.970 19.055 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.463 -30.153 18.295 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.165 -31.234 16.949 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.535 -30.477 17.035 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.397 -32.220 17.158 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.793 -32.164 19.564 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.669 -30.417 19.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.955 -31.134 19.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.665 -30.271 18.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.786 -31.965 18.208 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.321 -33.243 16.911 1.00 0.00 N ATOM 1445 CA GLY A 91 0.445 -33.276 15.677 1.00 0.00 C ATOM 1446 C GLY A 91 0.586 -31.914 15.032 1.00 0.00 C ATOM 1447 O GLY A 91 0.852 -31.814 13.833 1.00 0.00 O ATOM 0 H GLY A 91 0.108 -32.682 17.647 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.437 -33.679 15.882 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.037 -33.956 14.975 1.00 0.00 H new ATOM 1451 N GLU A 92 0.511 -30.860 15.848 1.00 0.00 N ATOM 1452 CA GLU A 92 0.519 -29.473 15.356 1.00 0.00 C ATOM 1453 C GLU A 92 1.981 -29.026 15.231 1.00 0.00 C ATOM 1454 O GLU A 92 2.809 -29.405 16.047 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.276 -28.563 16.342 1.00 0.00 C ATOM 1456 CG GLU A 92 0.265 -28.568 17.788 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.517 -27.675 18.758 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -0.435 -26.436 18.650 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -1.221 -28.212 19.630 1.00 0.00 O ATOM 0 H GLU A 92 0.443 -30.939 16.863 1.00 0.00 H new ATOM 0 HA GLU A 92 0.037 -29.399 14.381 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.263 -27.540 15.965 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.317 -28.884 16.355 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.253 -29.591 18.164 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.306 -28.246 17.775 1.00 0.00 H new ATOM 1466 N VAL A 93 2.324 -28.304 14.153 1.00 0.00 N ATOM 1467 CA VAL A 93 3.728 -27.942 13.856 1.00 0.00 C ATOM 1468 C VAL A 93 3.842 -26.489 13.399 1.00 0.00 C ATOM 1469 O VAL A 93 2.998 -25.997 12.646 1.00 0.00 O ATOM 1470 CB VAL A 93 4.366 -28.906 12.769 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.611 -30.314 13.349 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.487 -28.997 11.497 1.00 0.00 C ATOM 0 H VAL A 93 1.651 -27.957 13.469 1.00 0.00 H new ATOM 0 HA VAL A 93 4.287 -28.059 14.784 1.00 0.00 H new ATOM 0 HB VAL A 93 5.326 -28.475 12.485 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.049 -30.953 12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.293 -30.245 14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.664 -30.741 13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.958 -29.666 10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.503 -29.383 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.381 -28.006 11.056 1.00 0.00 H new ATOM 1482 N ASP A 94 4.912 -25.820 13.857 1.00 0.00 N ATOM 1483 CA ASP A 94 5.248 -24.460 13.432 1.00 0.00 C ATOM 1484 C ASP A 94 5.844 -24.530 12.025 1.00 0.00 C ATOM 1485 O ASP A 94 6.893 -25.126 11.849 1.00 0.00 O ATOM 1486 CB ASP A 94 6.281 -23.812 14.399 1.00 0.00 C ATOM 1487 CG ASP A 94 5.758 -23.544 15.819 1.00 0.00 C ATOM 1488 OD1 ASP A 94 4.629 -23.031 15.964 1.00 0.00 O ATOM 1489 OD2 ASP A 94 6.499 -23.787 16.795 1.00 0.00 O ATOM 0 H ASP A 94 5.567 -26.211 14.534 1.00 0.00 H new ATOM 0 HA ASP A 94 4.346 -23.848 13.441 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.153 -24.463 14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.619 -22.870 13.968 1.00 0.00 H new ATOM 1494 N VAL A 95 5.131 -23.986 11.029 1.00 0.00 N ATOM 1495 CA VAL A 95 5.578 -23.937 9.622 1.00 0.00 C ATOM 1496 C VAL A 95 5.438 -22.493 9.116 1.00 0.00 C ATOM 1497 O VAL A 95 4.414 -21.844 9.363 1.00 0.00 O ATOM 1498 CB VAL A 95 4.738 -24.912 8.697 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.220 -24.894 7.221 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.723 -26.348 9.257 1.00 0.00 C ATOM 0 H VAL A 95 4.215 -23.561 11.175 1.00 0.00 H new ATOM 0 HA VAL A 95 6.617 -24.265 9.578 1.00 0.00 H new ATOM 0 HB VAL A 95 3.715 -24.536 8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.611 -25.579 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.124 -23.885 6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.264 -25.205 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.138 -26.990 8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.744 -26.725 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.276 -26.346 10.251 1.00 0.00 H new ATOM 1510 N ALA A 96 6.479 -21.983 8.441 1.00 0.00 N ATOM 1511 CA ALA A 96 6.439 -20.659 7.805 1.00 0.00 C ATOM 1512 C ALA A 96 6.166 -20.834 6.304 1.00 0.00 C ATOM 1513 O ALA A 96 7.009 -21.362 5.567 1.00 0.00 O ATOM 1514 CB ALA A 96 7.739 -19.880 8.068 1.00 0.00 C ATOM 0 H ALA A 96 7.366 -22.473 8.321 1.00 0.00 H new ATOM 0 HA ALA A 96 5.632 -20.068 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.682 -18.904 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.873 -19.747 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.585 -20.436 7.663 1.00 0.00 H new ATOM 1520 N CYS A 97 4.976 -20.412 5.875 1.00 0.00 N ATOM 1521 CA CYS A 97 4.527 -20.500 4.488 1.00 0.00 C ATOM 1522 C CYS A 97 4.854 -19.168 3.800 1.00 0.00 C ATOM 1523 O CYS A 97 4.228 -18.138 4.069 1.00 0.00 O ATOM 1524 CB CYS A 97 3.014 -20.796 4.471 1.00 0.00 C ATOM 1525 SG CYS A 97 2.552 -22.286 5.380 1.00 0.00 S ATOM 0 H CYS A 97 4.285 -19.991 6.496 1.00 0.00 H new ATOM 0 HA CYS A 97 5.031 -21.305 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.482 -19.944 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.685 -20.896 3.437 1.00 0.00 H new ATOM 0 HG CYS A 97 1.415 -22.093 5.980 1.00 0.00 H new ATOM 1531 N ILE A 98 5.863 -19.210 2.928 1.00 0.00 N ATOM 1532 CA ILE A 98 6.493 -18.024 2.331 1.00 0.00 C ATOM 1533 C ILE A 98 6.192 -17.978 0.810 1.00 0.00 C ATOM 1534 O ILE A 98 6.701 -18.791 0.031 1.00 0.00 O ATOM 1535 CB ILE A 98 8.048 -18.010 2.663 1.00 0.00 C ATOM 1536 CG1 ILE A 98 8.798 -16.873 1.896 1.00 0.00 C ATOM 1537 CG2 ILE A 98 8.710 -19.395 2.443 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.299 -16.777 2.148 1.00 0.00 C ATOM 0 H ILE A 98 6.276 -20.086 2.608 1.00 0.00 H new ATOM 0 HA ILE A 98 6.073 -17.116 2.763 1.00 0.00 H new ATOM 0 HB ILE A 98 8.138 -17.789 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.637 -17.015 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.343 -15.919 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.771 -19.333 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.234 -20.133 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.590 -19.694 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.714 -15.955 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.479 -16.598 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.778 -17.710 1.851 1.00 0.00 H new ATOM 1550 N TYR A 99 5.316 -17.029 0.412 1.00 0.00 N ATOM 1551 CA TYR A 99 4.804 -16.908 -0.974 1.00 0.00 C ATOM 1552 C TYR A 99 5.378 -15.659 -1.648 1.00 0.00 C ATOM 1553 O TYR A 99 5.266 -14.560 -1.097 1.00 0.00 O ATOM 1554 CB TYR A 99 3.256 -16.796 -0.971 1.00 0.00 C ATOM 1555 CG TYR A 99 2.552 -17.891 -0.170 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.461 -19.185 -0.663 1.00 0.00 C ATOM 1557 CD2 TYR A 99 1.991 -17.627 1.082 1.00 0.00 C ATOM 1558 CE1 TYR A 99 1.834 -20.189 0.052 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.357 -18.626 1.805 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.283 -19.907 1.284 1.00 0.00 C ATOM 1561 OH TYR A 99 0.658 -20.914 1.993 1.00 0.00 O ATOM 0 H TYR A 99 4.942 -16.322 1.045 1.00 0.00 H new ATOM 0 HA TYR A 99 5.110 -17.799 -1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.974 -15.825 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.898 -16.827 -2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.890 -19.413 -1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.052 -16.630 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.776 -21.189 -0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.923 -18.406 2.769 1.00 0.00 H new ATOM 0 HH TYR A 99 0.323 -20.557 2.842 1.00 0.00 H new ATOM 1571 N GLU A 100 5.966 -15.825 -2.845 1.00 0.00 N ATOM 1572 CA GLU A 100 6.432 -14.697 -3.662 1.00 0.00 C ATOM 1573 C GLU A 100 5.388 -14.389 -4.746 1.00 0.00 C ATOM 1574 O GLU A 100 5.148 -15.199 -5.653 1.00 0.00 O ATOM 1575 CB GLU A 100 7.809 -14.994 -4.313 1.00 0.00 C ATOM 1576 CG GLU A 100 8.383 -13.813 -5.130 1.00 0.00 C ATOM 1577 CD GLU A 100 9.671 -14.161 -5.894 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.714 -14.382 -5.244 1.00 0.00 O ATOM 1579 OE2 GLU A 100 9.643 -14.225 -7.146 1.00 0.00 O ATOM 0 H GLU A 100 6.130 -16.738 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 100 6.557 -13.831 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.520 -15.261 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.712 -15.862 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.629 -13.474 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.584 -12.980 -4.456 1.00 0.00 H new ATOM 1586 N VAL A 101 4.765 -13.216 -4.613 1.00 0.00 N ATOM 1587 CA VAL A 101 3.768 -12.700 -5.552 1.00 0.00 C ATOM 1588 C VAL A 101 4.445 -11.733 -6.540 1.00 0.00 C ATOM 1589 O VAL A 101 4.912 -10.657 -6.152 1.00 0.00 O ATOM 1590 CB VAL A 101 2.617 -11.973 -4.766 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.510 -11.428 -5.708 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.026 -12.915 -3.685 1.00 0.00 C ATOM 0 H VAL A 101 4.944 -12.585 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 101 3.332 -13.527 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 101 3.054 -11.105 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.739 -10.935 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.945 -10.712 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.067 -12.254 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.230 -12.399 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.622 -13.808 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.810 -13.201 -2.984 1.00 0.00 H new ATOM 1602 N GLU A 102 4.495 -12.138 -7.817 1.00 0.00 N ATOM 1603 CA GLU A 102 5.066 -11.336 -8.908 1.00 0.00 C ATOM 1604 C GLU A 102 3.941 -10.938 -9.876 1.00 0.00 C ATOM 1605 O GLU A 102 3.185 -11.804 -10.344 1.00 0.00 O ATOM 1606 CB GLU A 102 6.160 -12.148 -9.651 1.00 0.00 C ATOM 1607 CG GLU A 102 6.903 -11.395 -10.771 1.00 0.00 C ATOM 1608 CD GLU A 102 7.914 -12.281 -11.523 1.00 0.00 C ATOM 1609 OE1 GLU A 102 8.931 -12.679 -10.916 1.00 0.00 O ATOM 1610 OE2 GLU A 102 7.696 -12.591 -12.719 1.00 0.00 O ATOM 0 H GLU A 102 4.136 -13.042 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 102 5.528 -10.436 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.893 -12.490 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.698 -13.037 -10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.176 -11.000 -11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.426 -10.540 -10.342 1.00 0.00 H new ATOM 1617 N ASN A 103 3.833 -9.625 -10.150 1.00 0.00 N ATOM 1618 CA ASN A 103 2.865 -9.051 -11.113 1.00 0.00 C ATOM 1619 C ASN A 103 1.394 -9.296 -10.679 1.00 0.00 C ATOM 1620 O ASN A 103 0.493 -9.441 -11.519 1.00 0.00 O ATOM 1621 CB ASN A 103 3.145 -9.584 -12.556 1.00 0.00 C ATOM 1622 CG ASN A 103 4.578 -9.303 -13.037 1.00 0.00 C ATOM 1623 OD1 ASN A 103 5.189 -8.297 -12.670 1.00 0.00 O ATOM 1624 ND2 ASN A 103 5.127 -10.192 -13.849 1.00 0.00 N ATOM 0 H ASN A 103 4.422 -8.921 -9.705 1.00 0.00 H new ATOM 0 HA ASN A 103 3.005 -7.970 -11.121 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.964 -10.659 -12.581 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.439 -9.126 -13.249 1.00 0.00 H new ATOM 0 HD21 ASN A 103 6.079 -10.054 -14.187 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.598 -11.015 -14.136 1.00 0.00 H new ATOM 1631 N GLY A 104 1.166 -9.296 -9.348 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.177 -9.470 -8.776 1.00 0.00 C ATOM 1633 C GLY A 104 -0.658 -10.925 -8.724 1.00 0.00 C ATOM 1634 O GLY A 104 -1.822 -11.186 -8.387 1.00 0.00 O ATOM 0 H GLY A 104 1.901 -9.177 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.184 -9.061 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.887 -8.886 -9.362 1.00 0.00 H new ATOM 1638 N ARG A 105 0.234 -11.877 -9.056 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.050 -13.332 -9.023 1.00 0.00 C ATOM 1640 C ARG A 105 1.115 -14.048 -8.334 1.00 0.00 C ATOM 1641 O ARG A 105 2.265 -13.659 -8.509 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.230 -13.908 -10.455 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.472 -13.415 -11.226 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.793 -13.884 -10.591 1.00 0.00 C ATOM 1645 NE ARG A 105 -3.961 -13.419 -11.355 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.197 -13.247 -10.861 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.445 -13.430 -9.569 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.169 -12.857 -11.672 1.00 0.00 N ATOM 0 H ARG A 105 1.184 -11.660 -9.359 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.979 -13.491 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.657 -13.663 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.276 -14.995 -10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.460 -12.326 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.421 -13.773 -12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.804 -14.973 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.857 -13.513 -9.568 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.820 -13.210 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.691 -13.705 -8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.389 -13.296 -9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.974 -12.691 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.113 -12.723 -11.309 1.00 0.00 H new ATOM 1662 N ILE A 106 0.806 -15.097 -7.565 1.00 0.00 N ATOM 1663 CA ILE A 106 1.815 -15.898 -6.854 1.00 0.00 C ATOM 1664 C ILE A 106 2.658 -16.666 -7.881 1.00 0.00 C ATOM 1665 O ILE A 106 2.187 -17.634 -8.473 1.00 0.00 O ATOM 1666 CB ILE A 106 1.126 -16.889 -5.847 1.00 0.00 C ATOM 1667 CG1 ILE A 106 0.165 -16.100 -4.911 1.00 0.00 C ATOM 1668 CG2 ILE A 106 2.167 -17.696 -5.026 1.00 0.00 C ATOM 1669 CD1 ILE A 106 -0.739 -16.965 -4.072 1.00 0.00 C ATOM 0 H ILE A 106 -0.151 -15.417 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 106 2.462 -15.237 -6.277 1.00 0.00 H new ATOM 0 HB ILE A 106 0.549 -17.614 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.759 -15.469 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.450 -15.436 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.649 -18.369 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 106 2.792 -18.278 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.792 -17.009 -4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.374 -16.333 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.363 -17.578 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.135 -17.611 -3.434 1.00 0.00 H new ATOM 1681 N ALA A 107 3.875 -16.169 -8.134 1.00 0.00 N ATOM 1682 CA ALA A 107 4.796 -16.757 -9.121 1.00 0.00 C ATOM 1683 C ALA A 107 5.591 -17.916 -8.509 1.00 0.00 C ATOM 1684 O ALA A 107 6.092 -18.784 -9.233 1.00 0.00 O ATOM 1685 CB ALA A 107 5.742 -15.679 -9.666 1.00 0.00 C ATOM 0 H ALA A 107 4.251 -15.347 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 107 4.207 -17.157 -9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.419 -16.124 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.159 -14.892 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.321 -15.254 -8.846 1.00 0.00 H new ATOM 1691 N LYS A 108 5.712 -17.909 -7.169 1.00 0.00 N ATOM 1692 CA LYS A 108 6.458 -18.926 -6.402 1.00 0.00 C ATOM 1693 C LYS A 108 5.809 -19.091 -5.030 1.00 0.00 C ATOM 1694 O LYS A 108 5.310 -18.120 -4.457 1.00 0.00 O ATOM 1695 CB LYS A 108 7.943 -18.511 -6.204 1.00 0.00 C ATOM 1696 CG LYS A 108 8.788 -18.433 -7.498 1.00 0.00 C ATOM 1697 CD LYS A 108 10.089 -17.635 -7.301 1.00 0.00 C ATOM 1698 CE LYS A 108 10.774 -17.271 -8.620 1.00 0.00 C ATOM 1699 NZ LYS A 108 11.902 -16.335 -8.395 1.00 0.00 N ATOM 0 H LYS A 108 5.290 -17.190 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 108 6.431 -19.861 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.968 -17.538 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.414 -19.222 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.031 -19.442 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.197 -17.970 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.868 -16.722 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.777 -18.219 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.140 -18.176 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.050 -16.817 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.349 -16.105 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.547 -15.463 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.603 -16.780 -7.768 1.00 0.00 H new ATOM 1713 N ALA A 109 5.845 -20.316 -4.506 1.00 0.00 N ATOM 1714 CA ALA A 109 5.349 -20.632 -3.168 1.00 0.00 C ATOM 1715 C ALA A 109 6.263 -21.674 -2.534 1.00 0.00 C ATOM 1716 O ALA A 109 6.614 -22.670 -3.164 1.00 0.00 O ATOM 1717 CB ALA A 109 3.914 -21.149 -3.248 1.00 0.00 C ATOM 0 H ALA A 109 6.222 -21.123 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 109 5.350 -19.733 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.555 -21.381 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.277 -20.386 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.885 -22.050 -3.861 1.00 0.00 H new ATOM 1723 N TRP A 110 6.647 -21.430 -1.282 1.00 0.00 N ATOM 1724 CA TRP A 110 7.546 -22.308 -0.525 1.00 0.00 C ATOM 1725 C TRP A 110 6.970 -22.471 0.889 1.00 0.00 C ATOM 1726 O TRP A 110 6.153 -21.652 1.330 1.00 0.00 O ATOM 1727 CB TRP A 110 8.989 -21.699 -0.452 1.00 0.00 C ATOM 1728 CG TRP A 110 9.516 -21.092 -1.743 1.00 0.00 C ATOM 1729 CD1 TRP A 110 9.757 -21.729 -2.920 1.00 0.00 C ATOM 1730 CD2 TRP A 110 9.873 -19.718 -1.961 1.00 0.00 C ATOM 1731 NE1 TRP A 110 10.235 -20.847 -3.852 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.314 -19.605 -3.287 1.00 0.00 C ATOM 1733 CE3 TRP A 110 9.854 -18.576 -1.164 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 10.742 -18.398 -3.829 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.276 -17.373 -1.701 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.711 -17.293 -3.026 1.00 0.00 C ATOM 0 H TRP A 110 6.342 -20.610 -0.757 1.00 0.00 H new ATOM 0 HA TRP A 110 7.620 -23.276 -1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.000 -20.930 0.320 1.00 0.00 H new ATOM 0 HB3 TRP A 110 9.678 -22.481 -0.133 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.594 -22.782 -3.095 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.491 -21.079 -4.812 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.514 -18.629 -0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.087 -18.336 -4.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 10.269 -16.484 -1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.029 -16.340 -3.423 1.00 0.00 H new ATOM 1747 N PHE A 111 7.380 -23.529 1.587 1.00 0.00 N ATOM 1748 CA PHE A 111 7.083 -23.693 3.015 1.00 0.00 C ATOM 1749 C PHE A 111 8.300 -24.332 3.693 1.00 0.00 C ATOM 1750 O PHE A 111 9.010 -25.148 3.084 1.00 0.00 O ATOM 1751 CB PHE A 111 5.782 -24.528 3.249 1.00 0.00 C ATOM 1752 CG PHE A 111 5.907 -26.033 2.998 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.811 -26.566 1.712 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.128 -26.917 4.059 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.928 -27.930 1.499 1.00 0.00 C ATOM 1756 CE2 PHE A 111 6.245 -28.273 3.847 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.147 -28.784 2.566 1.00 0.00 C ATOM 0 H PHE A 111 7.923 -24.293 1.185 1.00 0.00 H new ATOM 0 HA PHE A 111 6.892 -22.716 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.454 -24.375 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.998 -24.134 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.643 -25.907 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.208 -26.529 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.848 -28.328 0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.413 -28.937 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.241 -29.847 2.398 1.00 0.00 H new ATOM 1767 N LYS A 112 8.544 -23.938 4.944 1.00 0.00 N ATOM 1768 CA LYS A 112 9.615 -24.500 5.770 1.00 0.00 C ATOM 1769 C LYS A 112 9.013 -24.973 7.105 1.00 0.00 C ATOM 1770 O LYS A 112 8.355 -24.198 7.803 1.00 0.00 O ATOM 1771 CB LYS A 112 10.765 -23.459 5.959 1.00 0.00 C ATOM 1772 CG LYS A 112 10.348 -22.102 6.565 1.00 0.00 C ATOM 1773 CD LYS A 112 11.520 -21.094 6.702 1.00 0.00 C ATOM 1774 CE LYS A 112 12.661 -21.599 7.609 1.00 0.00 C ATOM 1775 NZ LYS A 112 12.195 -21.882 8.995 1.00 0.00 N ATOM 0 H LYS A 112 8.001 -23.215 5.416 1.00 0.00 H new ATOM 0 HA LYS A 112 10.064 -25.362 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.529 -23.902 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.227 -23.276 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.571 -21.659 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.910 -22.272 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.922 -20.879 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.137 -20.155 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.090 -22.504 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.455 -20.853 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.007 -22.153 9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.748 -21.031 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.505 -22.660 8.977 1.00 0.00 H new ATOM 1789 N ILE A 113 9.206 -26.265 7.438 1.00 0.00 N ATOM 1790 CA ILE A 113 8.676 -26.857 8.680 1.00 0.00 C ATOM 1791 C ILE A 113 9.714 -26.679 9.794 1.00 0.00 C ATOM 1792 O ILE A 113 10.839 -27.193 9.717 1.00 0.00 O ATOM 1793 CB ILE A 113 8.287 -28.377 8.520 1.00 0.00 C ATOM 1794 CG1 ILE A 113 7.062 -28.528 7.560 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.971 -29.040 9.900 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.722 -29.964 7.188 1.00 0.00 C ATOM 0 H ILE A 113 9.729 -26.921 6.858 1.00 0.00 H new ATOM 0 HA ILE A 113 7.753 -26.336 8.934 1.00 0.00 H new ATOM 0 HB ILE A 113 9.146 -28.892 8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.190 -28.072 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.261 -27.967 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.707 -30.087 9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.848 -28.976 10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.137 -28.520 10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.861 -29.973 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.575 -30.421 6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.487 -30.528 8.091 1.00 0.00 H new ATOM 1808 N GLY A 114 9.310 -25.908 10.798 1.00 0.00 N ATOM 1809 CA GLY A 114 10.165 -25.525 11.918 1.00 0.00 C ATOM 1810 C GLY A 114 10.446 -26.665 12.888 1.00 0.00 C ATOM 1811 O GLY A 114 11.565 -27.196 12.918 1.00 0.00 O ATOM 0 H GLY A 114 8.366 -25.526 10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.111 -25.148 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.694 -24.705 12.460 1.00 0.00 H new ATOM 1815 N GLU A 115 9.422 -27.063 13.674 1.00 0.00 N ATOM 1816 CA GLU A 115 9.598 -28.062 14.744 1.00 0.00 C ATOM 1817 C GLU A 115 8.250 -28.744 15.084 1.00 0.00 C ATOM 1818 O GLU A 115 7.184 -28.222 14.718 1.00 0.00 O ATOM 1819 CB GLU A 115 10.196 -27.384 16.019 1.00 0.00 C ATOM 1820 CG GLU A 115 9.170 -26.644 16.901 1.00 0.00 C ATOM 1821 CD GLU A 115 9.822 -25.954 18.107 1.00 0.00 C ATOM 1822 OE1 GLU A 115 9.962 -26.595 19.172 1.00 0.00 O ATOM 1823 OE2 GLU A 115 10.221 -24.773 17.985 1.00 0.00 O ATOM 0 H GLU A 115 8.470 -26.708 13.586 1.00 0.00 H new ATOM 0 HA GLU A 115 10.290 -28.827 14.391 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.688 -28.147 16.622 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.965 -26.676 15.710 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.648 -25.900 16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.420 -27.353 17.253 1.00 0.00 H new ATOM 1830 N PRO A 116 8.279 -29.928 15.784 1.00 0.00 N ATOM 1831 CA PRO A 116 7.056 -30.569 16.318 1.00 0.00 C ATOM 1832 C PRO A 116 6.518 -29.900 17.615 1.00 0.00 C ATOM 1833 O PRO A 116 7.287 -29.537 18.516 1.00 0.00 O ATOM 1834 CB PRO A 116 7.532 -32.012 16.569 1.00 0.00 C ATOM 1835 CG PRO A 116 8.976 -31.878 16.936 1.00 0.00 C ATOM 1836 CD PRO A 116 9.498 -30.764 16.057 1.00 0.00 C ATOM 0 HA PRO A 116 6.210 -30.490 15.636 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.962 -32.483 17.370 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.405 -32.631 15.681 1.00 0.00 H new ATOM 0 HG2 PRO A 116 9.095 -31.637 17.992 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.517 -32.808 16.759 1.00 0.00 H new ATOM 0 HD2 PRO A 116 10.275 -30.188 16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.933 -31.151 15.136 1.00 0.00 H new ATOM 1844 N ARG A 117 5.183 -29.725 17.673 1.00 0.00 N ATOM 1845 CA ARG A 117 4.458 -29.184 18.849 1.00 0.00 C ATOM 1846 C ARG A 117 3.282 -30.121 19.223 1.00 0.00 C ATOM 1847 O ARG A 117 2.746 -30.838 18.370 1.00 0.00 O ATOM 1848 CB ARG A 117 3.911 -27.755 18.545 1.00 0.00 C ATOM 1849 CG ARG A 117 4.985 -26.673 18.301 1.00 0.00 C ATOM 1850 CD ARG A 117 5.817 -26.379 19.561 1.00 0.00 C ATOM 1851 NE ARG A 117 6.747 -25.259 19.359 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.392 -24.593 20.326 1.00 0.00 C ATOM 1853 NH1 ARG A 117 7.309 -24.967 21.594 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.145 -23.559 19.998 1.00 0.00 N ATOM 0 H ARG A 117 4.566 -29.958 16.895 1.00 0.00 H new ATOM 0 HA ARG A 117 5.154 -29.124 19.686 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.268 -27.810 17.666 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.284 -27.439 19.379 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.648 -26.997 17.499 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.503 -25.755 17.965 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.149 -26.150 20.391 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.379 -27.270 19.841 1.00 0.00 H new ATOM 0 HE ARG A 117 6.916 -24.963 18.398 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.745 -25.777 21.851 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.809 -24.445 22.314 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.229 -23.279 19.021 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.643 -23.041 20.722 1.00 0.00 H new ATOM 1868 N ILE A 118 2.895 -30.098 20.507 1.00 0.00 N ATOM 1869 CA ILE A 118 1.709 -30.816 21.045 1.00 0.00 C ATOM 1870 C ILE A 118 1.010 -29.874 22.048 1.00 0.00 C ATOM 1871 O ILE A 118 1.676 -29.022 22.645 1.00 0.00 O ATOM 1872 CB ILE A 118 2.122 -32.190 21.745 1.00 0.00 C ATOM 1873 CG1 ILE A 118 2.646 -33.222 20.700 1.00 0.00 C ATOM 1874 CG2 ILE A 118 0.977 -32.822 22.574 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.628 -33.662 19.657 1.00 0.00 C ATOM 0 H ILE A 118 3.400 -29.573 21.221 1.00 0.00 H new ATOM 0 HA ILE A 118 1.033 -31.077 20.231 1.00 0.00 H new ATOM 0 HB ILE A 118 2.923 -31.937 22.439 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.505 -32.791 20.186 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.002 -34.104 21.232 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.324 -33.753 23.023 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.673 -32.131 23.360 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.127 -33.028 21.923 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.089 -34.379 18.978 1.00 0.00 H new ATOM 0 HD12 ILE A 118 0.777 -34.128 20.153 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.288 -32.794 19.092 1.00 0.00 H new ATOM 1887 N VAL A 119 -0.321 -30.011 22.219 1.00 0.00 N ATOM 1888 CA VAL A 119 -1.103 -29.188 23.179 1.00 0.00 C ATOM 1889 C VAL A 119 -0.543 -29.322 24.623 1.00 0.00 C ATOM 1890 O VAL A 119 -0.345 -28.320 25.320 1.00 0.00 O ATOM 1891 CB VAL A 119 -2.630 -29.579 23.171 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -3.461 -28.657 24.101 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -3.209 -29.574 21.737 1.00 0.00 C ATOM 0 H VAL A 119 -0.884 -30.687 21.703 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.007 -28.152 22.854 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.700 -30.595 23.559 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.508 -28.957 24.069 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.090 -28.741 25.123 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.369 -27.624 23.766 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.263 -29.848 21.769 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.106 -28.578 21.307 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.666 -30.293 21.123 1.00 0.00 H new