USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 755 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 39 MET CE :methyl 140:sc= -0.428 (180deg=-1.46!) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 46 GLN : amide:sc= -2.92! X(o=-3.3!,f=-3.2) USER MOD Set 2.1: A 3 ASN :FLIP amide:sc= -0.19 F(o=-4.8,f=-2.3) USER MOD Set 2.2: A 4 GLN :FLIP amide:sc= -2.15 X(o=-2.4,f=-2.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -7.55! C(o=-7.6!,f=-12!) USER MOD Single : A 21 GLN : amide:sc= -1.16! X(o=-1.2!,f=-0.92) USER MOD Single : A 24 MET CE :methyl -159:sc= -0.994 (180deg=-1.33) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 171:sc= -13.1! (180deg=-13.3!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 33 TYR OH : rot -150:sc= 0.293 USER MOD Single : A 36 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.0088) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.332 F(o=-3.1!,f=-0.33) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.72! C(o=-3.3!,f=-1.7!) USER MOD Single : A 49 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.2) USER MOD Single : A 50 HIS : no HD1:sc= -12.1! C(o=-12!,f=-14!) USER MOD Single : A 51 MET CE :methyl 150:sc= -3.84! (180deg=-6.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -55:sc= -4.69! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 175:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0083 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= -0.523 (180deg=-0.523) USER MOD Single : A 82 LYS NZ :NH3+ -138:sc= -1.45 (180deg=-3.94!) USER MOD Single : A 83 ASN :FLIP amide:sc= -9.05! C(o=-10!,f=-9.1!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 7.090 -0.867 -0.693 1.00 0.00 N ATOM 38 CA ASN A 3 7.865 -2.099 -0.784 1.00 0.00 C ATOM 39 C ASN A 3 9.350 -1.825 -0.564 1.00 0.00 C ATOM 40 O ASN A 3 9.734 -0.733 -0.147 1.00 0.00 O ATOM 41 CB ASN A 3 7.653 -2.760 -2.147 1.00 0.00 C ATOM 42 CG ASN A 3 7.176 -4.195 -2.025 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.662 -4.895 -1.007 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 6.381 -4.667 -2.838 1.00 0.00 N flip ATOM 0 HA ASN A 3 7.519 -2.775 -0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.924 -2.185 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.587 -2.737 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.034 -4.091 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.070 -5.634 -2.744 1.00 0.00 H new ATOM 51 N GLN A 4 10.179 -2.825 -0.848 1.00 0.00 N ATOM 52 CA GLN A 4 11.621 -2.691 -0.681 1.00 0.00 C ATOM 53 C GLN A 4 12.215 -1.807 -1.772 1.00 0.00 C ATOM 54 O GLN A 4 11.501 -1.318 -2.647 1.00 0.00 O ATOM 55 CB GLN A 4 12.288 -4.068 -0.705 1.00 0.00 C ATOM 56 CG GLN A 4 11.737 -5.029 0.336 1.00 0.00 C ATOM 57 CD GLN A 4 10.464 -5.715 -0.118 1.00 0.00 C ATOM 58 OE1 GLN A 4 9.504 -5.844 0.790 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 10.345 -6.126 -1.273 1.00 0.00 N flip ATOM 0 H GLN A 4 9.877 -3.736 -1.194 1.00 0.00 H new ATOM 0 HA GLN A 4 11.808 -2.221 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.162 -4.506 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.359 -3.946 -0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.490 -5.783 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.542 -4.485 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.109 -6.006 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.483 -6.587 -1.564 1.00 0.00 H new ATOM 68 N VAL A 5 13.528 -1.604 -1.713 1.00 0.00 N ATOM 69 CA VAL A 5 14.219 -0.779 -2.696 1.00 0.00 C ATOM 70 C VAL A 5 15.706 -1.112 -2.746 1.00 0.00 C ATOM 71 O VAL A 5 16.210 -1.873 -1.920 1.00 0.00 O ATOM 72 CB VAL A 5 14.051 0.721 -2.388 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.582 1.114 -2.434 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.658 1.057 -1.034 1.00 0.00 C ATOM 0 H VAL A 5 14.134 -2.000 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 5 13.768 -0.997 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 5 14.580 1.293 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.483 2.177 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.182 0.910 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.028 0.537 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.531 2.121 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.158 0.478 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.720 0.814 -1.041 1.00 0.00 H new ATOM 84 N ARG A 6 16.403 -0.537 -3.720 1.00 0.00 N ATOM 85 CA ARG A 6 17.833 -0.774 -3.879 1.00 0.00 C ATOM 86 C ARG A 6 18.560 0.516 -4.246 1.00 0.00 C ATOM 87 O ARG A 6 18.676 0.882 -5.416 1.00 0.00 O ATOM 88 CB ARG A 6 18.080 -1.834 -4.953 1.00 0.00 C ATOM 89 CG ARG A 6 18.882 -3.027 -4.459 1.00 0.00 C ATOM 90 CD ARG A 6 19.342 -3.905 -5.612 1.00 0.00 C ATOM 91 NE ARG A 6 20.739 -3.663 -5.961 1.00 0.00 N ATOM 92 CZ ARG A 6 21.331 -4.185 -7.029 1.00 0.00 C ATOM 93 NH1 ARG A 6 20.651 -4.974 -7.849 1.00 0.00 N ATOM 94 NH2 ARG A 6 22.607 -3.917 -7.280 1.00 0.00 N ATOM 0 H ARG A 6 16.001 0.096 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 6 18.224 -1.133 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.120 -2.184 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.606 -1.375 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 6 19.749 -2.677 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.274 -3.616 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 6 19.212 -4.953 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.713 -3.719 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 6 21.291 -3.060 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.670 -5.182 -7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.108 -5.373 -8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 6 23.134 -3.310 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 6 23.061 -4.319 -8.101 1.00 0.00 H new ATOM 108 N PRO A 7 19.062 1.225 -3.223 1.00 0.00 N ATOM 109 CA PRO A 7 19.787 2.485 -3.413 1.00 0.00 C ATOM 110 C PRO A 7 21.149 2.277 -4.066 1.00 0.00 C ATOM 111 O PRO A 7 22.070 1.741 -3.450 1.00 0.00 O ATOM 112 CB PRO A 7 19.953 3.017 -1.987 1.00 0.00 C ATOM 113 CG PRO A 7 19.902 1.805 -1.123 1.00 0.00 C ATOM 114 CD PRO A 7 18.962 0.849 -1.803 1.00 0.00 C ATOM 0 HA PRO A 7 19.255 3.166 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 7 20.898 3.547 -1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.159 3.719 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.893 1.364 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.549 2.054 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.256 -0.188 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.943 0.954 -1.430 1.00 0.00 H new ATOM 122 N LYS A 8 21.271 2.707 -5.318 1.00 0.00 N ATOM 123 CA LYS A 8 22.522 2.570 -6.055 1.00 0.00 C ATOM 124 C LYS A 8 23.604 3.466 -5.461 1.00 0.00 C ATOM 125 O LYS A 8 23.452 3.993 -4.358 1.00 0.00 O ATOM 126 CB LYS A 8 22.309 2.920 -7.530 1.00 0.00 C ATOM 127 CG LYS A 8 21.013 2.373 -8.103 1.00 0.00 C ATOM 128 CD LYS A 8 21.266 1.510 -9.328 1.00 0.00 C ATOM 129 CE LYS A 8 22.115 0.295 -8.988 1.00 0.00 C ATOM 130 NZ LYS A 8 22.068 -0.734 -10.065 1.00 0.00 N ATOM 0 H LYS A 8 20.519 3.153 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 8 22.850 1.533 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.317 4.004 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.146 2.533 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.497 1.786 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.354 3.200 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.314 1.184 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.766 2.102 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.147 0.607 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.765 -0.142 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.659 -1.546 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.087 -1.050 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.425 -0.325 -10.952 1.00 0.00 H new ATOM 144 N LEU A 9 24.697 3.634 -6.198 1.00 0.00 N ATOM 145 CA LEU A 9 25.805 4.468 -5.744 1.00 0.00 C ATOM 146 C LEU A 9 25.315 5.859 -5.354 1.00 0.00 C ATOM 147 O LEU A 9 25.449 6.292 -4.209 1.00 0.00 O ATOM 148 CB LEU A 9 26.868 4.577 -6.839 1.00 0.00 C ATOM 149 CG LEU A 9 27.956 3.503 -6.827 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.107 3.899 -7.738 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.453 3.263 -5.410 1.00 0.00 C ATOM 0 H LEU A 9 24.840 3.204 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 9 26.245 3.998 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.368 4.548 -7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.347 5.552 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 9 27.526 2.574 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.872 3.123 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.740 4.019 -8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.536 4.840 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.227 2.496 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.865 4.188 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 9 27.624 2.933 -4.785 1.00 0.00 H new ATOM 163 N PRO A 10 24.733 6.576 -6.326 1.00 0.00 N ATOM 164 CA PRO A 10 24.209 7.927 -6.108 1.00 0.00 C ATOM 165 C PRO A 10 22.966 7.932 -5.225 1.00 0.00 C ATOM 166 O PRO A 10 22.421 8.990 -4.907 1.00 0.00 O ATOM 167 CB PRO A 10 23.864 8.407 -7.520 1.00 0.00 C ATOM 168 CG PRO A 10 23.618 7.159 -8.294 1.00 0.00 C ATOM 169 CD PRO A 10 24.540 6.122 -7.714 1.00 0.00 C ATOM 0 HA PRO A 10 24.927 8.563 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 10 22.984 9.050 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 10 24.680 8.986 -7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.577 6.846 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.820 7.311 -9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.100 5.126 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.484 6.075 -8.257 1.00 0.00 H new ATOM 177 N LEU A 11 22.521 6.743 -4.832 1.00 0.00 N ATOM 178 CA LEU A 11 21.341 6.610 -3.985 1.00 0.00 C ATOM 179 C LEU A 11 21.725 6.139 -2.586 1.00 0.00 C ATOM 180 O LEU A 11 20.972 6.322 -1.629 1.00 0.00 O ATOM 181 CB LEU A 11 20.348 5.628 -4.611 1.00 0.00 C ATOM 182 CG LEU A 11 19.214 6.249 -5.426 1.00 0.00 C ATOM 183 CD1 LEU A 11 19.628 7.609 -5.968 1.00 0.00 C ATOM 184 CD2 LEU A 11 18.804 5.323 -6.562 1.00 0.00 C ATOM 0 H LEU A 11 22.959 5.858 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 11 20.871 7.590 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.901 4.945 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.909 5.028 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 11 18.355 6.388 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.808 8.036 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.871 8.273 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.502 7.494 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.996 5.782 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.658 5.151 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.465 4.372 -6.152 1.00 0.00 H new ATOM 196 N LEU A 12 22.902 5.534 -2.474 1.00 0.00 N ATOM 197 CA LEU A 12 23.389 5.039 -1.190 1.00 0.00 C ATOM 198 C LEU A 12 23.911 6.184 -0.328 1.00 0.00 C ATOM 199 O LEU A 12 23.677 6.223 0.880 1.00 0.00 O ATOM 200 CB LEU A 12 24.493 4.003 -1.407 1.00 0.00 C ATOM 201 CG LEU A 12 24.410 2.743 -0.544 1.00 0.00 C ATOM 202 CD1 LEU A 12 25.799 2.181 -0.284 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.699 3.041 0.768 1.00 0.00 C ATOM 0 H LEU A 12 23.537 5.374 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 12 22.555 4.568 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.481 3.703 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.455 4.482 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 12 23.833 1.993 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.720 1.285 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.273 1.929 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.401 2.926 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.649 2.133 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.249 3.808 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.689 3.396 0.562 1.00 0.00 H new ATOM 215 N LYS A 13 24.619 7.116 -0.957 1.00 0.00 N ATOM 216 CA LYS A 13 25.173 8.265 -0.249 1.00 0.00 C ATOM 217 C LYS A 13 24.061 9.160 0.288 1.00 0.00 C ATOM 218 O LYS A 13 24.241 9.860 1.285 1.00 0.00 O ATOM 219 CB LYS A 13 26.087 9.069 -1.175 1.00 0.00 C ATOM 220 CG LYS A 13 27.515 8.552 -1.218 1.00 0.00 C ATOM 221 CD LYS A 13 28.329 9.251 -2.294 1.00 0.00 C ATOM 222 CE LYS A 13 29.093 10.440 -1.731 1.00 0.00 C ATOM 223 NZ LYS A 13 30.486 10.502 -2.256 1.00 0.00 N ATOM 0 H LYS A 13 24.823 7.098 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 13 25.756 7.894 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.673 9.054 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.096 10.109 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 13 27.987 8.704 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 13 27.509 7.478 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 13 29.030 8.544 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 13 27.667 9.587 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.568 11.362 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.117 10.374 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.974 11.325 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.995 9.634 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 30.463 10.590 -3.292 1.00 0.00 H new ATOM 237 N ILE A 14 22.912 9.133 -0.379 1.00 0.00 N ATOM 238 CA ILE A 14 21.770 9.941 0.033 1.00 0.00 C ATOM 239 C ILE A 14 21.311 9.567 1.438 1.00 0.00 C ATOM 240 O ILE A 14 21.239 10.416 2.327 1.00 0.00 O ATOM 241 CB ILE A 14 20.588 9.783 -0.941 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.055 9.991 -2.383 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.479 10.764 -0.591 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.605 11.375 -2.646 1.00 0.00 C ATOM 0 H ILE A 14 22.747 8.561 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 14 22.099 10.980 0.026 1.00 0.00 H new ATOM 0 HB ILE A 14 20.194 8.771 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 14 21.822 9.253 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.219 9.807 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.650 10.640 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.131 10.573 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 14 19.860 11.783 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.917 11.451 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.833 12.118 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.462 11.555 -1.997 1.00 0.00 H new ATOM 256 N LEU A 15 21.002 8.289 1.633 1.00 0.00 N ATOM 257 CA LEU A 15 20.551 7.801 2.931 1.00 0.00 C ATOM 258 C LEU A 15 21.698 7.787 3.937 1.00 0.00 C ATOM 259 O LEU A 15 21.518 8.136 5.104 1.00 0.00 O ATOM 260 CB LEU A 15 19.962 6.396 2.793 1.00 0.00 C ATOM 261 CG LEU A 15 18.945 6.202 1.667 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.325 7.533 1.273 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.602 5.540 0.464 1.00 0.00 C ATOM 0 H LEU A 15 21.056 7.573 0.909 1.00 0.00 H new ATOM 0 HA LEU A 15 19.779 8.478 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.781 5.694 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.485 6.129 3.736 1.00 0.00 H new ATOM 0 HG LEU A 15 18.151 5.548 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.604 7.375 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.819 7.968 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.107 8.211 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.864 5.410 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.415 6.169 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.998 4.567 0.755 1.00 0.00 H new ATOM 275 N HIS A 16 22.877 7.383 3.475 1.00 0.00 N ATOM 276 CA HIS A 16 24.055 7.327 4.334 1.00 0.00 C ATOM 277 C HIS A 16 24.313 8.679 4.992 1.00 0.00 C ATOM 278 O HIS A 16 24.605 8.753 6.185 1.00 0.00 O ATOM 279 CB HIS A 16 25.280 6.897 3.526 1.00 0.00 C ATOM 280 CG HIS A 16 25.412 5.413 3.381 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.622 4.779 3.196 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.475 4.435 3.396 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.425 3.476 3.102 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.130 3.241 3.220 1.00 0.00 N ATOM 0 H HIS A 16 23.042 7.090 2.512 1.00 0.00 H new ATOM 0 HA HIS A 16 23.869 6.592 5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.227 7.347 2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.177 7.288 4.006 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.528 5.244 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.411 4.569 3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.192 2.730 2.954 1.00 0.00 H new ATOM 292 N ALA A 17 24.203 9.745 4.206 1.00 0.00 N ATOM 293 CA ALA A 17 24.423 11.093 4.713 1.00 0.00 C ATOM 294 C ALA A 17 23.501 11.395 5.889 1.00 0.00 C ATOM 295 O ALA A 17 23.924 11.975 6.889 1.00 0.00 O ATOM 296 CB ALA A 17 24.218 12.114 3.603 1.00 0.00 C ATOM 0 H ALA A 17 23.963 9.701 3.216 1.00 0.00 H new ATOM 0 HA ALA A 17 25.452 11.158 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.385 13.117 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.922 11.919 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.199 12.039 3.223 1.00 0.00 H new ATOM 302 N ALA A 18 22.239 10.999 5.762 1.00 0.00 N ATOM 303 CA ALA A 18 21.257 11.227 6.815 1.00 0.00 C ATOM 304 C ALA A 18 21.542 10.350 8.030 1.00 0.00 C ATOM 305 O ALA A 18 20.974 10.554 9.102 1.00 0.00 O ATOM 306 CB ALA A 18 19.852 10.966 6.292 1.00 0.00 C ATOM 0 H ALA A 18 21.872 10.519 4.940 1.00 0.00 H new ATOM 0 HA ALA A 18 21.330 12.269 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.129 11.140 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.643 11.638 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.776 9.933 5.953 1.00 0.00 H new ATOM 312 N GLY A 19 22.426 9.372 7.854 1.00 0.00 N ATOM 313 CA GLY A 19 22.770 8.479 8.944 1.00 0.00 C ATOM 314 C GLY A 19 22.541 7.022 8.594 1.00 0.00 C ATOM 315 O GLY A 19 22.911 6.128 9.355 1.00 0.00 O ATOM 0 H GLY A 19 22.910 9.183 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.816 8.625 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.177 8.736 9.821 1.00 0.00 H new ATOM 319 N ALA A 20 21.929 6.781 7.440 1.00 0.00 N ATOM 320 CA ALA A 20 21.651 5.423 6.990 1.00 0.00 C ATOM 321 C ALA A 20 22.944 4.651 6.746 1.00 0.00 C ATOM 322 O ALA A 20 24.035 5.215 6.809 1.00 0.00 O ATOM 323 CB ALA A 20 20.802 5.447 5.728 1.00 0.00 C ATOM 0 H ALA A 20 21.616 7.510 6.799 1.00 0.00 H new ATOM 0 HA ALA A 20 21.096 4.913 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.603 4.426 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.859 5.953 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.335 5.980 4.941 1.00 0.00 H new ATOM 329 N GLN A 21 22.811 3.358 6.469 1.00 0.00 N ATOM 330 CA GLN A 21 23.970 2.509 6.217 1.00 0.00 C ATOM 331 C GLN A 21 23.537 1.116 5.769 1.00 0.00 C ATOM 332 O GLN A 21 22.740 0.459 6.437 1.00 0.00 O ATOM 333 CB GLN A 21 24.837 2.407 7.472 1.00 0.00 C ATOM 334 CG GLN A 21 26.328 2.497 7.191 1.00 0.00 C ATOM 335 CD GLN A 21 26.918 3.836 7.586 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.734 3.922 8.504 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.507 4.892 6.893 1.00 0.00 N ATOM 0 H GLN A 21 21.914 2.876 6.413 1.00 0.00 H new ATOM 0 HA GLN A 21 24.554 2.963 5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.557 3.203 8.162 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.627 1.462 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.844 1.704 7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.504 2.326 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.829 4.775 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.869 5.820 7.114 1.00 0.00 H new ATOM 346 N GLY A 22 24.070 0.672 4.635 1.00 0.00 N ATOM 347 CA GLY A 22 23.726 -0.639 4.118 1.00 0.00 C ATOM 348 C GLY A 22 23.614 -0.655 2.606 1.00 0.00 C ATOM 349 O GLY A 22 24.248 0.147 1.922 1.00 0.00 O ATOM 0 H GLY A 22 24.734 1.197 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.482 -1.359 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.780 -0.961 4.553 1.00 0.00 H new ATOM 353 N GLU A 23 22.805 -1.572 2.084 1.00 0.00 N ATOM 354 CA GLU A 23 22.615 -1.691 0.643 1.00 0.00 C ATOM 355 C GLU A 23 21.185 -2.112 0.316 1.00 0.00 C ATOM 356 O GLU A 23 20.893 -2.540 -0.800 1.00 0.00 O ATOM 357 CB GLU A 23 23.603 -2.701 0.057 1.00 0.00 C ATOM 358 CG GLU A 23 25.050 -2.420 0.422 1.00 0.00 C ATOM 359 CD GLU A 23 26.024 -3.313 -0.321 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.592 -4.367 -0.832 1.00 0.00 O ATOM 361 OE2 GLU A 23 27.219 -2.958 -0.392 1.00 0.00 O ATOM 0 H GLU A 23 22.271 -2.243 2.637 1.00 0.00 H new ATOM 0 HA GLU A 23 22.799 -0.714 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.337 -3.700 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.505 -2.704 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.280 -1.377 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.183 -2.557 1.495 1.00 0.00 H new ATOM 368 N MET A 24 20.298 -1.988 1.298 1.00 0.00 N ATOM 369 CA MET A 24 18.899 -2.355 1.115 1.00 0.00 C ATOM 370 C MET A 24 18.019 -1.686 2.167 1.00 0.00 C ATOM 371 O MET A 24 18.389 -1.605 3.338 1.00 0.00 O ATOM 372 CB MET A 24 18.734 -3.874 1.186 1.00 0.00 C ATOM 373 CG MET A 24 19.705 -4.546 2.143 1.00 0.00 C ATOM 374 SD MET A 24 21.103 -5.306 1.295 1.00 0.00 S ATOM 375 CE MET A 24 22.398 -5.089 2.514 1.00 0.00 C ATOM 0 H MET A 24 20.523 -1.636 2.228 1.00 0.00 H new ATOM 0 HA MET A 24 18.585 -2.009 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.714 -4.107 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.870 -4.293 0.189 1.00 0.00 H new ATOM 0 HG2 MET A 24 20.075 -3.809 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.176 -5.307 2.716 1.00 0.00 H new ATOM 0 HE1 MET A 24 23.371 -5.154 2.027 1.00 0.00 H new ATOM 0 HE2 MET A 24 22.293 -4.112 2.986 1.00 0.00 H new ATOM 0 HE3 MET A 24 22.319 -5.869 3.271 1.00 0.00 H new ATOM 385 N PHE A 25 16.854 -1.209 1.741 1.00 0.00 N ATOM 386 CA PHE A 25 15.923 -0.546 2.646 1.00 0.00 C ATOM 387 C PHE A 25 14.521 -0.498 2.045 1.00 0.00 C ATOM 388 O PHE A 25 14.336 -0.737 0.851 1.00 0.00 O ATOM 389 CB PHE A 25 16.405 0.871 2.960 1.00 0.00 C ATOM 390 CG PHE A 25 17.849 0.937 3.367 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.853 0.920 2.413 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.203 1.015 4.705 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.183 0.981 2.784 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.531 1.077 5.082 1.00 0.00 C ATOM 395 CZ PHE A 25 20.523 1.058 4.120 1.00 0.00 C ATOM 0 H PHE A 25 16.532 -1.269 0.775 1.00 0.00 H new ATOM 0 HA PHE A 25 15.883 -1.121 3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.254 1.500 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.791 1.286 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.593 0.858 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.432 1.027 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.956 0.968 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.793 1.140 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.562 1.103 4.413 1.00 0.00 H new ATOM 405 N THR A 26 13.535 -0.187 2.881 1.00 0.00 N ATOM 406 CA THR A 26 12.151 -0.108 2.433 1.00 0.00 C ATOM 407 C THR A 26 11.756 1.330 2.117 1.00 0.00 C ATOM 408 O THR A 26 12.518 2.263 2.368 1.00 0.00 O ATOM 409 CB THR A 26 11.185 -0.672 3.493 1.00 0.00 C ATOM 410 OG1 THR A 26 11.906 -1.009 4.683 1.00 0.00 O ATOM 411 CG2 THR A 26 10.463 -1.904 2.966 1.00 0.00 C ATOM 0 H THR A 26 13.670 0.014 3.872 1.00 0.00 H new ATOM 0 HA THR A 26 12.077 -0.709 1.527 1.00 0.00 H new ATOM 0 HB THR A 26 10.444 0.094 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.285 -1.365 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.787 -2.285 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.892 -1.638 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.193 -2.673 2.712 1.00 0.00 H new ATOM 419 N VAL A 27 10.559 1.502 1.565 1.00 0.00 N ATOM 420 CA VAL A 27 10.062 2.828 1.216 1.00 0.00 C ATOM 421 C VAL A 27 10.133 3.773 2.409 1.00 0.00 C ATOM 422 O VAL A 27 10.582 4.913 2.287 1.00 0.00 O ATOM 423 CB VAL A 27 8.609 2.767 0.709 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.274 4.008 -0.104 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.383 1.505 -0.111 1.00 0.00 C ATOM 0 H VAL A 27 9.916 0.740 1.350 1.00 0.00 H new ATOM 0 HA VAL A 27 10.702 3.206 0.419 1.00 0.00 H new ATOM 0 HB VAL A 27 7.943 2.737 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.243 3.947 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.394 4.894 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.944 4.074 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.351 1.478 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.057 1.502 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.579 0.629 0.508 1.00 0.00 H new ATOM 435 N LYS A 28 9.687 3.293 3.565 1.00 0.00 N ATOM 436 CA LYS A 28 9.701 4.093 4.784 1.00 0.00 C ATOM 437 C LYS A 28 11.131 4.411 5.210 1.00 0.00 C ATOM 438 O LYS A 28 11.443 5.546 5.569 1.00 0.00 O ATOM 439 CB LYS A 28 8.974 3.357 5.911 1.00 0.00 C ATOM 440 CG LYS A 28 7.499 3.707 6.014 1.00 0.00 C ATOM 441 CD LYS A 28 6.634 2.694 5.283 1.00 0.00 C ATOM 442 CE LYS A 28 6.801 1.298 5.862 1.00 0.00 C ATOM 443 NZ LYS A 28 5.569 0.477 5.696 1.00 0.00 N ATOM 0 H LYS A 28 9.311 2.352 3.683 1.00 0.00 H new ATOM 0 HA LYS A 28 9.184 5.031 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.074 2.283 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.461 3.589 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.206 3.747 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.330 4.700 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.588 2.993 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.898 2.684 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.638 0.800 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.049 1.371 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.724 -0.467 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.775 0.939 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.347 0.385 4.684 1.00 0.00 H new ATOM 457 N GLU A 29 11.995 3.402 5.165 1.00 0.00 N ATOM 458 CA GLU A 29 13.392 3.575 5.547 1.00 0.00 C ATOM 459 C GLU A 29 14.089 4.569 4.621 1.00 0.00 C ATOM 460 O GLU A 29 14.900 5.382 5.063 1.00 0.00 O ATOM 461 CB GLU A 29 14.123 2.232 5.514 1.00 0.00 C ATOM 462 CG GLU A 29 13.578 1.218 6.506 1.00 0.00 C ATOM 463 CD GLU A 29 13.836 1.614 7.947 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.312 2.746 8.174 1.00 0.00 O ATOM 465 OE2 GLU A 29 13.564 0.792 8.847 1.00 0.00 O ATOM 0 H GLU A 29 11.753 2.457 4.868 1.00 0.00 H new ATOM 0 HA GLU A 29 13.419 3.970 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.056 1.816 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.180 2.398 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.505 1.104 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.033 0.246 6.313 1.00 0.00 H new ATOM 472 N VAL A 30 13.767 4.495 3.333 1.00 0.00 N ATOM 473 CA VAL A 30 14.360 5.387 2.345 1.00 0.00 C ATOM 474 C VAL A 30 13.906 6.826 2.560 1.00 0.00 C ATOM 475 O VAL A 30 14.711 7.756 2.512 1.00 0.00 O ATOM 476 CB VAL A 30 14.000 4.955 0.911 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.617 5.905 -0.104 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.450 3.524 0.657 1.00 0.00 C ATOM 0 H VAL A 30 13.099 3.826 2.950 1.00 0.00 H new ATOM 0 HA VAL A 30 15.441 5.328 2.474 1.00 0.00 H new ATOM 0 HB VAL A 30 12.917 4.996 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.352 5.584 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.241 6.914 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.702 5.899 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.188 3.235 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.530 3.454 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.955 2.856 1.362 1.00 0.00 H new ATOM 488 N MET A 31 12.610 7.003 2.797 1.00 0.00 N ATOM 489 CA MET A 31 12.049 8.330 3.021 1.00 0.00 C ATOM 490 C MET A 31 12.519 8.900 4.355 1.00 0.00 C ATOM 491 O MET A 31 12.881 10.074 4.446 1.00 0.00 O ATOM 492 CB MET A 31 10.520 8.272 2.988 1.00 0.00 C ATOM 493 CG MET A 31 9.859 8.993 4.152 1.00 0.00 C ATOM 494 SD MET A 31 8.134 9.402 3.826 1.00 0.00 S ATOM 495 CE MET A 31 8.314 10.620 2.525 1.00 0.00 C ATOM 0 H MET A 31 11.929 6.245 2.839 1.00 0.00 H new ATOM 0 HA MET A 31 12.398 8.985 2.223 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.168 8.709 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.204 7.229 2.991 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.918 8.367 5.043 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.411 9.908 4.368 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.335 10.852 2.106 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.758 11.527 2.935 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.959 10.223 1.741 1.00 0.00 H new ATOM 505 N HIS A 32 12.510 8.064 5.388 1.00 0.00 N ATOM 506 CA HIS A 32 12.936 8.486 6.718 1.00 0.00 C ATOM 507 C HIS A 32 14.301 9.165 6.661 1.00 0.00 C ATOM 508 O HIS A 32 14.585 10.077 7.438 1.00 0.00 O ATOM 509 CB HIS A 32 12.990 7.286 7.664 1.00 0.00 C ATOM 510 CG HIS A 32 12.733 7.641 9.096 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.701 7.098 9.833 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.382 8.489 9.928 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.726 7.598 11.056 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.736 8.444 11.140 1.00 0.00 N ATOM 0 H HIS A 32 12.212 7.090 5.330 1.00 0.00 H new ATOM 0 HA HIS A 32 12.208 9.204 7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.255 6.548 7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.970 6.815 7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.246 9.089 9.685 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.037 7.356 11.852 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.995 8.978 11.970 1.00 0.00 H new ATOM 522 N TYR A 33 15.142 8.715 5.736 1.00 0.00 N ATOM 523 CA TYR A 33 16.479 9.277 5.580 1.00 0.00 C ATOM 524 C TYR A 33 16.420 10.639 4.896 1.00 0.00 C ATOM 525 O TYR A 33 17.196 11.541 5.215 1.00 0.00 O ATOM 526 CB TYR A 33 17.363 8.326 4.772 1.00 0.00 C ATOM 527 CG TYR A 33 17.624 7.007 5.464 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.078 6.965 6.776 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.415 5.801 4.805 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.317 5.762 7.411 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.650 4.594 5.433 1.00 0.00 C ATOM 532 CZ TYR A 33 18.102 4.579 6.736 1.00 0.00 C ATOM 533 OH TYR A 33 18.339 3.379 7.365 1.00 0.00 O ATOM 0 H TYR A 33 14.922 7.963 5.083 1.00 0.00 H new ATOM 0 HA TYR A 33 16.910 9.407 6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.890 8.134 3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.316 8.814 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.247 7.889 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.063 5.808 3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.671 5.748 8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.481 3.666 4.907 1.00 0.00 H new ATOM 0 HH TYR A 33 18.615 2.711 6.703 1.00 0.00 H new ATOM 543 N LEU A 34 15.494 10.782 3.955 1.00 0.00 N ATOM 544 CA LEU A 34 15.331 12.034 3.225 1.00 0.00 C ATOM 545 C LEU A 34 15.236 13.216 4.185 1.00 0.00 C ATOM 546 O LEU A 34 16.043 14.143 4.126 1.00 0.00 O ATOM 547 CB LEU A 34 14.081 11.976 2.345 1.00 0.00 C ATOM 548 CG LEU A 34 14.325 11.919 0.836 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.977 13.204 0.351 1.00 0.00 C ATOM 550 CD2 LEU A 34 15.185 10.715 0.480 1.00 0.00 C ATOM 0 H LEU A 34 14.844 10.046 3.679 1.00 0.00 H new ATOM 0 HA LEU A 34 16.207 12.173 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.499 11.100 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.468 12.851 2.561 1.00 0.00 H new ATOM 0 HG LEU A 34 13.362 11.814 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.143 13.144 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.324 14.049 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.932 13.341 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.348 10.690 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.145 10.790 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.679 9.801 0.791 1.00 0.00 H new ATOM 562 N GLY A 35 14.245 13.174 5.071 1.00 0.00 N ATOM 563 CA GLY A 35 14.065 14.246 6.032 1.00 0.00 C ATOM 564 C GLY A 35 15.326 14.535 6.822 1.00 0.00 C ATOM 565 O GLY A 35 15.722 15.691 6.968 1.00 0.00 O ATOM 0 H GLY A 35 13.565 12.417 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.753 15.150 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.262 13.982 6.720 1.00 0.00 H new ATOM 569 N GLN A 36 15.957 13.483 7.333 1.00 0.00 N ATOM 570 CA GLN A 36 17.179 13.631 8.114 1.00 0.00 C ATOM 571 C GLN A 36 18.278 14.287 7.286 1.00 0.00 C ATOM 572 O GLN A 36 19.045 15.107 7.791 1.00 0.00 O ATOM 573 CB GLN A 36 17.652 12.268 8.624 1.00 0.00 C ATOM 574 CG GLN A 36 16.691 11.620 9.607 1.00 0.00 C ATOM 575 CD GLN A 36 16.714 12.284 10.969 1.00 0.00 C ATOM 576 OE1 GLN A 36 15.673 12.674 11.500 1.00 0.00 O ATOM 577 NE2 GLN A 36 17.903 12.418 11.544 1.00 0.00 N ATOM 0 H GLN A 36 15.642 12.519 7.220 1.00 0.00 H new ATOM 0 HA GLN A 36 16.960 14.274 8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.794 11.601 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.624 12.386 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.680 11.664 9.203 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.945 10.566 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.740 12.081 11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.979 12.858 12.461 1.00 0.00 H new ATOM 586 N TYR A 37 18.350 13.920 6.011 1.00 0.00 N ATOM 587 CA TYR A 37 19.358 14.471 5.113 1.00 0.00 C ATOM 588 C TYR A 37 19.171 15.975 4.941 1.00 0.00 C ATOM 589 O TYR A 37 20.127 16.745 5.036 1.00 0.00 O ATOM 590 CB TYR A 37 19.290 13.778 3.750 1.00 0.00 C ATOM 591 CG TYR A 37 20.221 14.377 2.720 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.589 14.141 2.771 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.732 15.176 1.694 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.443 14.687 1.832 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.578 15.725 0.750 1.00 0.00 C ATOM 596 CZ TYR A 37 21.933 15.477 0.824 1.00 0.00 C ATOM 597 OH TYR A 37 22.780 16.021 -0.114 1.00 0.00 O ATOM 0 H TYR A 37 17.722 13.243 5.576 1.00 0.00 H new ATOM 0 HA TYR A 37 20.338 14.294 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.531 12.723 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.267 13.829 3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.992 13.520 3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.672 15.371 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.504 14.496 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.181 16.344 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 37 23.551 15.430 -0.240 1.00 0.00 H new ATOM 607 N ILE A 38 17.933 16.386 4.688 1.00 0.00 N ATOM 608 CA ILE A 38 17.619 17.797 4.504 1.00 0.00 C ATOM 609 C ILE A 38 17.960 18.603 5.753 1.00 0.00 C ATOM 610 O ILE A 38 18.573 19.667 5.670 1.00 0.00 O ATOM 611 CB ILE A 38 16.131 18.003 4.164 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.736 17.143 2.962 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.850 19.473 3.886 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.263 17.213 2.627 1.00 0.00 C ATOM 0 H ILE A 38 17.131 15.761 4.606 1.00 0.00 H new ATOM 0 HA ILE A 38 18.226 18.149 3.670 1.00 0.00 H new ATOM 0 HB ILE A 38 15.532 17.694 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.313 17.460 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.006 16.106 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.794 19.603 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.098 20.064 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.456 19.806 3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.055 16.579 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.679 16.868 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.991 18.243 2.394 1.00 0.00 H new ATOM 626 N MET A 39 17.560 18.087 6.911 1.00 0.00 N ATOM 627 CA MET A 39 17.826 18.758 8.178 1.00 0.00 C ATOM 628 C MET A 39 19.323 18.804 8.465 1.00 0.00 C ATOM 629 O MET A 39 19.823 19.761 9.056 1.00 0.00 O ATOM 630 CB MET A 39 17.098 18.044 9.319 1.00 0.00 C ATOM 631 CG MET A 39 18.030 17.316 10.273 1.00 0.00 C ATOM 632 SD MET A 39 18.875 18.433 11.409 1.00 0.00 S ATOM 633 CE MET A 39 17.480 19.208 12.222 1.00 0.00 C ATOM 0 H MET A 39 17.051 17.207 6.998 1.00 0.00 H new ATOM 0 HA MET A 39 17.457 19.781 8.104 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.515 18.774 9.880 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.392 17.329 8.897 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.459 16.586 10.846 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.771 16.761 9.698 1.00 0.00 H new ATOM 0 HE1 MET A 39 17.696 19.323 13.284 1.00 0.00 H new ATOM 0 HE2 MET A 39 17.300 20.188 11.780 1.00 0.00 H new ATOM 0 HE3 MET A 39 16.594 18.585 12.097 1.00 0.00 H new ATOM 643 N VAL A 40 20.035 17.763 8.043 1.00 0.00 N ATOM 644 CA VAL A 40 21.475 17.686 8.254 1.00 0.00 C ATOM 645 C VAL A 40 22.212 18.706 7.393 1.00 0.00 C ATOM 646 O VAL A 40 23.187 19.317 7.832 1.00 0.00 O ATOM 647 CB VAL A 40 22.014 16.279 7.936 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.807 16.290 6.639 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.866 15.763 9.087 1.00 0.00 C ATOM 0 H VAL A 40 19.637 16.962 7.553 1.00 0.00 H new ATOM 0 HA VAL A 40 21.653 17.907 9.307 1.00 0.00 H new ATOM 0 HB VAL A 40 21.167 15.605 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.179 15.287 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.163 16.614 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.648 16.977 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.239 14.768 8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.708 16.437 9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.262 15.715 9.993 1.00 0.00 H new ATOM 659 N LYS A 41 21.740 18.887 6.165 1.00 0.00 N ATOM 660 CA LYS A 41 22.352 19.835 5.241 1.00 0.00 C ATOM 661 C LYS A 41 21.778 21.234 5.438 1.00 0.00 C ATOM 662 O LYS A 41 22.347 22.219 4.968 1.00 0.00 O ATOM 663 CB LYS A 41 22.134 19.382 3.795 1.00 0.00 C ATOM 664 CG LYS A 41 23.239 18.484 3.267 1.00 0.00 C ATOM 665 CD LYS A 41 24.608 19.120 3.444 1.00 0.00 C ATOM 666 CE LYS A 41 25.404 18.431 4.542 1.00 0.00 C ATOM 667 NZ LYS A 41 26.367 17.439 3.989 1.00 0.00 N ATOM 0 H LYS A 41 20.935 18.389 5.786 1.00 0.00 H new ATOM 0 HA LYS A 41 23.422 19.867 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.184 18.852 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.055 20.261 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.211 17.527 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.067 18.277 2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.159 19.067 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.491 20.176 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.945 19.179 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.720 17.930 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.890 16.991 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.849 16.711 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.036 17.921 3.355 1.00 0.00 H new ATOM 681 N GLN A 42 20.650 21.314 6.137 1.00 0.00 N ATOM 682 CA GLN A 42 20.001 22.593 6.397 1.00 0.00 C ATOM 683 C GLN A 42 19.505 23.225 5.100 1.00 0.00 C ATOM 684 O GLN A 42 19.861 24.359 4.774 1.00 0.00 O ATOM 685 CB GLN A 42 20.967 23.545 7.105 1.00 0.00 C ATOM 686 CG GLN A 42 20.822 23.545 8.618 1.00 0.00 C ATOM 687 CD GLN A 42 21.893 22.722 9.307 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.170 21.540 8.769 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 22.465 23.144 10.313 1.00 0.00 N flip ATOM 0 H GLN A 42 20.167 20.508 6.533 1.00 0.00 H new ATOM 0 HA GLN A 42 19.142 22.411 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 42 21.990 23.270 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.805 24.557 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.866 24.571 8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.840 23.154 8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.221 24.059 10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.183 22.579 10.766 1.00 0.00 H new ATOM 698 N LEU A 43 18.683 22.486 4.364 1.00 0.00 N ATOM 699 CA LEU A 43 18.138 22.973 3.102 1.00 0.00 C ATOM 700 C LEU A 43 16.620 23.104 3.179 1.00 0.00 C ATOM 701 O LEU A 43 15.892 22.435 2.445 1.00 0.00 O ATOM 702 CB LEU A 43 18.523 22.032 1.960 1.00 0.00 C ATOM 703 CG LEU A 43 18.327 22.577 0.545 1.00 0.00 C ATOM 704 CD1 LEU A 43 18.527 24.084 0.521 1.00 0.00 C ATOM 705 CD2 LEU A 43 19.279 21.895 -0.427 1.00 0.00 C ATOM 0 H LEU A 43 18.379 21.547 4.620 1.00 0.00 H new ATOM 0 HA LEU A 43 18.560 23.959 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.571 21.758 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.940 21.116 2.059 1.00 0.00 H new ATOM 0 HG LEU A 43 17.305 22.362 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.384 24.454 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.804 24.558 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.537 24.322 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.125 22.296 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.308 22.078 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.087 20.822 -0.432 1.00 0.00 H new ATOM 717 N TYR A 44 16.151 23.971 4.069 1.00 0.00 N ATOM 718 CA TYR A 44 14.720 24.189 4.242 1.00 0.00 C ATOM 719 C TYR A 44 14.451 25.528 4.923 1.00 0.00 C ATOM 720 O TYR A 44 15.352 26.133 5.504 1.00 0.00 O ATOM 721 CB TYR A 44 14.104 23.054 5.062 1.00 0.00 C ATOM 722 CG TYR A 44 14.713 22.902 6.437 1.00 0.00 C ATOM 723 CD1 TYR A 44 15.973 22.340 6.603 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.029 23.322 7.572 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.533 22.198 7.857 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.582 23.185 8.830 1.00 0.00 C ATOM 727 CZ TYR A 44 15.833 22.622 8.968 1.00 0.00 C ATOM 728 OH TYR A 44 16.388 22.484 10.220 1.00 0.00 O ATOM 0 H TYR A 44 16.741 24.534 4.682 1.00 0.00 H new ATOM 0 HA TYR A 44 14.259 24.205 3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.033 23.231 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.221 22.118 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.524 22.008 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.049 23.763 7.468 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.513 21.758 7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.037 23.517 9.701 1.00 0.00 H new ATOM 0 HH TYR A 44 15.767 22.832 10.893 1.00 0.00 H new ATOM 738 N ASP A 45 13.206 25.983 4.848 1.00 0.00 N ATOM 739 CA ASP A 45 12.816 27.249 5.458 1.00 0.00 C ATOM 740 C ASP A 45 12.675 27.102 6.970 1.00 0.00 C ATOM 741 O ASP A 45 11.707 26.519 7.458 1.00 0.00 O ATOM 742 CB ASP A 45 11.501 27.746 4.857 1.00 0.00 C ATOM 743 CG ASP A 45 10.851 28.826 5.699 1.00 0.00 C ATOM 744 OD1 ASP A 45 11.533 29.824 6.015 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.660 28.675 6.041 1.00 0.00 O ATOM 0 H ASP A 45 12.449 25.494 4.371 1.00 0.00 H new ATOM 0 HA ASP A 45 13.599 27.979 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.686 28.133 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.813 26.907 4.753 1.00 0.00 H new ATOM 750 N GLN A 46 13.646 27.634 7.705 1.00 0.00 N ATOM 751 CA GLN A 46 13.630 27.560 9.161 1.00 0.00 C ATOM 752 C GLN A 46 12.276 27.992 9.713 1.00 0.00 C ATOM 753 O GLN A 46 11.895 27.608 10.818 1.00 0.00 O ATOM 754 CB GLN A 46 14.737 28.437 9.749 1.00 0.00 C ATOM 755 CG GLN A 46 16.058 27.707 9.934 1.00 0.00 C ATOM 756 CD GLN A 46 16.304 26.667 8.860 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.448 25.479 9.152 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.356 27.108 7.609 1.00 0.00 N ATOM 0 H GLN A 46 14.454 28.121 7.316 1.00 0.00 H new ATOM 0 HA GLN A 46 13.805 26.523 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.894 29.296 9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.408 28.825 10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.873 28.431 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.068 27.224 10.911 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.231 28.101 7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.521 26.454 6.844 1.00 0.00 H new ATOM 767 N GLN A 47 11.553 28.793 8.936 1.00 0.00 N ATOM 768 CA GLN A 47 10.242 29.278 9.349 1.00 0.00 C ATOM 769 C GLN A 47 9.184 28.191 9.185 1.00 0.00 C ATOM 770 O GLN A 47 8.251 28.096 9.982 1.00 0.00 O ATOM 771 CB GLN A 47 9.851 30.513 8.535 1.00 0.00 C ATOM 772 CG GLN A 47 10.668 31.749 8.876 1.00 0.00 C ATOM 773 CD GLN A 47 12.065 31.410 9.358 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.937 31.033 8.430 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.358 31.487 10.552 1.00 0.00 N flip ATOM 0 H GLN A 47 11.853 29.119 8.017 1.00 0.00 H new ATOM 0 HA GLN A 47 10.299 29.550 10.403 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.968 30.291 7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.795 30.728 8.701 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.737 32.389 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.151 32.321 9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.656 31.781 11.231 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.302 31.257 10.861 1.00 0.00 H new ATOM 784 N GLU A 48 9.336 27.375 8.147 1.00 0.00 N ATOM 785 CA GLU A 48 8.393 26.296 7.879 1.00 0.00 C ATOM 786 C GLU A 48 9.127 25.001 7.544 1.00 0.00 C ATOM 787 O GLU A 48 9.429 24.730 6.382 1.00 0.00 O ATOM 788 CB GLU A 48 7.460 26.679 6.727 1.00 0.00 C ATOM 789 CG GLU A 48 6.306 27.572 7.150 1.00 0.00 C ATOM 790 CD GLU A 48 5.493 28.071 5.971 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.098 28.604 5.017 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.253 27.929 6.002 1.00 0.00 O ATOM 0 H GLU A 48 10.103 27.441 7.478 1.00 0.00 H new ATOM 0 HA GLU A 48 7.801 26.134 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.038 27.188 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.059 25.770 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.655 27.021 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.696 28.425 7.705 1.00 0.00 H new ATOM 799 N GLN A 49 9.411 24.207 8.571 1.00 0.00 N ATOM 800 CA GLN A 49 10.111 22.941 8.386 1.00 0.00 C ATOM 801 C GLN A 49 9.417 22.083 7.334 1.00 0.00 C ATOM 802 O GLN A 49 10.022 21.180 6.756 1.00 0.00 O ATOM 803 CB GLN A 49 10.191 22.180 9.711 1.00 0.00 C ATOM 804 CG GLN A 49 11.132 22.815 10.722 1.00 0.00 C ATOM 805 CD GLN A 49 10.414 23.732 11.692 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.288 23.456 12.108 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.063 24.831 12.059 1.00 0.00 N ATOM 0 H GLN A 49 9.168 24.417 9.539 1.00 0.00 H new ATOM 0 HA GLN A 49 11.121 23.161 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.193 22.118 10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.518 21.159 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.643 22.030 11.280 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.899 23.381 10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.995 25.020 11.690 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.630 25.486 12.710 1.00 0.00 H new ATOM 816 N HIS A 50 8.142 22.371 7.090 1.00 0.00 N ATOM 817 CA HIS A 50 7.364 21.626 6.107 1.00 0.00 C ATOM 818 C HIS A 50 7.500 22.249 4.721 1.00 0.00 C ATOM 819 O HIS A 50 6.658 22.037 3.850 1.00 0.00 O ATOM 820 CB HIS A 50 5.892 21.581 6.517 1.00 0.00 C ATOM 821 CG HIS A 50 5.335 22.919 6.895 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.620 23.137 8.053 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.393 24.113 6.260 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.260 24.407 8.114 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.717 25.021 7.038 1.00 0.00 N ATOM 0 H HIS A 50 7.626 23.115 7.560 1.00 0.00 H new ATOM 0 HA HIS A 50 7.753 20.609 6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.306 21.172 5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.778 20.898 7.359 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.880 24.314 5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.689 24.865 8.908 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.589 26.009 6.820 1.00 0.00 H new ATOM 833 N MET A 51 8.566 23.019 4.526 1.00 0.00 N ATOM 834 CA MET A 51 8.811 23.673 3.245 1.00 0.00 C ATOM 835 C MET A 51 10.283 23.574 2.858 1.00 0.00 C ATOM 836 O MET A 51 11.077 24.463 3.167 1.00 0.00 O ATOM 837 CB MET A 51 8.386 25.141 3.308 1.00 0.00 C ATOM 838 CG MET A 51 7.512 25.571 2.141 1.00 0.00 C ATOM 839 SD MET A 51 8.386 26.633 0.974 1.00 0.00 S ATOM 840 CE MET A 51 9.735 25.562 0.486 1.00 0.00 C ATOM 0 H MET A 51 9.273 23.205 5.237 1.00 0.00 H new ATOM 0 HA MET A 51 8.218 23.163 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.846 25.315 4.239 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.277 25.768 3.334 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.148 24.686 1.619 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.637 26.098 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.033 25.795 -0.536 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.582 25.716 1.154 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.413 24.522 0.543 1.00 0.00 H new ATOM 850 N VAL A 52 10.641 22.488 2.181 1.00 0.00 N ATOM 851 CA VAL A 52 12.018 22.274 1.751 1.00 0.00 C ATOM 852 C VAL A 52 12.387 23.209 0.605 1.00 0.00 C ATOM 853 O VAL A 52 11.515 23.739 -0.084 1.00 0.00 O ATOM 854 CB VAL A 52 12.246 20.818 1.304 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.630 20.657 0.693 1.00 0.00 C ATOM 856 CG2 VAL A 52 12.059 19.866 2.476 1.00 0.00 C ATOM 0 H VAL A 52 9.997 21.742 1.918 1.00 0.00 H new ATOM 0 HA VAL A 52 12.655 22.487 2.610 1.00 0.00 H new ATOM 0 HB VAL A 52 11.507 20.571 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.773 19.622 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.723 21.311 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.387 20.922 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.224 18.841 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.774 20.111 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.045 19.962 2.865 1.00 0.00 H new ATOM 866 N TYR A 53 13.685 23.407 0.405 1.00 0.00 N ATOM 867 CA TYR A 53 14.171 24.280 -0.657 1.00 0.00 C ATOM 868 C TYR A 53 15.300 23.613 -1.437 1.00 0.00 C ATOM 869 O TYR A 53 16.479 23.851 -1.170 1.00 0.00 O ATOM 870 CB TYR A 53 14.656 25.608 -0.072 1.00 0.00 C ATOM 871 CG TYR A 53 13.670 26.742 -0.246 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.164 27.062 -1.500 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.245 27.492 0.843 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.264 28.097 -1.664 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.344 28.528 0.689 1.00 0.00 C ATOM 876 CZ TYR A 53 11.857 28.827 -0.567 1.00 0.00 C ATOM 877 OH TYR A 53 10.960 29.858 -0.725 1.00 0.00 O ATOM 0 H TYR A 53 14.420 22.975 0.965 1.00 0.00 H new ATOM 0 HA TYR A 53 13.345 24.472 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 53 14.860 25.475 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.599 25.881 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.480 26.492 -2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.625 27.261 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.881 28.333 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.023 29.100 1.547 1.00 0.00 H new ATOM 0 HH TYR A 53 10.777 30.269 0.146 1.00 0.00 H new ATOM 887 N CYS A 54 14.930 22.778 -2.401 1.00 0.00 N ATOM 888 CA CYS A 54 15.911 22.075 -3.221 1.00 0.00 C ATOM 889 C CYS A 54 17.000 23.028 -3.702 1.00 0.00 C ATOM 890 O CYS A 54 18.185 22.696 -3.676 1.00 0.00 O ATOM 891 CB CYS A 54 15.226 21.417 -4.420 1.00 0.00 C ATOM 892 SG CYS A 54 15.703 22.117 -6.018 1.00 0.00 S ATOM 0 H CYS A 54 13.959 22.571 -2.634 1.00 0.00 H new ATOM 0 HA CYS A 54 16.375 21.302 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.458 20.352 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.146 21.508 -4.303 1.00 0.00 H new ATOM 0 HG CYS A 54 15.491 23.400 -6.011 1.00 0.00 H new ATOM 898 N GLY A 55 16.590 24.213 -4.143 1.00 0.00 N ATOM 899 CA GLY A 55 17.544 25.196 -4.626 1.00 0.00 C ATOM 900 C GLY A 55 18.420 24.655 -5.738 1.00 0.00 C ATOM 901 O GLY A 55 18.128 24.846 -6.917 1.00 0.00 O ATOM 0 H GLY A 55 15.615 24.511 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.007 26.074 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.173 25.524 -3.799 1.00 0.00 H new ATOM 905 N GLY A 56 19.501 23.978 -5.361 1.00 0.00 N ATOM 906 CA GLY A 56 20.408 23.420 -6.348 1.00 0.00 C ATOM 907 C GLY A 56 21.289 22.329 -5.773 1.00 0.00 C ATOM 908 O GLY A 56 22.383 22.074 -6.279 1.00 0.00 O ATOM 0 H GLY A 56 19.765 23.806 -4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.831 23.016 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.035 24.215 -6.751 1.00 0.00 H new ATOM 912 N ASP A 57 20.814 21.683 -4.714 1.00 0.00 N ATOM 913 CA ASP A 57 21.567 20.614 -4.069 1.00 0.00 C ATOM 914 C ASP A 57 21.309 19.277 -4.757 1.00 0.00 C ATOM 915 O ASP A 57 20.562 19.203 -5.733 1.00 0.00 O ATOM 916 CB ASP A 57 21.196 20.520 -2.589 1.00 0.00 C ATOM 917 CG ASP A 57 22.403 20.282 -1.703 1.00 0.00 C ATOM 918 OD1 ASP A 57 22.908 19.139 -1.682 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.843 21.237 -1.031 1.00 0.00 O ATOM 0 H ASP A 57 19.911 21.881 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 57 22.628 20.848 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.700 21.441 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.480 19.710 -2.448 1.00 0.00 H new ATOM 924 N LEU A 58 21.933 18.223 -4.243 1.00 0.00 N ATOM 925 CA LEU A 58 21.772 16.887 -4.808 1.00 0.00 C ATOM 926 C LEU A 58 20.300 16.580 -5.067 1.00 0.00 C ATOM 927 O LEU A 58 19.912 16.249 -6.188 1.00 0.00 O ATOM 928 CB LEU A 58 22.366 15.838 -3.866 1.00 0.00 C ATOM 929 CG LEU A 58 23.884 15.665 -3.926 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.300 14.369 -3.249 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.367 15.694 -5.369 1.00 0.00 C ATOM 0 H LEU A 58 22.555 18.267 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 58 22.304 16.854 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.090 16.099 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.902 14.877 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 58 24.347 16.495 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.384 14.263 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.987 14.387 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.828 13.527 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.450 15.570 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.896 14.884 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.102 16.649 -5.822 1.00 0.00 H new ATOM 943 N LEU A 59 19.485 16.693 -4.024 1.00 0.00 N ATOM 944 CA LEU A 59 18.055 16.429 -4.139 1.00 0.00 C ATOM 945 C LEU A 59 17.415 17.340 -5.182 1.00 0.00 C ATOM 946 O LEU A 59 16.509 16.931 -5.906 1.00 0.00 O ATOM 947 CB LEU A 59 17.370 16.624 -2.785 1.00 0.00 C ATOM 948 CG LEU A 59 16.808 18.020 -2.513 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.927 18.008 -1.273 1.00 0.00 C ATOM 950 CD2 LEU A 59 17.937 19.029 -2.357 1.00 0.00 C ATOM 0 H LEU A 59 19.790 16.966 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 59 17.926 15.395 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.555 15.904 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.086 16.383 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 59 16.197 18.317 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.536 19.010 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.098 17.316 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.515 17.690 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.518 20.017 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.574 18.736 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.528 19.058 -3.272 1.00 0.00 H new ATOM 962 N GLY A 60 17.896 18.578 -5.254 1.00 0.00 N ATOM 963 CA GLY A 60 17.360 19.527 -6.212 1.00 0.00 C ATOM 964 C GLY A 60 17.661 19.135 -7.645 1.00 0.00 C ATOM 965 O GLY A 60 16.778 19.165 -8.501 1.00 0.00 O ATOM 0 H GLY A 60 18.647 18.940 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.281 19.604 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.777 20.514 -6.013 1.00 0.00 H new ATOM 969 N GLU A 61 18.912 18.769 -7.907 1.00 0.00 N ATOM 970 CA GLU A 61 19.326 18.373 -9.248 1.00 0.00 C ATOM 971 C GLU A 61 18.600 17.106 -9.690 1.00 0.00 C ATOM 972 O GLU A 61 18.204 16.975 -10.849 1.00 0.00 O ATOM 973 CB GLU A 61 20.839 18.148 -9.293 1.00 0.00 C ATOM 974 CG GLU A 61 21.645 19.323 -8.762 1.00 0.00 C ATOM 975 CD GLU A 61 21.627 20.513 -9.701 1.00 0.00 C ATOM 976 OE1 GLU A 61 20.935 20.442 -10.738 1.00 0.00 O ATOM 977 OE2 GLU A 61 22.306 21.517 -9.397 1.00 0.00 O ATOM 0 H GLU A 61 19.655 18.739 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 61 19.065 19.179 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.083 17.259 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.138 17.949 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.247 19.623 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 61 22.676 19.008 -8.600 1.00 0.00 H new ATOM 984 N LEU A 62 18.429 16.174 -8.758 1.00 0.00 N ATOM 985 CA LEU A 62 17.750 14.916 -9.050 1.00 0.00 C ATOM 986 C LEU A 62 16.284 15.155 -9.394 1.00 0.00 C ATOM 987 O LEU A 62 15.788 14.677 -10.415 1.00 0.00 O ATOM 988 CB LEU A 62 17.858 13.966 -7.856 1.00 0.00 C ATOM 989 CG LEU A 62 16.939 12.744 -7.885 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.392 11.761 -8.953 1.00 0.00 C ATOM 991 CD2 LEU A 62 16.903 12.073 -6.520 1.00 0.00 C ATOM 0 H LEU A 62 18.751 16.266 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 62 18.236 14.461 -9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.889 13.619 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.649 14.531 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 62 15.931 13.076 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.726 10.898 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.366 12.246 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.409 11.433 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.244 11.205 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.908 11.754 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.531 12.779 -5.777 1.00 0.00 H new ATOM 1003 N LEU A 63 15.594 15.899 -8.536 1.00 0.00 N ATOM 1004 CA LEU A 63 14.184 16.204 -8.749 1.00 0.00 C ATOM 1005 C LEU A 63 13.975 16.910 -10.084 1.00 0.00 C ATOM 1006 O LEU A 63 13.173 16.475 -10.909 1.00 0.00 O ATOM 1007 CB LEU A 63 13.653 17.076 -7.609 1.00 0.00 C ATOM 1008 CG LEU A 63 12.604 16.430 -6.703 1.00 0.00 C ATOM 1009 CD1 LEU A 63 13.086 16.411 -5.260 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.277 17.167 -6.814 1.00 0.00 C ATOM 0 H LEU A 63 15.989 16.302 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 63 13.633 15.264 -8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.496 17.385 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.224 17.981 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 63 12.453 15.401 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.327 15.948 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.012 15.840 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.265 17.432 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.542 16.694 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.412 18.206 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.925 17.130 -7.845 1.00 0.00 H new ATOM 1022 N GLY A 64 14.705 18.002 -10.292 1.00 0.00 N ATOM 1023 CA GLY A 64 14.587 18.750 -11.530 1.00 0.00 C ATOM 1024 C GLY A 64 13.857 20.065 -11.345 1.00 0.00 C ATOM 1025 O GLY A 64 13.749 20.859 -12.280 1.00 0.00 O ATOM 0 H GLY A 64 15.376 18.382 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.582 18.944 -11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.059 18.145 -12.267 1.00 0.00 H new ATOM 1029 N ARG A 65 13.353 20.296 -10.138 1.00 0.00 N ATOM 1030 CA ARG A 65 12.626 21.523 -9.835 1.00 0.00 C ATOM 1031 C ARG A 65 13.532 22.533 -9.138 1.00 0.00 C ATOM 1032 O ARG A 65 14.756 22.446 -9.224 1.00 0.00 O ATOM 1033 CB ARG A 65 11.412 21.218 -8.955 1.00 0.00 C ATOM 1034 CG ARG A 65 10.623 19.999 -9.406 1.00 0.00 C ATOM 1035 CD ARG A 65 10.349 20.036 -10.901 1.00 0.00 C ATOM 1036 NE ARG A 65 9.964 18.726 -11.419 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.306 18.550 -12.560 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.962 19.597 -13.298 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.992 17.326 -12.964 1.00 0.00 N ATOM 0 H ARG A 65 13.435 19.650 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 65 12.285 21.955 -10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.747 21.064 -7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.752 22.085 -8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.177 19.093 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.679 19.954 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.556 20.755 -11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.239 20.386 -11.424 1.00 0.00 H new ATOM 0 HE ARG A 65 10.214 17.900 -10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.203 20.539 -12.990 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.457 19.460 -14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.256 16.519 -12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.487 17.192 -13.840 1.00 0.00 H new ATOM 1053 N GLN A 66 12.921 23.491 -8.448 1.00 0.00 N ATOM 1054 CA GLN A 66 13.673 24.519 -7.738 1.00 0.00 C ATOM 1055 C GLN A 66 13.478 24.392 -6.231 1.00 0.00 C ATOM 1056 O GLN A 66 14.425 24.539 -5.458 1.00 0.00 O ATOM 1057 CB GLN A 66 13.242 25.910 -8.204 1.00 0.00 C ATOM 1058 CG GLN A 66 13.398 26.126 -9.701 1.00 0.00 C ATOM 1059 CD GLN A 66 12.067 26.173 -10.426 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.629 25.181 -11.009 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.415 27.329 -10.392 1.00 0.00 N ATOM 0 H GLN A 66 11.908 23.577 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 66 14.731 24.380 -7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.199 26.069 -7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.829 26.660 -7.674 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.936 27.058 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.007 25.324 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.815 28.126 -9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.514 27.420 -10.861 1.00 0.00 H new ATOM 1070 N SER A 67 12.244 24.118 -5.819 1.00 0.00 N ATOM 1071 CA SER A 67 11.924 23.976 -4.404 1.00 0.00 C ATOM 1072 C SER A 67 10.659 23.144 -4.214 1.00 0.00 C ATOM 1073 O SER A 67 9.778 23.128 -5.074 1.00 0.00 O ATOM 1074 CB SER A 67 11.745 25.351 -3.759 1.00 0.00 C ATOM 1075 OG SER A 67 10.484 25.909 -4.087 1.00 0.00 O ATOM 0 H SER A 67 11.450 23.990 -6.446 1.00 0.00 H new ATOM 0 HA SER A 67 12.753 23.461 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.836 25.263 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.539 26.019 -4.093 1.00 0.00 H new ATOM 0 HG SER A 67 10.361 26.750 -3.599 1.00 0.00 H new ATOM 1081 N PHE A 68 10.576 22.454 -3.082 1.00 0.00 N ATOM 1082 CA PHE A 68 9.420 21.619 -2.778 1.00 0.00 C ATOM 1083 C PHE A 68 9.130 21.615 -1.280 1.00 0.00 C ATOM 1084 O PHE A 68 10.022 21.850 -0.464 1.00 0.00 O ATOM 1085 CB PHE A 68 9.655 20.189 -3.267 1.00 0.00 C ATOM 1086 CG PHE A 68 10.767 19.483 -2.545 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.584 19.011 -1.255 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.996 19.293 -3.156 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.605 18.361 -0.588 1.00 0.00 C ATOM 1090 CE2 PHE A 68 13.021 18.643 -2.494 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.825 18.178 -1.208 1.00 0.00 C ATOM 0 H PHE A 68 11.296 22.456 -2.359 1.00 0.00 H new ATOM 0 HA PHE A 68 8.556 22.036 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.735 19.617 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.881 20.211 -4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.632 19.153 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.155 19.657 -4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.449 17.997 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.974 18.499 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.625 17.672 -0.688 1.00 0.00 H new ATOM 1101 N SER A 69 7.878 21.347 -0.926 1.00 0.00 N ATOM 1102 CA SER A 69 7.468 21.317 0.474 1.00 0.00 C ATOM 1103 C SER A 69 7.303 19.880 0.960 1.00 0.00 C ATOM 1104 O SER A 69 6.863 19.006 0.213 1.00 0.00 O ATOM 1105 CB SER A 69 6.159 22.085 0.661 1.00 0.00 C ATOM 1106 OG SER A 69 5.698 22.616 -0.570 1.00 0.00 O ATOM 0 H SER A 69 7.129 21.147 -1.589 1.00 0.00 H new ATOM 0 HA SER A 69 8.248 21.795 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.402 21.423 1.081 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.307 22.894 1.377 1.00 0.00 H new ATOM 0 HG SER A 69 4.859 23.101 -0.423 1.00 0.00 H new ATOM 1112 N VAL A 70 7.659 19.643 2.219 1.00 0.00 N ATOM 1113 CA VAL A 70 7.549 18.314 2.807 1.00 0.00 C ATOM 1114 C VAL A 70 6.093 17.949 3.073 1.00 0.00 C ATOM 1115 O VAL A 70 5.715 16.779 3.017 1.00 0.00 O ATOM 1116 CB VAL A 70 8.340 18.216 4.125 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.449 19.257 4.161 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.409 18.376 5.318 1.00 0.00 C ATOM 0 H VAL A 70 8.026 20.355 2.851 1.00 0.00 H new ATOM 0 HA VAL A 70 7.970 17.614 2.086 1.00 0.00 H new ATOM 0 HB VAL A 70 8.799 17.229 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.997 19.173 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.131 19.091 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.015 20.254 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.985 18.304 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.920 19.349 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.654 17.590 5.299 1.00 0.00 H new ATOM 1128 N LYS A 71 5.279 18.958 3.361 1.00 0.00 N ATOM 1129 CA LYS A 71 3.863 18.746 3.634 1.00 0.00 C ATOM 1130 C LYS A 71 3.098 18.455 2.347 1.00 0.00 C ATOM 1131 O LYS A 71 1.925 18.083 2.381 1.00 0.00 O ATOM 1132 CB LYS A 71 3.266 19.972 4.328 1.00 0.00 C ATOM 1133 CG LYS A 71 3.544 21.277 3.603 1.00 0.00 C ATOM 1134 CD LYS A 71 2.471 22.314 3.889 1.00 0.00 C ATOM 1135 CE LYS A 71 2.936 23.327 4.924 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.884 24.337 5.224 1.00 0.00 N ATOM 0 H LYS A 71 5.576 19.932 3.411 1.00 0.00 H new ATOM 0 HA LYS A 71 3.772 17.883 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.188 19.839 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.665 20.036 5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.516 21.664 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.597 21.094 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.207 22.830 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.569 21.817 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.213 22.808 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.831 23.832 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.240 25.009 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.638 24.851 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.038 23.858 5.595 1.00 0.00 H new ATOM 1150 N ASP A 72 3.770 18.626 1.214 1.00 0.00 N ATOM 1151 CA ASP A 72 3.155 18.379 -0.085 1.00 0.00 C ATOM 1152 C ASP A 72 3.902 17.286 -0.842 1.00 0.00 C ATOM 1153 O ASP A 72 4.815 17.552 -1.624 1.00 0.00 O ATOM 1154 CB ASP A 72 3.129 19.665 -0.914 1.00 0.00 C ATOM 1155 CG ASP A 72 1.728 20.043 -1.353 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.081 19.227 -2.041 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.279 21.155 -1.006 1.00 0.00 O ATOM 0 H ASP A 72 4.741 18.935 1.169 1.00 0.00 H new ATOM 0 HA ASP A 72 2.132 18.044 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.555 20.480 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.761 19.540 -1.793 1.00 0.00 H new ATOM 1162 N PRO A 73 3.508 16.026 -0.605 1.00 0.00 N ATOM 1163 CA PRO A 73 4.128 14.867 -1.254 1.00 0.00 C ATOM 1164 C PRO A 73 3.802 14.793 -2.742 1.00 0.00 C ATOM 1165 O PRO A 73 3.317 13.773 -3.231 1.00 0.00 O ATOM 1166 CB PRO A 73 3.516 13.676 -0.513 1.00 0.00 C ATOM 1167 CG PRO A 73 2.213 14.180 0.004 1.00 0.00 C ATOM 1168 CD PRO A 73 2.426 15.636 0.314 1.00 0.00 C ATOM 0 HA PRO A 73 5.216 14.905 -1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.375 12.825 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.161 13.341 0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.423 14.050 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.908 13.632 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.522 16.220 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.709 15.788 1.356 1.00 0.00 H new ATOM 1176 N SER A 74 4.072 15.881 -3.457 1.00 0.00 N ATOM 1177 CA SER A 74 3.804 15.940 -4.890 1.00 0.00 C ATOM 1178 C SER A 74 5.065 15.631 -5.691 1.00 0.00 C ATOM 1179 O SER A 74 5.181 14.589 -6.337 1.00 0.00 O ATOM 1180 CB SER A 74 3.268 17.320 -5.273 1.00 0.00 C ATOM 1181 OG SER A 74 1.857 17.302 -5.402 1.00 0.00 O ATOM 0 H SER A 74 4.476 16.733 -3.068 1.00 0.00 H new ATOM 0 HA SER A 74 3.051 15.188 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.558 18.049 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.718 17.640 -6.213 1.00 0.00 H new ATOM 0 HG SER A 74 1.539 18.197 -5.646 1.00 0.00 H new ATOM 1187 N PRO A 75 6.034 16.557 -5.649 1.00 0.00 N ATOM 1188 CA PRO A 75 7.304 16.407 -6.365 1.00 0.00 C ATOM 1189 C PRO A 75 8.185 15.318 -5.762 1.00 0.00 C ATOM 1190 O PRO A 75 9.011 14.720 -6.452 1.00 0.00 O ATOM 1191 CB PRO A 75 7.965 17.779 -6.206 1.00 0.00 C ATOM 1192 CG PRO A 75 7.374 18.342 -4.960 1.00 0.00 C ATOM 1193 CD PRO A 75 5.964 17.823 -4.900 1.00 0.00 C ATOM 0 HA PRO A 75 7.154 16.108 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.048 17.690 -6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.761 18.419 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.942 18.031 -4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.388 19.432 -4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.638 17.664 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.260 18.520 -5.354 1.00 0.00 H new ATOM 1201 N LEU A 76 8.003 15.065 -4.470 1.00 0.00 N ATOM 1202 CA LEU A 76 8.781 14.047 -3.773 1.00 0.00 C ATOM 1203 C LEU A 76 8.559 12.672 -4.395 1.00 0.00 C ATOM 1204 O LEU A 76 9.508 12.009 -4.814 1.00 0.00 O ATOM 1205 CB LEU A 76 8.404 14.015 -2.291 1.00 0.00 C ATOM 1206 CG LEU A 76 9.138 12.983 -1.434 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.316 13.625 -0.717 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.185 12.346 -0.434 1.00 0.00 C ATOM 0 H LEU A 76 7.324 15.551 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 76 9.836 14.303 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.586 15.003 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.333 13.827 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 76 9.521 12.201 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.826 12.875 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.011 14.033 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.956 14.428 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.724 11.614 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.772 13.117 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.375 11.850 -0.969 1.00 0.00 H new ATOM 1220 N TYR A 77 7.301 12.251 -4.453 1.00 0.00 N ATOM 1221 CA TYR A 77 6.954 10.954 -5.024 1.00 0.00 C ATOM 1222 C TYR A 77 7.235 10.927 -6.523 1.00 0.00 C ATOM 1223 O TYR A 77 7.711 9.926 -7.059 1.00 0.00 O ATOM 1224 CB TYR A 77 5.481 10.636 -4.764 1.00 0.00 C ATOM 1225 CG TYR A 77 5.207 10.137 -3.363 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.495 8.826 -3.003 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.660 10.976 -2.400 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.246 8.366 -1.725 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.410 10.524 -1.118 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.704 9.218 -0.786 1.00 0.00 C ATOM 1231 OH TYR A 77 4.454 8.764 0.489 1.00 0.00 O ATOM 0 H TYR A 77 6.504 12.788 -4.112 1.00 0.00 H new ATOM 0 HA TYR A 77 7.572 10.196 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.887 11.532 -4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.148 9.884 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.921 8.156 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.426 11.998 -2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.475 7.344 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.987 11.190 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 77 4.073 9.490 1.026 1.00 0.00 H new ATOM 1241 N ASP A 78 6.936 12.033 -7.195 1.00 0.00 N ATOM 1242 CA ASP A 78 7.157 12.138 -8.632 1.00 0.00 C ATOM 1243 C ASP A 78 8.609 11.830 -8.983 1.00 0.00 C ATOM 1244 O ASP A 78 8.891 11.183 -9.991 1.00 0.00 O ATOM 1245 CB ASP A 78 6.787 13.538 -9.126 1.00 0.00 C ATOM 1246 CG ASP A 78 6.217 13.524 -10.531 1.00 0.00 C ATOM 1247 OD1 ASP A 78 7.011 13.586 -11.493 1.00 0.00 O ATOM 1248 OD2 ASP A 78 4.978 13.453 -10.669 1.00 0.00 O ATOM 0 H ASP A 78 6.540 12.870 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 78 6.519 11.406 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.059 13.979 -8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.672 14.174 -9.102 1.00 0.00 H new ATOM 1253 N MET A 79 9.528 12.298 -8.144 1.00 0.00 N ATOM 1254 CA MET A 79 10.951 12.071 -8.365 1.00 0.00 C ATOM 1255 C MET A 79 11.337 10.640 -8.005 1.00 0.00 C ATOM 1256 O MET A 79 11.979 9.942 -8.791 1.00 0.00 O ATOM 1257 CB MET A 79 11.781 13.058 -7.542 1.00 0.00 C ATOM 1258 CG MET A 79 12.967 12.417 -6.840 1.00 0.00 C ATOM 1259 SD MET A 79 13.942 13.606 -5.898 1.00 0.00 S ATOM 1260 CE MET A 79 13.254 13.386 -4.259 1.00 0.00 C ATOM 0 H MET A 79 9.312 12.837 -7.305 1.00 0.00 H new ATOM 0 HA MET A 79 11.157 12.228 -9.424 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.142 13.851 -8.197 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.139 13.528 -6.797 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.609 11.635 -6.170 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.605 11.935 -7.580 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.756 14.056 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.188 13.614 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.398 12.354 -3.939 1.00 0.00 H new ATOM 1270 N LEU A 80 10.941 10.208 -6.812 1.00 0.00 N ATOM 1271 CA LEU A 80 11.245 8.859 -6.347 1.00 0.00 C ATOM 1272 C LEU A 80 10.772 7.816 -7.355 1.00 0.00 C ATOM 1273 O LEU A 80 11.374 6.750 -7.488 1.00 0.00 O ATOM 1274 CB LEU A 80 10.589 8.607 -4.989 1.00 0.00 C ATOM 1275 CG LEU A 80 11.062 9.498 -3.839 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.186 9.296 -2.613 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.519 9.213 -3.508 1.00 0.00 C ATOM 0 H LEU A 80 10.409 10.772 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 80 12.327 8.772 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.512 8.732 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.762 7.567 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 80 10.978 10.538 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.537 9.938 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.155 9.551 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.237 8.254 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.838 9.856 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.628 8.169 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.136 9.410 -4.385 1.00 0.00 H new ATOM 1289 N ARG A 81 9.693 8.132 -8.063 1.00 0.00 N ATOM 1290 CA ARG A 81 9.140 7.222 -9.059 1.00 0.00 C ATOM 1291 C ARG A 81 10.252 6.476 -9.790 1.00 0.00 C ATOM 1292 O ARG A 81 10.271 5.245 -9.823 1.00 0.00 O ATOM 1293 CB ARG A 81 8.282 7.994 -10.064 1.00 0.00 C ATOM 1294 CG ARG A 81 7.146 7.172 -10.652 1.00 0.00 C ATOM 1295 CD ARG A 81 6.843 7.585 -12.084 1.00 0.00 C ATOM 1296 NE ARG A 81 5.462 8.031 -12.244 1.00 0.00 N ATOM 1297 CZ ARG A 81 5.026 9.226 -11.862 1.00 0.00 C ATOM 1298 NH1 ARG A 81 5.860 10.091 -11.301 1.00 0.00 N ATOM 1299 NH2 ARG A 81 3.754 9.559 -12.042 1.00 0.00 N ATOM 0 H ARG A 81 9.184 9.011 -7.966 1.00 0.00 H new ATOM 0 HA ARG A 81 8.516 6.493 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.866 8.874 -9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.918 8.351 -10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.409 6.114 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.252 7.294 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.520 8.386 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.032 6.744 -12.752 1.00 0.00 H new ATOM 0 HE ARG A 81 4.795 7.389 -12.673 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.839 9.839 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.523 11.008 -11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.110 8.897 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.421 10.477 -11.748 1.00 0.00 H new ATOM 1313 N LYS A 82 11.176 7.229 -10.377 1.00 0.00 N ATOM 1314 CA LYS A 82 12.293 6.640 -11.107 1.00 0.00 C ATOM 1315 C LYS A 82 13.592 6.780 -10.321 1.00 0.00 C ATOM 1316 O LYS A 82 14.646 6.320 -10.758 1.00 0.00 O ATOM 1317 CB LYS A 82 12.439 7.305 -12.478 1.00 0.00 C ATOM 1318 CG LYS A 82 13.480 8.410 -12.509 1.00 0.00 C ATOM 1319 CD LYS A 82 13.090 9.569 -11.607 1.00 0.00 C ATOM 1320 CE LYS A 82 11.780 10.202 -12.048 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.682 11.627 -11.625 1.00 0.00 N ATOM 0 H LYS A 82 11.174 8.249 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 82 12.086 5.579 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.704 6.546 -13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.475 7.717 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.444 8.011 -12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.601 8.768 -13.531 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.997 9.217 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.880 10.320 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.693 10.138 -13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.946 9.640 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.722 11.820 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.371 11.813 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.884 12.245 -12.437 1.00 0.00 H new ATOM 1335 N ASN A 83 13.508 7.417 -9.157 1.00 0.00 N ATOM 1336 CA ASN A 83 14.678 7.617 -8.309 1.00 0.00 C ATOM 1337 C ASN A 83 14.791 6.507 -7.267 1.00 0.00 C ATOM 1338 O ASN A 83 15.825 5.849 -7.155 1.00 0.00 O ATOM 1339 CB ASN A 83 14.604 8.978 -7.615 1.00 0.00 C ATOM 1340 CG ASN A 83 15.168 8.941 -6.207 1.00 0.00 C ATOM 1341 OD1 ASN A 83 14.544 9.683 -5.300 1.00 0.00 O flip ATOM 1342 ND2 ASN A 83 16.152 8.252 -5.939 1.00 0.00 N flip ATOM 0 H ASN A 83 12.643 7.803 -8.780 1.00 0.00 H new ATOM 0 HA ASN A 83 15.564 7.588 -8.943 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.152 9.713 -8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.566 9.308 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.600 7.697 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.519 8.236 -4.988 1.00 0.00 H new ATOM 1349 N LEU A 84 13.719 6.306 -6.508 1.00 0.00 N ATOM 1350 CA LEU A 84 13.696 5.276 -5.476 1.00 0.00 C ATOM 1351 C LEU A 84 13.583 3.886 -6.095 1.00 0.00 C ATOM 1352 O LEU A 84 12.486 3.419 -6.402 1.00 0.00 O ATOM 1353 CB LEU A 84 12.530 5.515 -4.515 1.00 0.00 C ATOM 1354 CG LEU A 84 12.646 4.853 -3.141 1.00 0.00 C ATOM 1355 CD1 LEU A 84 13.992 4.160 -2.994 1.00 0.00 C ATOM 1356 CD2 LEU A 84 12.450 5.881 -2.036 1.00 0.00 C ATOM 0 H LEU A 84 12.855 6.842 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 84 14.633 5.331 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.419 6.590 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.615 5.161 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 84 11.862 4.101 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.056 3.695 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.094 3.395 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.792 4.892 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.536 5.393 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.212 6.656 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.462 6.332 -2.129 1.00 0.00 H new ATOM 1368 N VAL A 85 14.725 3.229 -6.274 1.00 0.00 N ATOM 1369 CA VAL A 85 14.754 1.891 -6.853 1.00 0.00 C ATOM 1370 C VAL A 85 13.676 1.004 -6.241 1.00 0.00 C ATOM 1371 O VAL A 85 13.479 0.995 -5.025 1.00 0.00 O ATOM 1372 CB VAL A 85 16.128 1.223 -6.654 1.00 0.00 C ATOM 1373 CG1 VAL A 85 16.021 -0.283 -6.838 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.150 1.815 -7.613 1.00 0.00 C ATOM 0 H VAL A 85 15.642 3.602 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 85 14.564 2.004 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 85 16.464 1.417 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.001 -0.738 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.321 -0.690 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.664 -0.502 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.115 1.332 -7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.822 1.653 -8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.246 2.885 -7.428 1.00 0.00 H new ATOM 1499 N PHE B 119 10.752 18.528 12.352 1.00 0.00 N ATOM 1500 CA PHE B 119 10.584 17.863 11.065 1.00 0.00 C ATOM 1501 C PHE B 119 9.965 16.479 11.245 1.00 0.00 C ATOM 1502 O PHE B 119 9.119 16.059 10.455 1.00 0.00 O ATOM 1503 CB PHE B 119 11.931 17.742 10.350 1.00 0.00 C ATOM 1504 CG PHE B 119 11.809 17.626 8.858 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.567 17.495 8.259 1.00 0.00 C ATOM 1506 CD2 PHE B 119 12.937 17.647 8.054 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.451 17.389 6.886 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.828 17.542 6.680 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.583 17.411 6.095 1.00 0.00 C ATOM 0 HA PHE B 119 9.911 18.467 10.457 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.540 18.613 10.590 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.459 16.869 10.732 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.678 17.475 8.872 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.913 17.747 8.506 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.476 17.289 6.432 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.715 17.562 6.064 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.495 17.326 5.022 1.00 0.00 H new ATOM 1519 N SER B 120 10.393 15.777 12.289 1.00 0.00 N ATOM 1520 CA SER B 120 9.885 14.440 12.571 1.00 0.00 C ATOM 1521 C SER B 120 8.379 14.471 12.818 1.00 0.00 C ATOM 1522 O SER B 120 7.702 13.447 12.727 1.00 0.00 O ATOM 1523 CB SER B 120 10.600 13.844 13.785 1.00 0.00 C ATOM 1524 OG SER B 120 10.809 12.452 13.622 1.00 0.00 O ATOM 0 H SER B 120 11.090 16.112 12.954 1.00 0.00 H new ATOM 0 HA SER B 120 10.080 13.814 11.700 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.558 14.344 13.928 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.009 14.023 14.683 1.00 0.00 H new ATOM 0 HG SER B 120 11.269 12.096 14.411 1.00 0.00 H new ATOM 1530 N ASP B 121 7.863 15.654 13.132 1.00 0.00 N ATOM 1531 CA ASP B 121 6.438 15.822 13.392 1.00 0.00 C ATOM 1532 C ASP B 121 5.638 15.757 12.095 1.00 0.00 C ATOM 1533 O ASP B 121 4.715 14.952 11.961 1.00 0.00 O ATOM 1534 CB ASP B 121 6.180 17.153 14.100 1.00 0.00 C ATOM 1535 CG ASP B 121 4.805 17.212 14.737 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.335 16.166 15.231 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.200 18.305 14.742 1.00 0.00 O ATOM 0 H ASP B 121 8.410 16.511 13.213 1.00 0.00 H new ATOM 0 HA ASP B 121 6.113 15.007 14.039 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.939 17.307 14.867 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.281 17.968 13.383 1.00 0.00 H new ATOM 1542 N LEU B 122 5.995 16.612 11.142 1.00 0.00 N ATOM 1543 CA LEU B 122 5.310 16.653 9.855 1.00 0.00 C ATOM 1544 C LEU B 122 5.871 15.600 8.905 1.00 0.00 C ATOM 1545 O LEU B 122 5.121 14.864 8.265 1.00 0.00 O ATOM 1546 CB LEU B 122 5.441 18.043 9.230 1.00 0.00 C ATOM 1547 CG LEU B 122 4.133 18.795 8.985 1.00 0.00 C ATOM 1548 CD1 LEU B 122 4.219 20.210 9.538 1.00 0.00 C ATOM 1549 CD2 LEU B 122 3.802 18.820 7.500 1.00 0.00 C ATOM 0 H LEU B 122 6.755 17.286 11.237 1.00 0.00 H new ATOM 0 HA LEU B 122 4.256 16.436 10.025 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.071 18.653 9.878 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.963 17.944 8.278 1.00 0.00 H new ATOM 0 HG LEU B 122 3.332 18.271 9.506 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.279 20.730 9.354 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.408 20.171 10.611 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.031 20.744 9.046 1.00 0.00 H new ATOM 0 HD21 LEU B 122 2.868 19.359 7.345 1.00 0.00 H new ATOM 0 HD22 LEU B 122 4.604 19.320 6.957 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.697 17.799 7.133 1.00 0.00 H new ATOM 1561 N TRP B 123 7.195 15.534 8.820 1.00 0.00 N ATOM 1562 CA TRP B 123 7.857 14.569 7.950 1.00 0.00 C ATOM 1563 C TRP B 123 7.110 13.240 7.942 1.00 0.00 C ATOM 1564 O TRP B 123 6.677 12.765 6.891 1.00 0.00 O ATOM 1565 CB TRP B 123 9.303 14.352 8.401 1.00 0.00 C ATOM 1566 CG TRP B 123 10.115 13.551 7.428 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.806 12.403 7.688 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.321 13.841 6.041 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.430 11.961 6.547 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.147 12.825 5.522 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.886 14.857 5.187 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.546 12.799 4.188 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.283 14.831 3.864 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.106 13.807 3.375 1.00 0.00 C ATOM 0 H TRP B 123 7.831 16.137 9.343 1.00 0.00 H new ATOM 0 HA TRP B 123 7.856 14.971 6.937 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.779 15.321 8.549 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.303 13.846 9.366 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.855 11.914 8.650 1.00 0.00 H new ATOM 0 HE1 TRP B 123 12.010 11.125 6.475 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.250 15.649 5.554 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.180 12.011 3.809 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.954 15.613 3.195 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.399 13.814 2.335 1.00 0.00 H new ATOM 1585 N LYS B 124 6.961 12.643 9.119 1.00 0.00 N ATOM 1586 CA LYS B 124 6.264 11.369 9.249 1.00 0.00 C ATOM 1587 C LYS B 124 4.898 11.424 8.572 1.00 0.00 C ATOM 1588 O LYS B 124 4.492 10.481 7.892 1.00 0.00 O ATOM 1589 CB LYS B 124 6.098 11.002 10.725 1.00 0.00 C ATOM 1590 CG LYS B 124 6.450 9.558 11.037 1.00 0.00 C ATOM 1591 CD LYS B 124 6.443 9.293 12.533 1.00 0.00 C ATOM 1592 CE LYS B 124 5.423 8.228 12.905 1.00 0.00 C ATOM 1593 NZ LYS B 124 4.759 8.525 14.205 1.00 0.00 N ATOM 0 H LYS B 124 7.314 13.021 9.998 1.00 0.00 H new ATOM 0 HA LYS B 124 6.864 10.604 8.756 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.727 11.658 11.327 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.066 11.188 11.023 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.738 8.895 10.546 1.00 0.00 H new ATOM 0 HG3 LYS B 124 7.434 9.326 10.630 1.00 0.00 H new ATOM 0 HD2 LYS B 124 7.436 8.975 12.852 1.00 0.00 H new ATOM 0 HD3 LYS B 124 6.217 10.217 13.066 1.00 0.00 H new ATOM 0 HE2 LYS B 124 4.670 8.157 12.120 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.916 7.258 12.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.071 7.776 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 5.475 8.568 14.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.267 9.439 14.143 1.00 0.00 H new ATOM 1607 N LEU B 125 4.194 12.535 8.760 1.00 0.00 N ATOM 1608 CA LEU B 125 2.874 12.714 8.166 1.00 0.00 C ATOM 1609 C LEU B 125 2.864 12.252 6.712 1.00 0.00 C ATOM 1610 O LEU B 125 1.846 11.779 6.206 1.00 0.00 O ATOM 1611 CB LEU B 125 2.450 14.181 8.249 1.00 0.00 C ATOM 1612 CG LEU B 125 0.945 14.449 8.201 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.318 14.218 9.567 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.671 15.866 7.719 1.00 0.00 C ATOM 0 H LEU B 125 4.515 13.325 9.319 1.00 0.00 H new ATOM 0 HA LEU B 125 2.165 12.105 8.727 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.844 14.600 9.175 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.921 14.722 7.428 1.00 0.00 H new ATOM 0 HG LEU B 125 0.494 13.753 7.494 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.753 14.414 9.514 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.483 13.185 9.873 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.774 14.890 10.295 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.405 16.039 7.691 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.136 16.578 8.401 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.086 15.997 6.719 1.00 0.00 H new ATOM 1626 N LEU B 126 4.005 12.391 6.045 1.00 0.00 N ATOM 1627 CA LEU B 126 4.129 11.986 4.649 1.00 0.00 C ATOM 1628 C LEU B 126 3.345 10.705 4.382 1.00 0.00 C ATOM 1629 O LEU B 126 3.548 9.677 5.029 1.00 0.00 O ATOM 1630 CB LEU B 126 5.601 11.782 4.285 1.00 0.00 C ATOM 1631 CG LEU B 126 6.374 13.040 3.888 1.00 0.00 C ATOM 1632 CD1 LEU B 126 7.747 13.051 4.544 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.504 13.131 2.375 1.00 0.00 C ATOM 0 H LEU B 126 4.857 12.781 6.448 1.00 0.00 H new ATOM 0 HA LEU B 126 3.714 12.780 4.028 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.105 11.323 5.136 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.656 11.071 3.461 1.00 0.00 H new ATOM 0 HG LEU B 126 5.819 13.910 4.238 1.00 0.00 H new ATOM 0 HD11 LEU B 126 8.283 13.953 4.250 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.633 13.033 5.628 1.00 0.00 H new ATOM 0 HD13 LEU B 126 8.310 12.174 4.224 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.057 14.032 2.111 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.037 12.256 2.002 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.511 13.170 1.926 1.00 0.00 H new