USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 79 GLN :FLIP amide:sc= -0.243 F(o=-1,f=-0.25) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -157:sc=-0.00279 (180deg=-0.102) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.969 F(o=-2.7,f=-0.97) USER MOD Single : A 80 ASN : amide:sc= -1.64 X(o=-1.6,f=-2.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.82) USER MOD Single : A 98 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.0776 K(o=0.078,f=-3.2!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.59 USER MOD Single : A 108 LYS NZ :NH3+ -129:sc= -0.124 (180deg=-2.16!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 64:sc= 1.26 USER MOD Single : A 119 CYS SG : rot -130:sc= -0.191 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0495 X(o=-0.049,f=-0.55) USER MOD Single : A 130 LYS NZ :NH3+ -112:sc= -1.5 (180deg=-4.93!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 2.670 -7.333 -7.094 1.00 0.00 N ATOM 2 CA LYS A 60 3.324 -7.844 -8.293 1.00 0.00 C ATOM 3 C LYS A 60 3.786 -6.700 -9.189 1.00 0.00 C ATOM 4 O LYS A 60 4.983 -6.437 -9.308 1.00 0.00 O ATOM 5 CB LYS A 60 2.373 -8.760 -9.066 1.00 0.00 C ATOM 6 CG LYS A 60 2.358 -10.191 -8.556 1.00 0.00 C ATOM 7 CD LYS A 60 3.591 -10.956 -9.004 1.00 0.00 C ATOM 8 CE LYS A 60 3.321 -12.451 -9.083 1.00 0.00 C ATOM 9 NZ LYS A 60 3.451 -13.110 -7.754 1.00 0.00 N ATOM 0 HA LYS A 60 4.199 -8.416 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.364 -8.352 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.658 -8.761 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.305 -10.190 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.463 -10.698 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.912 -10.591 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.409 -10.769 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.318 -12.618 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.018 -12.909 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.259 -14.128 -7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.416 -12.972 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.769 -12.691 -7.090 1.00 0.00 H new ATOM 23 N GLU A 61 2.830 -6.023 -9.818 1.00 0.00 N ATOM 24 CA GLU A 61 3.141 -4.907 -10.703 1.00 0.00 C ATOM 25 C GLU A 61 3.065 -3.580 -9.953 1.00 0.00 C ATOM 26 O GLU A 61 2.518 -2.598 -10.457 1.00 0.00 O ATOM 27 CB GLU A 61 2.180 -4.888 -11.893 1.00 0.00 C ATOM 28 CG GLU A 61 2.299 -6.108 -12.791 1.00 0.00 C ATOM 29 CD GLU A 61 3.369 -5.949 -13.853 1.00 0.00 C ATOM 30 OE1 GLU A 61 4.184 -5.009 -13.739 1.00 0.00 O ATOM 31 OE2 GLU A 61 3.392 -6.764 -14.799 1.00 0.00 O ATOM 0 H GLU A 61 1.835 -6.228 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 61 4.159 -5.040 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.157 -4.819 -11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.366 -3.992 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.525 -6.983 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.339 -6.295 -13.273 1.00 0.00 H new ATOM 38 N THR A 62 3.618 -3.557 -8.744 1.00 0.00 N ATOM 39 CA THR A 62 3.612 -2.353 -7.923 1.00 0.00 C ATOM 40 C THR A 62 4.926 -2.197 -7.166 1.00 0.00 C ATOM 41 O THR A 62 5.012 -2.515 -5.980 1.00 0.00 O ATOM 42 CB THR A 62 2.450 -2.368 -6.913 1.00 0.00 C ATOM 43 OG1 THR A 62 1.244 -2.789 -7.560 1.00 0.00 O ATOM 44 CG2 THR A 62 2.248 -0.990 -6.301 1.00 0.00 C ATOM 0 H THR A 62 4.076 -4.359 -8.312 1.00 0.00 H new ATOM 0 HA THR A 62 3.484 -1.509 -8.601 1.00 0.00 H new ATOM 0 HB THR A 62 2.699 -3.070 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.510 -2.797 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.422 -1.025 -5.591 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.158 -0.684 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.019 -0.272 -7.089 1.00 0.00 H new ATOM 52 N VAL A 63 5.949 -1.706 -7.860 1.00 0.00 N ATOM 53 CA VAL A 63 7.259 -1.506 -7.252 1.00 0.00 C ATOM 54 C VAL A 63 7.590 -0.022 -7.135 1.00 0.00 C ATOM 55 O VAL A 63 7.069 0.815 -7.872 1.00 0.00 O ATOM 56 CB VAL A 63 8.366 -2.206 -8.062 1.00 0.00 C ATOM 57 CG1 VAL A 63 8.339 -3.707 -7.818 1.00 0.00 C ATOM 58 CG2 VAL A 63 8.218 -1.896 -9.544 1.00 0.00 C ATOM 0 H VAL A 63 5.895 -1.440 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 63 7.216 -1.945 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 63 9.332 -1.826 -7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.128 -4.184 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.497 -3.906 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.372 -4.108 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.008 -2.399 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.247 -2.247 -9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.292 -0.820 -9.700 1.00 0.00 H new ATOM 68 N PRO A 64 8.477 0.313 -6.187 1.00 0.00 N ATOM 69 CA PRO A 64 8.899 1.697 -5.952 1.00 0.00 C ATOM 70 C PRO A 64 9.759 2.242 -7.087 1.00 0.00 C ATOM 71 O PRO A 64 9.883 1.617 -8.141 1.00 0.00 O ATOM 72 CB PRO A 64 9.716 1.604 -4.660 1.00 0.00 C ATOM 73 CG PRO A 64 10.210 0.199 -4.625 1.00 0.00 C ATOM 74 CD PRO A 64 9.138 -0.633 -5.272 1.00 0.00 C ATOM 0 HA PRO A 64 8.049 2.377 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.543 2.314 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.104 1.830 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.154 0.104 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.391 -0.126 -3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.559 -1.484 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.441 -1.033 -4.536 1.00 0.00 H new ATOM 82 N TYR A 65 10.350 3.411 -6.867 1.00 0.00 N ATOM 83 CA TYR A 65 11.197 4.041 -7.873 1.00 0.00 C ATOM 84 C TYR A 65 12.633 4.167 -7.375 1.00 0.00 C ATOM 85 O TYR A 65 13.561 4.345 -8.163 1.00 0.00 O ATOM 86 CB TYR A 65 10.649 5.422 -8.238 1.00 0.00 C ATOM 87 CG TYR A 65 11.521 6.180 -9.214 1.00 0.00 C ATOM 88 CD1 TYR A 65 11.689 5.733 -10.518 1.00 0.00 C ATOM 89 CD2 TYR A 65 12.175 7.344 -8.830 1.00 0.00 C ATOM 90 CE1 TYR A 65 12.485 6.423 -11.412 1.00 0.00 C ATOM 91 CE2 TYR A 65 12.972 8.041 -9.718 1.00 0.00 C ATOM 92 CZ TYR A 65 13.124 7.576 -11.007 1.00 0.00 C ATOM 93 OH TYR A 65 13.917 8.267 -11.895 1.00 0.00 O ATOM 0 H TYR A 65 10.258 3.942 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 65 11.194 3.409 -8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.653 5.307 -8.666 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.538 6.012 -7.328 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.189 4.831 -10.839 1.00 0.00 H new ATOM 0 HD2 TYR A 65 12.059 7.710 -7.821 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.606 6.061 -12.422 1.00 0.00 H new ATOM 0 HE2 TYR A 65 13.473 8.945 -9.404 1.00 0.00 H new ATOM 0 HH TYR A 65 14.293 9.056 -11.452 1.00 0.00 H new ATOM 103 N GLN A 66 12.807 4.072 -6.060 1.00 0.00 N ATOM 104 CA GLN A 66 14.130 4.176 -5.456 1.00 0.00 C ATOM 105 C GLN A 66 14.740 2.794 -5.241 1.00 0.00 C ATOM 106 O GLN A 66 15.581 2.607 -4.361 1.00 0.00 O ATOM 107 CB GLN A 66 14.049 4.923 -4.124 1.00 0.00 C ATOM 108 CG GLN A 66 13.244 4.190 -3.063 1.00 0.00 C ATOM 109 CD GLN A 66 13.518 4.705 -1.664 1.00 0.00 C ATOM 110 OE1 GLN A 66 12.769 5.526 -1.134 1.00 0.00 O ATOM 111 NE2 GLN A 66 14.596 4.224 -1.056 1.00 0.00 N ATOM 0 H GLN A 66 12.049 3.923 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 66 14.770 4.734 -6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.059 5.092 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.604 5.903 -4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.181 4.293 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.476 3.126 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.190 3.545 -1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.830 4.534 -0.113 1.00 0.00 H new ATOM 120 N ILE A 67 14.310 1.831 -6.049 1.00 0.00 N ATOM 121 CA ILE A 67 14.815 0.467 -5.947 1.00 0.00 C ATOM 122 C ILE A 67 15.287 -0.047 -7.302 1.00 0.00 C ATOM 123 O ILE A 67 14.588 0.053 -8.310 1.00 0.00 O ATOM 124 CB ILE A 67 13.742 -0.489 -5.393 1.00 0.00 C ATOM 125 CG1 ILE A 67 13.375 -0.103 -3.958 1.00 0.00 C ATOM 126 CG2 ILE A 67 14.235 -1.928 -5.450 1.00 0.00 C ATOM 127 CD1 ILE A 67 14.524 -0.235 -2.984 1.00 0.00 C ATOM 0 H ILE A 67 13.614 1.970 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 67 15.659 0.493 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 67 12.848 -0.406 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.017 0.926 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.550 -0.731 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.466 -2.592 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.452 -2.198 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.141 -2.026 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.191 0.055 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.868 -1.269 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.342 0.414 -3.296 1.00 0.00 H new ATOM 139 N PRO A 68 16.503 -0.613 -7.329 1.00 0.00 N ATOM 140 CA PRO A 68 17.345 -0.736 -6.136 1.00 0.00 C ATOM 141 C PRO A 68 17.875 0.611 -5.658 1.00 0.00 C ATOM 142 O PRO A 68 17.765 0.950 -4.479 1.00 0.00 O ATOM 143 CB PRO A 68 18.497 -1.628 -6.605 1.00 0.00 C ATOM 144 CG PRO A 68 18.565 -1.416 -8.078 1.00 0.00 C ATOM 145 CD PRO A 68 17.150 -1.175 -8.527 1.00 0.00 C ATOM 0 HA PRO A 68 16.792 -1.140 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.434 -1.351 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.311 -2.675 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.202 -0.565 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.990 -2.286 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.108 -0.483 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.668 -2.098 -8.849 1.00 0.00 H new ATOM 153 N TYR A 69 18.449 1.376 -6.580 1.00 0.00 N ATOM 154 CA TYR A 69 18.998 2.687 -6.252 1.00 0.00 C ATOM 155 C TYR A 69 18.659 3.706 -7.335 1.00 0.00 C ATOM 156 O TYR A 69 18.641 3.385 -8.524 1.00 0.00 O ATOM 157 CB TYR A 69 20.515 2.598 -6.076 1.00 0.00 C ATOM 158 CG TYR A 69 21.260 2.345 -7.367 1.00 0.00 C ATOM 159 CD1 TYR A 69 21.361 1.063 -7.894 1.00 0.00 C ATOM 160 CD2 TYR A 69 21.864 3.387 -8.060 1.00 0.00 C ATOM 161 CE1 TYR A 69 22.042 0.827 -9.073 1.00 0.00 C ATOM 162 CE2 TYR A 69 22.545 3.161 -9.240 1.00 0.00 C ATOM 163 CZ TYR A 69 22.631 1.879 -9.743 1.00 0.00 C ATOM 164 OH TYR A 69 23.310 1.649 -10.917 1.00 0.00 O ATOM 0 H TYR A 69 18.546 1.111 -7.560 1.00 0.00 H new ATOM 0 HA TYR A 69 18.549 3.017 -5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.876 3.526 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.744 1.799 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.899 0.237 -7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.800 4.392 -7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.113 -0.176 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.008 3.983 -9.766 1.00 0.00 H new ATOM 0 HH TYR A 69 23.664 2.495 -11.261 1.00 0.00 H new ATOM 174 N THR A 70 18.390 4.938 -6.915 1.00 0.00 N ATOM 175 CA THR A 70 18.051 6.006 -7.847 1.00 0.00 C ATOM 176 C THR A 70 19.210 6.982 -8.011 1.00 0.00 C ATOM 177 O THR A 70 20.046 7.145 -7.122 1.00 0.00 O ATOM 178 CB THR A 70 16.803 6.782 -7.383 1.00 0.00 C ATOM 179 OG1 THR A 70 16.547 6.515 -6.000 1.00 0.00 O ATOM 180 CG2 THR A 70 15.587 6.397 -8.212 1.00 0.00 C ATOM 0 H THR A 70 18.400 5.221 -5.935 1.00 0.00 H new ATOM 0 HA THR A 70 17.840 5.533 -8.806 1.00 0.00 H new ATOM 0 HB THR A 70 16.993 7.847 -7.518 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.754 7.013 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.719 6.958 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.774 6.628 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.396 5.329 -8.104 1.00 0.00 H new ATOM 188 N PRO A 71 19.264 7.649 -9.173 1.00 0.00 N ATOM 189 CA PRO A 71 20.316 8.622 -9.480 1.00 0.00 C ATOM 190 C PRO A 71 20.193 9.892 -8.645 1.00 0.00 C ATOM 191 O PRO A 71 21.196 10.502 -8.273 1.00 0.00 O ATOM 192 CB PRO A 71 20.092 8.933 -10.962 1.00 0.00 C ATOM 193 CG PRO A 71 18.649 8.645 -11.195 1.00 0.00 C ATOM 194 CD PRO A 71 18.301 7.505 -10.278 1.00 0.00 C ATOM 0 HA PRO A 71 21.309 8.231 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.330 9.972 -11.189 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.727 8.315 -11.597 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.037 9.520 -10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.467 8.378 -12.236 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.272 7.573 -9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.404 6.542 -10.778 1.00 0.00 H new ATOM 202 N SER A 72 18.957 10.285 -8.353 1.00 0.00 N ATOM 203 CA SER A 72 18.703 11.485 -7.564 1.00 0.00 C ATOM 204 C SER A 72 19.299 11.352 -6.166 1.00 0.00 C ATOM 205 O SER A 72 19.796 12.323 -5.597 1.00 0.00 O ATOM 206 CB SER A 72 17.199 11.748 -7.467 1.00 0.00 C ATOM 207 OG SER A 72 16.614 11.838 -8.754 1.00 0.00 O ATOM 0 H SER A 72 18.116 9.790 -8.651 1.00 0.00 H new ATOM 0 HA SER A 72 19.180 12.327 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.722 10.947 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.023 12.673 -6.918 1.00 0.00 H new ATOM 0 HG SER A 72 15.652 12.005 -8.665 1.00 0.00 H new ATOM 213 N GLU A 73 19.245 10.141 -5.619 1.00 0.00 N ATOM 214 CA GLU A 73 19.778 9.881 -4.287 1.00 0.00 C ATOM 215 C GLU A 73 21.297 10.018 -4.273 1.00 0.00 C ATOM 216 O GLU A 73 21.862 10.717 -3.430 1.00 0.00 O ATOM 217 CB GLU A 73 19.376 8.481 -3.817 1.00 0.00 C ATOM 218 CG GLU A 73 17.904 8.168 -4.027 1.00 0.00 C ATOM 219 CD GLU A 73 16.995 9.061 -3.205 1.00 0.00 C ATOM 220 OE1 GLU A 73 16.940 10.276 -3.490 1.00 0.00 O ATOM 221 OE2 GLU A 73 16.337 8.545 -2.277 1.00 0.00 O ATOM 0 H GLU A 73 18.838 9.326 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 73 19.358 10.620 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.975 7.742 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.613 8.381 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.659 8.281 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.717 7.126 -3.766 1.00 0.00 H new ATOM 228 N LEU A 74 21.954 9.345 -5.211 1.00 0.00 N ATOM 229 CA LEU A 74 23.409 9.389 -5.307 1.00 0.00 C ATOM 230 C LEU A 74 23.897 10.819 -5.521 1.00 0.00 C ATOM 231 O LEU A 74 24.767 11.302 -4.798 1.00 0.00 O ATOM 232 CB LEU A 74 23.892 8.497 -6.452 1.00 0.00 C ATOM 233 CG LEU A 74 23.365 7.061 -6.451 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.010 6.256 -7.569 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.616 6.402 -5.103 1.00 0.00 C ATOM 0 H LEU A 74 21.502 8.762 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 74 23.822 9.020 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.610 8.966 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 74 24.981 8.463 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 74 22.289 7.088 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.623 5.237 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 74 23.779 6.717 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.090 6.236 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.235 5.381 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.687 6.386 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.107 6.966 -4.322 1.00 0.00 H new ATOM 247 N GLU A 75 23.329 11.489 -6.519 1.00 0.00 N ATOM 248 CA GLU A 75 23.706 12.864 -6.827 1.00 0.00 C ATOM 249 C GLU A 75 23.436 13.781 -5.637 1.00 0.00 C ATOM 250 O GLU A 75 24.230 14.671 -5.334 1.00 0.00 O ATOM 251 CB GLU A 75 22.941 13.363 -8.054 1.00 0.00 C ATOM 252 CG GLU A 75 23.187 12.534 -9.303 1.00 0.00 C ATOM 253 CD GLU A 75 24.478 12.907 -10.007 1.00 0.00 C ATOM 254 OE1 GLU A 75 24.788 14.114 -10.077 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.178 11.990 -10.486 1.00 0.00 O ATOM 0 H GLU A 75 22.607 11.103 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 75 24.774 12.882 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.874 13.362 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.224 14.397 -8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.217 11.478 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.352 12.664 -9.991 1.00 0.00 H new ATOM 262 N GLU A 76 22.309 13.557 -4.968 1.00 0.00 N ATOM 263 CA GLU A 76 21.934 14.364 -3.814 1.00 0.00 C ATOM 264 C GLU A 76 22.881 14.114 -2.644 1.00 0.00 C ATOM 265 O GLU A 76 23.190 15.025 -1.875 1.00 0.00 O ATOM 266 CB GLU A 76 20.495 14.055 -3.394 1.00 0.00 C ATOM 267 CG GLU A 76 19.986 14.941 -2.269 1.00 0.00 C ATOM 268 CD GLU A 76 20.160 16.418 -2.565 1.00 0.00 C ATOM 269 OE1 GLU A 76 21.235 16.964 -2.240 1.00 0.00 O ATOM 270 OE2 GLU A 76 19.223 17.027 -3.122 1.00 0.00 O ATOM 0 H GLU A 76 21.641 12.824 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 76 22.005 15.414 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.841 14.168 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.433 13.013 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.931 14.731 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.516 14.694 -1.349 1.00 0.00 H new ATOM 277 N LEU A 77 23.338 12.873 -2.515 1.00 0.00 N ATOM 278 CA LEU A 77 24.250 12.502 -1.439 1.00 0.00 C ATOM 279 C LEU A 77 25.602 13.188 -1.610 1.00 0.00 C ATOM 280 O LEU A 77 26.104 13.828 -0.687 1.00 0.00 O ATOM 281 CB LEU A 77 24.437 10.984 -1.403 1.00 0.00 C ATOM 282 CG LEU A 77 24.586 10.359 -0.016 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.615 11.120 0.805 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.245 10.329 0.703 1.00 0.00 C ATOM 0 H LEU A 77 23.092 12.107 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 77 23.813 12.831 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.584 10.521 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.321 10.733 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 77 24.934 9.333 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.707 10.660 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.580 11.089 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.297 12.156 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.371 9.881 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.868 11.346 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.535 9.739 0.124 1.00 0.00 H new ATOM 296 N GLN A 78 26.184 13.051 -2.797 1.00 0.00 N ATOM 297 CA GLN A 78 27.476 13.659 -3.089 1.00 0.00 C ATOM 298 C GLN A 78 27.408 15.176 -2.947 1.00 0.00 C ATOM 299 O GLN A 78 28.271 15.788 -2.318 1.00 0.00 O ATOM 300 CB GLN A 78 27.932 13.287 -4.501 1.00 0.00 C ATOM 301 CG GLN A 78 26.908 13.612 -5.576 1.00 0.00 C ATOM 302 CD GLN A 78 27.307 13.086 -6.941 1.00 0.00 C ATOM 303 OE1 GLN A 78 27.685 11.814 -6.998 1.00 0.00 O flip ATOM 304 NE2 GLN A 78 27.276 13.815 -7.933 1.00 0.00 N flip ATOM 0 H GLN A 78 25.781 12.524 -3.572 1.00 0.00 H new ATOM 0 HA GLN A 78 28.200 13.277 -2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.860 13.813 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.154 12.220 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.944 13.187 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.776 14.693 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.979 14.787 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.547 13.447 -8.845 1.00 0.00 H new ATOM 313 N GLN A 79 26.378 15.775 -3.536 1.00 0.00 N ATOM 314 CA GLN A 79 26.200 17.221 -3.475 1.00 0.00 C ATOM 315 C GLN A 79 26.108 17.698 -2.030 1.00 0.00 C ATOM 316 O GLN A 79 26.761 18.667 -1.643 1.00 0.00 O ATOM 317 CB GLN A 79 24.941 17.633 -4.241 1.00 0.00 C ATOM 318 CG GLN A 79 25.148 17.730 -5.744 1.00 0.00 C ATOM 319 CD GLN A 79 26.104 18.842 -6.131 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.386 18.511 -6.237 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.695 19.986 -6.332 1.00 0.00 N flip ATOM 0 H GLN A 79 25.655 15.282 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 79 27.069 17.689 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.150 16.912 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.597 18.597 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.532 16.780 -6.116 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.186 17.897 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.701 20.196 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.350 20.724 -6.591 1.00 0.00 H new ATOM 330 N ASN A 80 25.294 17.011 -1.235 1.00 0.00 N ATOM 331 CA ASN A 80 25.116 17.366 0.168 1.00 0.00 C ATOM 332 C ASN A 80 26.418 17.187 0.943 1.00 0.00 C ATOM 333 O ASN A 80 26.685 17.911 1.903 1.00 0.00 O ATOM 334 CB ASN A 80 24.014 16.511 0.796 1.00 0.00 C ATOM 335 CG ASN A 80 22.626 17.028 0.472 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.420 18.232 0.315 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.664 16.117 0.369 1.00 0.00 N ATOM 0 H ASN A 80 24.747 16.205 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 80 24.825 18.415 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.108 15.484 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.147 16.489 1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.710 16.405 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.880 15.130 0.507 1.00 0.00 H new ATOM 344 N ILE A 81 27.224 16.219 0.520 1.00 0.00 N ATOM 345 CA ILE A 81 28.498 15.946 1.173 1.00 0.00 C ATOM 346 C ILE A 81 29.459 17.120 1.016 1.00 0.00 C ATOM 347 O ILE A 81 29.952 17.670 2.001 1.00 0.00 O ATOM 348 CB ILE A 81 29.160 14.676 0.608 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.487 13.426 1.180 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.649 14.671 0.919 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.814 12.161 0.418 1.00 0.00 C ATOM 0 H ILE A 81 27.017 15.611 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 81 28.284 15.794 2.231 1.00 0.00 H new ATOM 0 HB ILE A 81 29.035 14.670 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.791 13.303 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.407 13.572 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.102 13.767 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.118 15.546 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.795 14.697 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 81 28.303 11.316 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.485 12.264 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.890 11.990 0.441 1.00 0.00 H new ATOM 363 N LYS A 82 29.720 17.500 -0.230 1.00 0.00 N ATOM 364 CA LYS A 82 30.619 18.611 -0.519 1.00 0.00 C ATOM 365 C LYS A 82 29.994 19.939 -0.107 1.00 0.00 C ATOM 366 O LYS A 82 30.696 20.930 0.101 1.00 0.00 O ATOM 367 CB LYS A 82 30.965 18.639 -2.010 1.00 0.00 C ATOM 368 CG LYS A 82 29.750 18.563 -2.918 1.00 0.00 C ATOM 369 CD LYS A 82 29.909 17.481 -3.973 1.00 0.00 C ATOM 370 CE LYS A 82 31.045 17.801 -4.932 1.00 0.00 C ATOM 371 NZ LYS A 82 30.733 18.979 -5.788 1.00 0.00 N ATOM 0 H LYS A 82 29.321 17.055 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 82 31.532 18.466 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.515 19.554 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.630 17.805 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.860 18.362 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.597 19.527 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.100 16.524 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.979 17.376 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 82 31.955 17.995 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.242 16.935 -5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 31.306 18.940 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 29.724 18.968 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 30.950 19.853 -5.268 1.00 0.00 H new ATOM 385 N LEU A 83 28.671 19.953 0.012 1.00 0.00 N ATOM 386 CA LEU A 83 27.950 21.160 0.402 1.00 0.00 C ATOM 387 C LEU A 83 27.925 21.313 1.920 1.00 0.00 C ATOM 388 O LEU A 83 27.851 22.426 2.439 1.00 0.00 O ATOM 389 CB LEU A 83 26.521 21.123 -0.142 1.00 0.00 C ATOM 390 CG LEU A 83 26.351 21.511 -1.611 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.956 21.156 -2.099 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.625 22.995 -1.805 1.00 0.00 C ATOM 0 H LEU A 83 28.075 19.142 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 83 28.471 22.018 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.128 20.116 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.906 21.790 0.463 1.00 0.00 H new ATOM 0 HG LEU A 83 27.074 20.948 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.854 21.440 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.797 20.083 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.215 21.691 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.499 23.254 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.927 23.576 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.646 23.220 -1.495 1.00 0.00 H new ATOM 404 N GLU A 84 27.989 20.187 2.624 1.00 0.00 N ATOM 405 CA GLU A 84 27.976 20.197 4.082 1.00 0.00 C ATOM 406 C GLU A 84 29.355 19.863 4.642 1.00 0.00 C ATOM 407 O GLU A 84 30.071 20.741 5.126 1.00 0.00 O ATOM 408 CB GLU A 84 26.943 19.200 4.611 1.00 0.00 C ATOM 409 CG GLU A 84 25.505 19.648 4.410 1.00 0.00 C ATOM 410 CD GLU A 84 24.623 19.329 5.601 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.991 18.432 6.388 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.564 19.975 5.747 1.00 0.00 O ATOM 0 H GLU A 84 28.050 19.257 2.209 1.00 0.00 H new ATOM 0 HA GLU A 84 27.704 21.200 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.089 18.241 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.119 19.038 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.485 20.722 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.099 19.164 3.522 1.00 0.00 H new ATOM 419 N LEU A 85 29.722 18.588 4.572 1.00 0.00 N ATOM 420 CA LEU A 85 31.016 18.136 5.072 1.00 0.00 C ATOM 421 C LEU A 85 32.150 18.960 4.471 1.00 0.00 C ATOM 422 O LEU A 85 31.929 19.781 3.581 1.00 0.00 O ATOM 423 CB LEU A 85 31.220 16.655 4.749 1.00 0.00 C ATOM 424 CG LEU A 85 30.486 15.663 5.652 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.825 15.919 7.113 1.00 0.00 C ATOM 426 CD2 LEU A 85 28.983 15.751 5.429 1.00 0.00 C ATOM 0 H LEU A 85 29.142 17.849 4.174 1.00 0.00 H new ATOM 0 HA LEU A 85 31.027 18.271 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.904 16.481 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.287 16.437 4.796 1.00 0.00 H new ATOM 0 HG LEU A 85 30.814 14.656 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.294 15.204 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.899 15.806 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.526 16.932 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.476 15.038 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.640 16.760 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.755 15.518 4.389 1.00 0.00 H new ATOM 438 N GLU A 86 33.364 18.734 4.963 1.00 0.00 N ATOM 439 CA GLU A 86 34.533 19.455 4.472 1.00 0.00 C ATOM 440 C GLU A 86 35.814 18.893 5.082 1.00 0.00 C ATOM 441 O GLU A 86 35.782 17.920 5.834 1.00 0.00 O ATOM 442 CB GLU A 86 34.412 20.946 4.795 1.00 0.00 C ATOM 443 CG GLU A 86 34.290 21.238 6.281 1.00 0.00 C ATOM 444 CD GLU A 86 34.282 22.724 6.584 1.00 0.00 C ATOM 445 OE1 GLU A 86 34.651 23.513 5.689 1.00 0.00 O ATOM 446 OE2 GLU A 86 33.908 23.098 7.715 1.00 0.00 O ATOM 0 H GLU A 86 33.564 18.058 5.700 1.00 0.00 H new ATOM 0 HA GLU A 86 34.580 19.327 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.285 21.467 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.541 21.351 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 86 33.373 20.788 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 86 35.119 20.768 6.809 1.00 0.00 H new ATOM 453 N GLY A 87 36.942 19.515 4.751 1.00 0.00 N ATOM 454 CA GLY A 87 38.218 19.063 5.273 1.00 0.00 C ATOM 455 C GLY A 87 38.458 17.587 5.024 1.00 0.00 C ATOM 456 O GLY A 87 38.439 17.132 3.880 1.00 0.00 O ATOM 0 H GLY A 87 36.994 20.323 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.020 19.641 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.258 19.258 6.345 1.00 0.00 H new ATOM 460 N LYS A 88 38.685 16.837 6.096 1.00 0.00 N ATOM 461 CA LYS A 88 38.930 15.403 5.990 1.00 0.00 C ATOM 462 C LYS A 88 37.659 14.611 6.278 1.00 0.00 C ATOM 463 O LYS A 88 37.697 13.585 6.957 1.00 0.00 O ATOM 464 CB LYS A 88 40.038 14.981 6.957 1.00 0.00 C ATOM 465 CG LYS A 88 41.011 13.975 6.366 1.00 0.00 C ATOM 466 CD LYS A 88 41.435 12.940 7.394 1.00 0.00 C ATOM 467 CE LYS A 88 41.491 11.545 6.789 1.00 0.00 C ATOM 468 NZ LYS A 88 42.706 10.801 7.221 1.00 0.00 N ATOM 0 H LYS A 88 38.705 17.198 7.050 1.00 0.00 H new ATOM 0 HA LYS A 88 39.247 15.188 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.590 15.866 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.585 14.553 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 88 40.547 13.476 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.891 14.496 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 88 42.414 13.204 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 88 40.735 12.948 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 88 40.601 10.987 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 88 41.479 11.620 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 42.707 9.856 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.556 11.320 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 42.705 10.707 8.257 1.00 0.00 H new ATOM 482 N GLU A 89 36.535 15.094 5.758 1.00 0.00 N ATOM 483 CA GLU A 89 35.253 14.430 5.960 1.00 0.00 C ATOM 484 C GLU A 89 34.537 14.212 4.630 1.00 0.00 C ATOM 485 O GLU A 89 34.243 13.079 4.250 1.00 0.00 O ATOM 486 CB GLU A 89 34.369 15.253 6.899 1.00 0.00 C ATOM 487 CG GLU A 89 35.093 15.745 8.141 1.00 0.00 C ATOM 488 CD GLU A 89 34.183 16.510 9.083 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.471 15.860 9.877 1.00 0.00 O ATOM 490 OE2 GLU A 89 34.182 17.757 9.025 1.00 0.00 O ATOM 0 H GLU A 89 36.486 15.942 5.194 1.00 0.00 H new ATOM 0 HA GLU A 89 35.445 13.457 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 89 33.975 16.111 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.514 14.648 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.522 14.893 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 89 35.923 16.386 7.843 1.00 0.00 H new ATOM 497 N GLN A 90 34.258 15.306 3.929 1.00 0.00 N ATOM 498 CA GLN A 90 33.576 15.236 2.642 1.00 0.00 C ATOM 499 C GLN A 90 34.379 14.408 1.645 1.00 0.00 C ATOM 500 O GLN A 90 33.813 13.751 0.772 1.00 0.00 O ATOM 501 CB GLN A 90 33.343 16.642 2.087 1.00 0.00 C ATOM 502 CG GLN A 90 34.622 17.352 1.674 1.00 0.00 C ATOM 503 CD GLN A 90 34.359 18.603 0.859 1.00 0.00 C ATOM 504 OE1 GLN A 90 35.018 18.850 -0.151 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.390 19.400 1.294 1.00 0.00 N ATOM 0 H GLN A 90 34.494 16.251 4.231 1.00 0.00 H new ATOM 0 HA GLN A 90 32.612 14.750 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.678 16.578 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.832 17.241 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.190 17.617 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.241 16.668 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 90 32.869 19.156 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.167 20.256 0.786 1.00 0.00 H new ATOM 514 N GLU A 91 35.701 14.446 1.781 1.00 0.00 N ATOM 515 CA GLU A 91 36.582 13.699 0.890 1.00 0.00 C ATOM 516 C GLU A 91 36.330 12.199 1.008 1.00 0.00 C ATOM 517 O GLU A 91 36.327 11.478 0.009 1.00 0.00 O ATOM 518 CB GLU A 91 38.046 14.009 1.207 1.00 0.00 C ATOM 519 CG GLU A 91 38.354 14.038 2.694 1.00 0.00 C ATOM 520 CD GLU A 91 39.823 13.806 2.991 1.00 0.00 C ATOM 521 OE1 GLU A 91 40.225 12.629 3.109 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.570 14.800 3.105 1.00 0.00 O ATOM 0 H GLU A 91 36.185 14.985 2.499 1.00 0.00 H new ATOM 0 HA GLU A 91 36.367 14.006 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.679 13.262 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.307 14.974 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 91 38.052 15.001 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 91 37.760 13.276 3.199 1.00 0.00 H new ATOM 529 N LEU A 92 36.122 11.735 2.235 1.00 0.00 N ATOM 530 CA LEU A 92 35.870 10.320 2.486 1.00 0.00 C ATOM 531 C LEU A 92 34.510 9.903 1.935 1.00 0.00 C ATOM 532 O LEU A 92 34.409 8.955 1.157 1.00 0.00 O ATOM 533 CB LEU A 92 35.937 10.028 3.986 1.00 0.00 C ATOM 534 CG LEU A 92 37.335 9.803 4.564 1.00 0.00 C ATOM 535 CD1 LEU A 92 38.026 8.649 3.855 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.167 11.073 4.457 1.00 0.00 C ATOM 0 H LEU A 92 36.123 12.318 3.072 1.00 0.00 H new ATOM 0 HA LEU A 92 36.641 9.743 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.475 10.859 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.334 9.143 4.191 1.00 0.00 H new ATOM 0 HG LEU A 92 37.235 9.546 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 92 39.019 8.504 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 92 37.440 7.739 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 92 38.115 8.876 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.159 10.895 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.259 11.360 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 92 37.680 11.875 5.012 1.00 0.00 H new ATOM 548 N ALA A 93 33.468 10.619 2.342 1.00 0.00 N ATOM 549 CA ALA A 93 32.115 10.326 1.886 1.00 0.00 C ATOM 550 C ALA A 93 32.040 10.307 0.363 1.00 0.00 C ATOM 551 O ALA A 93 31.586 9.331 -0.234 1.00 0.00 O ATOM 552 CB ALA A 93 31.135 11.344 2.452 1.00 0.00 C ATOM 0 H ALA A 93 33.535 11.406 2.987 1.00 0.00 H new ATOM 0 HA ALA A 93 31.843 9.335 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.128 11.113 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.159 11.306 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.414 12.343 2.118 1.00 0.00 H new ATOM 558 N LEU A 94 32.489 11.391 -0.260 1.00 0.00 N ATOM 559 CA LEU A 94 32.473 11.500 -1.714 1.00 0.00 C ATOM 560 C LEU A 94 33.346 10.422 -2.350 1.00 0.00 C ATOM 561 O LEU A 94 33.012 9.883 -3.405 1.00 0.00 O ATOM 562 CB LEU A 94 32.956 12.885 -2.148 1.00 0.00 C ATOM 563 CG LEU A 94 31.878 13.962 -2.276 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.435 15.323 -1.889 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.322 13.994 -3.692 1.00 0.00 C ATOM 0 H LEU A 94 32.869 12.207 0.220 1.00 0.00 H new ATOM 0 HA LEU A 94 31.447 11.358 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.702 13.229 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.460 12.787 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 94 31.064 13.718 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.654 16.077 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.784 15.293 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.267 15.576 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.556 14.766 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.127 14.214 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.884 13.025 -3.933 1.00 0.00 H new ATOM 577 N GLU A 95 34.463 10.113 -1.700 1.00 0.00 N ATOM 578 CA GLU A 95 35.382 9.099 -2.202 1.00 0.00 C ATOM 579 C GLU A 95 34.655 7.781 -2.452 1.00 0.00 C ATOM 580 O GLU A 95 34.683 7.244 -3.560 1.00 0.00 O ATOM 581 CB GLU A 95 36.528 8.882 -1.211 1.00 0.00 C ATOM 582 CG GLU A 95 37.808 9.607 -1.592 1.00 0.00 C ATOM 583 CD GLU A 95 38.515 8.963 -2.769 1.00 0.00 C ATOM 584 OE1 GLU A 95 37.918 8.910 -3.864 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.667 8.513 -2.594 1.00 0.00 O ATOM 0 H GLU A 95 34.753 10.550 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 95 35.791 9.453 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 95 36.211 9.217 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.734 7.814 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 95 37.575 10.644 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 95 38.480 9.624 -0.734 1.00 0.00 H new ATOM 592 N LEU A 96 34.004 7.265 -1.415 1.00 0.00 N ATOM 593 CA LEU A 96 33.269 6.010 -1.521 1.00 0.00 C ATOM 594 C LEU A 96 32.111 6.138 -2.505 1.00 0.00 C ATOM 595 O LEU A 96 31.858 5.235 -3.303 1.00 0.00 O ATOM 596 CB LEU A 96 32.742 5.588 -0.148 1.00 0.00 C ATOM 597 CG LEU A 96 32.030 4.236 -0.089 1.00 0.00 C ATOM 598 CD1 LEU A 96 32.907 3.201 0.598 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.695 4.367 0.629 1.00 0.00 C ATOM 0 H LEU A 96 33.970 7.697 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 96 33.953 5.247 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.579 5.566 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.053 6.355 0.206 1.00 0.00 H new ATOM 0 HG LEU A 96 31.840 3.902 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.384 2.245 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.838 3.086 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.129 3.528 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.202 3.395 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.862 4.723 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.063 5.077 0.095 1.00 0.00 H new ATOM 611 N LEU A 97 31.413 7.267 -2.445 1.00 0.00 N ATOM 612 CA LEU A 97 30.283 7.515 -3.334 1.00 0.00 C ATOM 613 C LEU A 97 30.687 7.334 -4.793 1.00 0.00 C ATOM 614 O LEU A 97 29.980 6.692 -5.568 1.00 0.00 O ATOM 615 CB LEU A 97 29.737 8.927 -3.115 1.00 0.00 C ATOM 616 CG LEU A 97 28.239 9.113 -3.357 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.754 10.411 -2.730 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.934 9.093 -4.848 1.00 0.00 C ATOM 0 H LEU A 97 31.609 8.025 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 97 29.503 6.790 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.959 9.226 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.278 9.610 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 97 27.709 8.285 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.686 10.526 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.938 10.387 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.290 11.251 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.863 9.227 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.475 9.901 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.245 8.137 -5.270 1.00 0.00 H new ATOM 630 N ASN A 98 31.830 7.904 -5.160 1.00 0.00 N ATOM 631 CA ASN A 98 32.330 7.805 -6.526 1.00 0.00 C ATOM 632 C ASN A 98 33.006 6.457 -6.761 1.00 0.00 C ATOM 633 O ASN A 98 33.004 5.936 -7.877 1.00 0.00 O ATOM 634 CB ASN A 98 33.315 8.939 -6.815 1.00 0.00 C ATOM 635 CG ASN A 98 32.822 9.870 -7.905 1.00 0.00 C ATOM 636 OD1 ASN A 98 32.065 9.465 -8.788 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.249 11.126 -7.849 1.00 0.00 N ATOM 0 H ASN A 98 32.428 8.439 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 98 31.481 7.889 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.485 9.510 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.275 8.516 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 98 32.950 11.798 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 98 33.876 11.419 -7.099 1.00 0.00 H new ATOM 644 N TYR A 99 33.583 5.898 -5.703 1.00 0.00 N ATOM 645 CA TYR A 99 34.264 4.612 -5.794 1.00 0.00 C ATOM 646 C TYR A 99 33.270 3.488 -6.067 1.00 0.00 C ATOM 647 O TYR A 99 33.635 2.433 -6.589 1.00 0.00 O ATOM 648 CB TYR A 99 35.033 4.326 -4.503 1.00 0.00 C ATOM 649 CG TYR A 99 36.521 4.570 -4.618 1.00 0.00 C ATOM 650 CD1 TYR A 99 37.275 3.936 -5.598 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.172 5.435 -3.748 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.635 4.155 -5.706 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.531 5.662 -3.849 1.00 0.00 C ATOM 654 CZ TYR A 99 39.258 5.019 -4.829 1.00 0.00 C ATOM 655 OH TYR A 99 40.612 5.241 -4.935 1.00 0.00 O ATOM 0 H TYR A 99 33.593 6.315 -4.772 1.00 0.00 H new ATOM 0 HA TYR A 99 34.968 4.660 -6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.632 4.950 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.865 3.289 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.790 3.261 -6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.606 5.939 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 99 39.207 3.653 -6.472 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.021 6.339 -3.165 1.00 0.00 H new ATOM 0 HH TYR A 99 40.895 5.876 -4.244 1.00 0.00 H new ATOM 665 N LEU A 100 32.012 3.720 -5.711 1.00 0.00 N ATOM 666 CA LEU A 100 30.962 2.728 -5.918 1.00 0.00 C ATOM 667 C LEU A 100 29.595 3.296 -5.552 1.00 0.00 C ATOM 668 O LEU A 100 29.319 3.572 -4.385 1.00 0.00 O ATOM 669 CB LEU A 100 31.246 1.476 -5.085 1.00 0.00 C ATOM 670 CG LEU A 100 30.747 0.154 -5.669 1.00 0.00 C ATOM 671 CD1 LEU A 100 29.308 0.289 -6.144 1.00 0.00 C ATOM 672 CD2 LEU A 100 31.646 -0.298 -6.811 1.00 0.00 C ATOM 0 H LEU A 100 31.693 4.587 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 100 30.952 2.461 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.323 1.400 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 100 30.796 1.609 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 100 30.780 -0.602 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 100 28.970 -0.662 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 100 28.672 0.566 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 100 29.249 1.059 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 100 31.276 -1.240 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.645 0.458 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 100 32.662 -0.436 -6.441 1.00 0.00 H new ATOM 684 N ASN A 101 28.743 3.468 -6.557 1.00 0.00 N ATOM 685 CA ASN A 101 27.403 4.002 -6.341 1.00 0.00 C ATOM 686 C ASN A 101 26.614 3.119 -5.379 1.00 0.00 C ATOM 687 O ASN A 101 26.029 3.607 -4.412 1.00 0.00 O ATOM 688 CB ASN A 101 26.657 4.120 -7.671 1.00 0.00 C ATOM 689 CG ASN A 101 26.869 2.910 -8.561 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.964 2.688 -9.077 1.00 0.00 O ATOM 691 ND2 ASN A 101 25.817 2.120 -8.745 1.00 0.00 N ATOM 0 H ASN A 101 28.956 3.245 -7.529 1.00 0.00 H new ATOM 0 HA ASN A 101 27.501 4.993 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.591 4.243 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.992 5.016 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 101 25.898 1.291 -9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 101 24.928 2.342 -8.297 1.00 0.00 H new ATOM 698 N GLU A 102 26.604 1.818 -5.651 1.00 0.00 N ATOM 699 CA GLU A 102 25.886 0.868 -4.810 1.00 0.00 C ATOM 700 C GLU A 102 26.226 1.080 -3.337 1.00 0.00 C ATOM 701 O GLU A 102 25.395 0.855 -2.457 1.00 0.00 O ATOM 702 CB GLU A 102 26.224 -0.567 -5.220 1.00 0.00 C ATOM 703 CG GLU A 102 26.014 -0.842 -6.700 1.00 0.00 C ATOM 704 CD GLU A 102 24.592 -0.569 -7.148 1.00 0.00 C ATOM 705 OE1 GLU A 102 24.182 0.611 -7.137 1.00 0.00 O ATOM 706 OE2 GLU A 102 23.888 -1.535 -7.511 1.00 0.00 O ATOM 0 H GLU A 102 27.085 1.398 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 102 24.818 1.036 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.263 -0.774 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 102 25.610 -1.256 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 102 26.699 -0.225 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 102 26.264 -1.882 -6.912 1.00 0.00 H new ATOM 713 N LYS A 103 27.455 1.515 -3.077 1.00 0.00 N ATOM 714 CA LYS A 103 27.907 1.759 -1.712 1.00 0.00 C ATOM 715 C LYS A 103 27.941 3.254 -1.409 1.00 0.00 C ATOM 716 O LYS A 103 28.950 3.920 -1.638 1.00 0.00 O ATOM 717 CB LYS A 103 29.295 1.153 -1.497 1.00 0.00 C ATOM 718 CG LYS A 103 29.262 -0.268 -0.960 1.00 0.00 C ATOM 719 CD LYS A 103 30.654 -0.762 -0.604 1.00 0.00 C ATOM 720 CE LYS A 103 31.403 -1.252 -1.833 1.00 0.00 C ATOM 721 NZ LYS A 103 32.420 -2.283 -1.489 1.00 0.00 N ATOM 0 H LYS A 103 28.155 1.706 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 103 27.200 1.284 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.837 1.163 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.853 1.782 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 103 28.623 -0.310 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 103 28.820 -0.929 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 103 31.217 0.043 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 103 30.579 -1.570 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 103 30.694 -1.667 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 103 31.892 -0.408 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 32.908 -2.591 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 33.112 -1.880 -0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 31.951 -3.099 -1.047 1.00 0.00 H new ATOM 735 N GLY A 104 26.832 3.774 -0.892 1.00 0.00 N ATOM 736 CA GLY A 104 26.758 5.186 -0.566 1.00 0.00 C ATOM 737 C GLY A 104 25.409 5.579 0.004 1.00 0.00 C ATOM 738 O GLY A 104 25.211 5.560 1.219 1.00 0.00 O ATOM 0 H GLY A 104 25.984 3.243 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.539 5.431 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.955 5.774 -1.463 1.00 0.00 H new ATOM 742 N PHE A 105 24.479 5.938 -0.874 1.00 0.00 N ATOM 743 CA PHE A 105 23.143 6.340 -0.451 1.00 0.00 C ATOM 744 C PHE A 105 22.547 5.319 0.513 1.00 0.00 C ATOM 745 O PHE A 105 22.068 5.671 1.592 1.00 0.00 O ATOM 746 CB PHE A 105 22.228 6.505 -1.667 1.00 0.00 C ATOM 747 CG PHE A 105 20.774 6.626 -1.311 1.00 0.00 C ATOM 748 CD1 PHE A 105 20.347 7.578 -0.399 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.833 5.789 -1.889 1.00 0.00 C ATOM 750 CE1 PHE A 105 19.010 7.691 -0.069 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.494 5.897 -1.563 1.00 0.00 C ATOM 752 CZ PHE A 105 18.082 6.851 -0.653 1.00 0.00 C ATOM 0 H PHE A 105 24.626 5.959 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 105 23.225 7.296 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.533 7.391 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.361 5.651 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 105 21.068 8.239 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.150 5.043 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.691 8.436 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.771 5.237 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.036 6.940 -0.399 1.00 0.00 H new ATOM 762 N LEU A 106 22.579 4.051 0.116 1.00 0.00 N ATOM 763 CA LEU A 106 22.042 2.977 0.944 1.00 0.00 C ATOM 764 C LEU A 106 23.091 1.896 1.182 1.00 0.00 C ATOM 765 O LEU A 106 22.770 0.710 1.253 1.00 0.00 O ATOM 766 CB LEU A 106 20.805 2.366 0.281 1.00 0.00 C ATOM 767 CG LEU A 106 21.056 1.563 -0.996 1.00 0.00 C ATOM 768 CD1 LEU A 106 20.005 0.476 -1.157 1.00 0.00 C ATOM 769 CD2 LEU A 106 21.066 2.482 -2.209 1.00 0.00 C ATOM 0 H LEU A 106 22.971 3.742 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 106 21.759 3.401 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.313 1.716 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 106 20.107 3.170 0.049 1.00 0.00 H new ATOM 0 HG LEU A 106 22.033 1.086 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.199 -0.085 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.045 -0.198 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 106 19.016 0.931 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 106 21.246 1.894 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 106 20.103 2.986 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 106 21.856 3.224 -2.096 1.00 0.00 H new ATOM 781 N SER A 107 24.347 2.315 1.306 1.00 0.00 N ATOM 782 CA SER A 107 25.444 1.383 1.535 1.00 0.00 C ATOM 783 C SER A 107 25.179 0.523 2.767 1.00 0.00 C ATOM 784 O SER A 107 24.161 0.681 3.442 1.00 0.00 O ATOM 785 CB SER A 107 26.761 2.144 1.705 1.00 0.00 C ATOM 786 OG SER A 107 26.526 3.506 2.018 1.00 0.00 O ATOM 0 H SER A 107 24.629 3.294 1.252 1.00 0.00 H new ATOM 0 HA SER A 107 25.519 0.729 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 107 27.352 1.682 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 107 27.346 2.074 0.788 1.00 0.00 H new ATOM 0 HG SER A 107 27.383 3.970 2.123 1.00 0.00 H new ATOM 792 N LYS A 108 26.102 -0.389 3.055 1.00 0.00 N ATOM 793 CA LYS A 108 25.971 -1.274 4.206 1.00 0.00 C ATOM 794 C LYS A 108 26.202 -0.513 5.507 1.00 0.00 C ATOM 795 O LYS A 108 26.118 0.714 5.543 1.00 0.00 O ATOM 796 CB LYS A 108 26.963 -2.435 4.098 1.00 0.00 C ATOM 797 CG LYS A 108 26.986 -3.089 2.727 1.00 0.00 C ATOM 798 CD LYS A 108 28.078 -4.141 2.631 1.00 0.00 C ATOM 799 CE LYS A 108 29.359 -3.563 2.049 1.00 0.00 C ATOM 800 NZ LYS A 108 30.525 -4.462 2.273 1.00 0.00 N ATOM 0 H LYS A 108 26.949 -0.534 2.506 1.00 0.00 H new ATOM 0 HA LYS A 108 24.956 -1.671 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.963 -2.071 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.712 -3.187 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.018 -3.548 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 108 27.144 -2.328 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 108 28.279 -4.550 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 108 27.735 -4.967 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 108 29.229 -3.396 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 108 29.557 -2.591 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 31.305 -3.920 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 30.251 -5.232 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 30.834 -4.863 1.364 1.00 0.00 H new ATOM 814 N SER A 109 26.496 -1.250 6.574 1.00 0.00 N ATOM 815 CA SER A 109 26.737 -0.644 7.879 1.00 0.00 C ATOM 816 C SER A 109 27.973 0.250 7.842 1.00 0.00 C ATOM 817 O SER A 109 28.860 0.069 7.007 1.00 0.00 O ATOM 818 CB SER A 109 26.909 -1.728 8.944 1.00 0.00 C ATOM 819 OG SER A 109 25.653 -2.164 9.435 1.00 0.00 O ATOM 0 H SER A 109 26.573 -2.267 6.561 1.00 0.00 H new ATOM 0 HA SER A 109 25.873 -0.030 8.133 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.452 -2.574 8.522 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.511 -1.342 9.767 1.00 0.00 H new ATOM 0 HG SER A 109 25.790 -2.858 10.113 1.00 0.00 H new ATOM 825 N VAL A 110 28.025 1.215 8.754 1.00 0.00 N ATOM 826 CA VAL A 110 29.152 2.137 8.828 1.00 0.00 C ATOM 827 C VAL A 110 30.477 1.385 8.850 1.00 0.00 C ATOM 828 O VAL A 110 31.466 1.833 8.270 1.00 0.00 O ATOM 829 CB VAL A 110 29.063 3.034 10.078 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.911 4.018 9.948 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.911 2.185 11.332 1.00 0.00 C ATOM 0 H VAL A 110 27.300 1.379 9.452 1.00 0.00 H new ATOM 0 HA VAL A 110 29.107 2.763 7.937 1.00 0.00 H new ATOM 0 HB VAL A 110 29.988 3.604 10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.864 4.643 10.840 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.067 4.647 9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 110 26.975 3.470 9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.850 2.834 12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 110 28.002 1.588 11.259 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.772 1.524 11.431 1.00 0.00 H new ATOM 841 N GLU A 111 30.490 0.238 9.522 1.00 0.00 N ATOM 842 CA GLU A 111 31.695 -0.577 9.619 1.00 0.00 C ATOM 843 C GLU A 111 32.191 -0.982 8.234 1.00 0.00 C ATOM 844 O GLU A 111 33.390 -0.945 7.959 1.00 0.00 O ATOM 845 CB GLU A 111 31.426 -1.826 10.461 1.00 0.00 C ATOM 846 CG GLU A 111 31.110 -1.523 11.916 1.00 0.00 C ATOM 847 CD GLU A 111 30.985 -2.777 12.760 1.00 0.00 C ATOM 848 OE1 GLU A 111 30.073 -3.586 12.487 1.00 0.00 O ATOM 849 OE2 GLU A 111 31.797 -2.949 13.692 1.00 0.00 O ATOM 0 H GLU A 111 29.680 -0.148 10.007 1.00 0.00 H new ATOM 0 HA GLU A 111 32.468 0.020 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.593 -2.376 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.298 -2.479 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.894 -0.888 12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.180 -0.958 11.972 1.00 0.00 H new ATOM 856 N GLU A 112 31.260 -1.367 7.367 1.00 0.00 N ATOM 857 CA GLU A 112 31.603 -1.780 6.011 1.00 0.00 C ATOM 858 C GLU A 112 32.304 -0.651 5.260 1.00 0.00 C ATOM 859 O GLU A 112 33.445 -0.799 4.822 1.00 0.00 O ATOM 860 CB GLU A 112 30.346 -2.209 5.252 1.00 0.00 C ATOM 861 CG GLU A 112 29.916 -3.636 5.544 1.00 0.00 C ATOM 862 CD GLU A 112 30.180 -4.043 6.981 1.00 0.00 C ATOM 863 OE1 GLU A 112 29.513 -3.496 7.884 1.00 0.00 O ATOM 864 OE2 GLU A 112 31.053 -4.908 7.201 1.00 0.00 O ATOM 0 H GLU A 112 30.263 -1.402 7.579 1.00 0.00 H new ATOM 0 HA GLU A 112 32.285 -2.627 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.530 -1.533 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.524 -2.104 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 112 28.852 -3.742 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 112 30.445 -4.315 4.875 1.00 0.00 H new ATOM 871 N ILE A 113 31.613 0.474 5.116 1.00 0.00 N ATOM 872 CA ILE A 113 32.169 1.627 4.418 1.00 0.00 C ATOM 873 C ILE A 113 33.514 2.032 5.012 1.00 0.00 C ATOM 874 O ILE A 113 34.462 2.326 4.283 1.00 0.00 O ATOM 875 CB ILE A 113 31.212 2.833 4.473 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.944 2.543 3.667 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.905 4.083 3.951 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.667 2.806 4.434 1.00 0.00 C ATOM 0 H ILE A 113 30.668 0.612 5.473 1.00 0.00 H new ATOM 0 HA ILE A 113 32.308 1.331 3.378 1.00 0.00 H new ATOM 0 HB ILE A 113 30.928 3.006 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.949 3.155 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.958 1.501 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.216 4.927 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.781 4.296 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.215 3.923 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.809 2.579 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.640 2.175 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.631 3.854 4.732 1.00 0.00 H new ATOM 890 N SER A 114 33.590 2.044 6.339 1.00 0.00 N ATOM 891 CA SER A 114 34.819 2.414 7.031 1.00 0.00 C ATOM 892 C SER A 114 35.956 1.466 6.663 1.00 0.00 C ATOM 893 O SER A 114 37.072 1.900 6.375 1.00 0.00 O ATOM 894 CB SER A 114 34.600 2.403 8.545 1.00 0.00 C ATOM 895 OG SER A 114 35.698 1.809 9.215 1.00 0.00 O ATOM 0 H SER A 114 32.815 1.802 6.956 1.00 0.00 H new ATOM 0 HA SER A 114 35.094 3.421 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.460 3.423 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.687 1.855 8.780 1.00 0.00 H new ATOM 0 HG SER A 114 36.502 2.349 9.068 1.00 0.00 H new ATOM 901 N ASP A 115 35.665 0.170 6.676 1.00 0.00 N ATOM 902 CA ASP A 115 36.662 -0.841 6.343 1.00 0.00 C ATOM 903 C ASP A 115 37.079 -0.731 4.880 1.00 0.00 C ATOM 904 O ASP A 115 38.229 -0.999 4.529 1.00 0.00 O ATOM 905 CB ASP A 115 36.115 -2.240 6.627 1.00 0.00 C ATOM 906 CG ASP A 115 37.023 -3.043 7.537 1.00 0.00 C ATOM 907 OD1 ASP A 115 37.461 -2.496 8.571 1.00 0.00 O ATOM 908 OD2 ASP A 115 37.297 -4.219 7.216 1.00 0.00 O ATOM 0 H ASP A 115 34.747 -0.205 6.914 1.00 0.00 H new ATOM 0 HA ASP A 115 37.540 -0.670 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 115 35.129 -2.156 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.985 -2.774 5.686 1.00 0.00 H new ATOM 913 N VAL A 116 36.137 -0.338 4.029 1.00 0.00 N ATOM 914 CA VAL A 116 36.406 -0.193 2.603 1.00 0.00 C ATOM 915 C VAL A 116 37.201 1.077 2.320 1.00 0.00 C ATOM 916 O VAL A 116 38.040 1.109 1.418 1.00 0.00 O ATOM 917 CB VAL A 116 35.101 -0.161 1.786 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.404 -0.011 0.303 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.280 -1.415 2.046 1.00 0.00 C ATOM 0 H VAL A 116 35.180 -0.114 4.302 1.00 0.00 H new ATOM 0 HA VAL A 116 36.993 -1.061 2.302 1.00 0.00 H new ATOM 0 HB VAL A 116 34.515 0.702 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.470 0.010 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.949 0.918 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 116 36.010 -0.853 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.361 -1.376 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.857 -2.294 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 116 34.033 -1.475 3.106 1.00 0.00 H new ATOM 929 N LEU A 117 36.933 2.121 3.096 1.00 0.00 N ATOM 930 CA LEU A 117 37.624 3.395 2.930 1.00 0.00 C ATOM 931 C LEU A 117 38.871 3.457 3.805 1.00 0.00 C ATOM 932 O LEU A 117 39.615 4.437 3.776 1.00 0.00 O ATOM 933 CB LEU A 117 36.687 4.554 3.274 1.00 0.00 C ATOM 934 CG LEU A 117 36.486 5.603 2.179 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.079 4.939 0.873 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.445 6.627 2.607 1.00 0.00 C ATOM 0 H LEU A 117 36.242 2.111 3.846 1.00 0.00 H new ATOM 0 HA LEU A 117 37.931 3.481 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.713 4.142 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.072 5.055 4.162 1.00 0.00 H new ATOM 0 HG LEU A 117 37.432 6.121 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 117 35.940 5.700 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 117 36.859 4.245 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.146 4.395 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.315 7.366 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.496 6.125 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 117 35.778 7.125 3.518 1.00 0.00 H new ATOM 948 N ARG A 118 39.095 2.402 4.583 1.00 0.00 N ATOM 949 CA ARG A 118 40.253 2.336 5.466 1.00 0.00 C ATOM 950 C ARG A 118 40.257 3.507 6.445 1.00 0.00 C ATOM 951 O ARG A 118 41.300 3.865 6.994 1.00 0.00 O ATOM 952 CB ARG A 118 41.546 2.336 4.648 1.00 0.00 C ATOM 953 CG ARG A 118 41.765 1.058 3.856 1.00 0.00 C ATOM 954 CD ARG A 118 42.475 1.334 2.540 1.00 0.00 C ATOM 955 NE ARG A 118 43.928 1.254 2.674 1.00 0.00 N ATOM 956 CZ ARG A 118 44.776 1.666 1.739 1.00 0.00 C ATOM 957 NH1 ARG A 118 44.320 2.184 0.607 1.00 0.00 N ATOM 958 NH2 ARG A 118 46.084 1.560 1.935 1.00 0.00 N ATOM 0 H ARG A 118 38.490 1.582 4.619 1.00 0.00 H new ATOM 0 HA ARG A 118 40.192 1.409 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.531 3.182 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.391 2.486 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.354 0.358 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 118 40.805 0.581 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 118 42.140 0.617 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 118 42.198 2.325 2.180 1.00 0.00 H new ATOM 0 HE ARG A 118 44.312 0.860 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 118 43.315 2.267 0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 118 44.974 2.500 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 118 46.439 1.162 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 118 46.735 1.877 1.216 1.00 0.00 H new ATOM 972 N CYS A 119 39.087 4.098 6.658 1.00 0.00 N ATOM 973 CA CYS A 119 38.956 5.229 7.569 1.00 0.00 C ATOM 974 C CYS A 119 38.177 4.832 8.819 1.00 0.00 C ATOM 975 O CYS A 119 37.524 3.789 8.851 1.00 0.00 O ATOM 976 CB CYS A 119 38.259 6.397 6.869 1.00 0.00 C ATOM 977 SG CYS A 119 38.946 8.018 7.279 1.00 0.00 S ATOM 0 H CYS A 119 38.215 3.813 6.212 1.00 0.00 H new ATOM 0 HA CYS A 119 39.957 5.540 7.869 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.321 6.250 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.201 6.385 7.132 1.00 0.00 H new ATOM 0 HG CYS A 119 37.984 8.824 7.619 1.00 0.00 H new ATOM 983 N SER A 120 38.254 5.670 9.848 1.00 0.00 N ATOM 984 CA SER A 120 37.561 5.404 11.104 1.00 0.00 C ATOM 985 C SER A 120 36.048 5.434 10.906 1.00 0.00 C ATOM 986 O SER A 120 35.528 6.233 10.128 1.00 0.00 O ATOM 987 CB SER A 120 37.968 6.430 12.163 1.00 0.00 C ATOM 988 OG SER A 120 39.282 6.183 12.633 1.00 0.00 O ATOM 0 H SER A 120 38.789 6.538 9.837 1.00 0.00 H new ATOM 0 HA SER A 120 37.846 4.409 11.444 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.912 7.434 11.742 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.267 6.394 12.997 1.00 0.00 H new ATOM 0 HG SER A 120 39.519 6.853 13.308 1.00 0.00 H new ATOM 994 N VAL A 121 35.348 4.555 11.617 1.00 0.00 N ATOM 995 CA VAL A 121 33.895 4.480 11.522 1.00 0.00 C ATOM 996 C VAL A 121 33.245 5.775 11.996 1.00 0.00 C ATOM 997 O VAL A 121 32.282 6.253 11.398 1.00 0.00 O ATOM 998 CB VAL A 121 33.338 3.306 12.349 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.818 3.294 12.303 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.906 1.987 11.850 1.00 0.00 C ATOM 0 H VAL A 121 35.764 3.885 12.265 1.00 0.00 H new ATOM 0 HA VAL A 121 33.655 4.320 10.471 1.00 0.00 H new ATOM 0 HB VAL A 121 33.644 3.437 13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.443 2.458 12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.434 4.228 12.713 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.486 3.187 11.270 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.502 1.168 12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.632 1.845 10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.992 2.001 11.942 1.00 0.00 H new ATOM 1010 N GLU A 122 33.780 6.339 13.075 1.00 0.00 N ATOM 1011 CA GLU A 122 33.252 7.580 13.629 1.00 0.00 C ATOM 1012 C GLU A 122 33.097 8.639 12.542 1.00 0.00 C ATOM 1013 O GLU A 122 32.093 9.349 12.492 1.00 0.00 O ATOM 1014 CB GLU A 122 34.169 8.100 14.738 1.00 0.00 C ATOM 1015 CG GLU A 122 35.646 8.033 14.388 1.00 0.00 C ATOM 1016 CD GLU A 122 36.522 8.720 15.418 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.664 8.175 16.532 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.064 9.802 15.109 1.00 0.00 O ATOM 0 H GLU A 122 34.578 5.956 13.582 1.00 0.00 H new ATOM 0 HA GLU A 122 32.268 7.371 14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 122 33.904 9.133 14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 122 33.993 7.522 15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 122 35.947 6.989 14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.806 8.496 13.414 1.00 0.00 H new ATOM 1025 N GLU A 123 34.100 8.740 11.675 1.00 0.00 N ATOM 1026 CA GLU A 123 34.076 9.714 10.590 1.00 0.00 C ATOM 1027 C GLU A 123 32.972 9.386 9.589 1.00 0.00 C ATOM 1028 O GLU A 123 32.175 10.250 9.222 1.00 0.00 O ATOM 1029 CB GLU A 123 35.430 9.751 9.879 1.00 0.00 C ATOM 1030 CG GLU A 123 35.805 11.127 9.354 1.00 0.00 C ATOM 1031 CD GLU A 123 36.153 12.100 10.464 1.00 0.00 C ATOM 1032 OE1 GLU A 123 35.230 12.541 11.179 1.00 0.00 O ATOM 1033 OE2 GLU A 123 37.351 12.419 10.617 1.00 0.00 O ATOM 0 H GLU A 123 34.938 8.160 11.703 1.00 0.00 H new ATOM 0 HA GLU A 123 33.873 10.695 11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.203 9.412 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.414 9.046 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.655 11.034 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 123 34.976 11.528 8.771 1.00 0.00 H new ATOM 1040 N LEU A 124 32.932 8.132 9.152 1.00 0.00 N ATOM 1041 CA LEU A 124 31.926 7.689 8.193 1.00 0.00 C ATOM 1042 C LEU A 124 30.519 7.941 8.724 1.00 0.00 C ATOM 1043 O LEU A 124 29.624 8.331 7.975 1.00 0.00 O ATOM 1044 CB LEU A 124 32.109 6.202 7.884 1.00 0.00 C ATOM 1045 CG LEU A 124 31.159 5.612 6.840 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.825 5.253 7.475 1.00 0.00 C ATOM 1047 CD2 LEU A 124 30.959 6.587 5.689 1.00 0.00 C ATOM 0 H LEU A 124 33.584 7.405 9.446 1.00 0.00 H new ATOM 0 HA LEU A 124 32.056 8.263 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.133 6.045 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 124 31.991 5.641 8.811 1.00 0.00 H new ATOM 0 HG LEU A 124 31.606 4.700 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.162 4.835 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 124 29.984 4.518 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.371 6.149 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.280 6.150 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.534 7.516 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.919 6.794 5.216 1.00 0.00 H new ATOM 1059 N GLU A 125 30.332 7.717 10.021 1.00 0.00 N ATOM 1060 CA GLU A 125 29.033 7.921 10.651 1.00 0.00 C ATOM 1061 C GLU A 125 28.672 9.403 10.685 1.00 0.00 C ATOM 1062 O GLU A 125 27.546 9.787 10.370 1.00 0.00 O ATOM 1063 CB GLU A 125 29.036 7.352 12.072 1.00 0.00 C ATOM 1064 CG GLU A 125 28.497 8.317 13.114 1.00 0.00 C ATOM 1065 CD GLU A 125 28.318 7.668 14.473 1.00 0.00 C ATOM 1066 OE1 GLU A 125 28.156 6.430 14.521 1.00 0.00 O ATOM 1067 OE2 GLU A 125 28.340 8.396 15.487 1.00 0.00 O ATOM 0 H GLU A 125 31.063 7.395 10.655 1.00 0.00 H new ATOM 0 HA GLU A 125 28.284 7.396 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.440 6.440 12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.055 7.072 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.178 9.163 13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.540 8.713 12.776 1.00 0.00 H new ATOM 1074 N LYS A 126 29.637 10.232 11.071 1.00 0.00 N ATOM 1075 CA LYS A 126 29.423 11.672 11.147 1.00 0.00 C ATOM 1076 C LYS A 126 28.982 12.229 9.797 1.00 0.00 C ATOM 1077 O LYS A 126 27.972 12.927 9.702 1.00 0.00 O ATOM 1078 CB LYS A 126 30.703 12.375 11.606 1.00 0.00 C ATOM 1079 CG LYS A 126 30.619 12.931 13.017 1.00 0.00 C ATOM 1080 CD LYS A 126 31.985 12.973 13.682 1.00 0.00 C ATOM 1081 CE LYS A 126 31.870 13.251 15.173 1.00 0.00 C ATOM 1082 NZ LYS A 126 31.462 14.657 15.446 1.00 0.00 N ATOM 0 H LYS A 126 30.575 9.931 11.336 1.00 0.00 H new ATOM 0 HA LYS A 126 28.632 11.858 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.534 11.672 11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.928 13.189 10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 126 30.196 13.935 12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 126 29.943 12.317 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 126 32.496 12.023 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 126 32.596 13.744 13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 126 31.142 12.570 15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 126 32.827 13.051 15.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 31.395 14.806 16.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 32.169 15.307 15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 30.537 14.841 15.008 1.00 0.00 H new ATOM 1096 N VAL A 127 29.744 11.914 8.754 1.00 0.00 N ATOM 1097 CA VAL A 127 29.429 12.380 7.409 1.00 0.00 C ATOM 1098 C VAL A 127 28.097 11.816 6.930 1.00 0.00 C ATOM 1099 O VAL A 127 27.313 12.512 6.283 1.00 0.00 O ATOM 1100 CB VAL A 127 30.531 11.988 6.407 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.837 12.688 6.748 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.716 10.478 6.384 1.00 0.00 C ATOM 0 H VAL A 127 30.584 11.338 8.815 1.00 0.00 H new ATOM 0 HA VAL A 127 29.363 13.467 7.458 1.00 0.00 H new ATOM 0 HB VAL A 127 30.224 12.309 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.603 12.399 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.692 13.768 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.153 12.400 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.498 10.218 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.001 10.131 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.782 10.001 6.087 1.00 0.00 H new ATOM 1112 N ARG A 128 27.846 10.551 7.251 1.00 0.00 N ATOM 1113 CA ARG A 128 26.608 9.892 6.852 1.00 0.00 C ATOM 1114 C ARG A 128 25.401 10.564 7.501 1.00 0.00 C ATOM 1115 O ARG A 128 24.394 10.821 6.843 1.00 0.00 O ATOM 1116 CB ARG A 128 26.647 8.411 7.233 1.00 0.00 C ATOM 1117 CG ARG A 128 27.039 7.497 6.083 1.00 0.00 C ATOM 1118 CD ARG A 128 25.816 6.895 5.409 1.00 0.00 C ATOM 1119 NE ARG A 128 24.953 7.918 4.826 1.00 0.00 N ATOM 1120 CZ ARG A 128 23.687 7.704 4.483 1.00 0.00 C ATOM 1121 NH1 ARG A 128 23.141 6.509 4.665 1.00 0.00 N ATOM 1122 NH2 ARG A 128 22.965 8.686 3.959 1.00 0.00 N ATOM 0 H ARG A 128 28.484 9.962 7.786 1.00 0.00 H new ATOM 0 HA ARG A 128 26.512 9.979 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.353 8.274 8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.666 8.114 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.619 8.059 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 128 27.682 6.698 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 128 26.135 6.203 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 128 25.249 6.315 6.137 1.00 0.00 H new ATOM 0 HE ARG A 128 25.343 8.848 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 128 23.693 5.752 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 128 22.169 6.347 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 128 23.381 9.607 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 128 21.993 8.520 3.696 1.00 0.00 H new ATOM 1136 N GLN A 129 25.512 10.843 8.796 1.00 0.00 N ATOM 1137 CA GLN A 129 24.429 11.483 9.534 1.00 0.00 C ATOM 1138 C GLN A 129 24.216 12.915 9.055 1.00 0.00 C ATOM 1139 O GLN A 129 23.086 13.401 9.000 1.00 0.00 O ATOM 1140 CB GLN A 129 24.731 11.474 11.034 1.00 0.00 C ATOM 1141 CG GLN A 129 24.863 10.077 11.619 1.00 0.00 C ATOM 1142 CD GLN A 129 23.526 9.479 12.008 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.682 10.150 12.603 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.325 8.210 11.674 1.00 0.00 N ATOM 0 H GLN A 129 26.340 10.636 9.355 1.00 0.00 H new ATOM 0 HA GLN A 129 23.515 10.918 9.351 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.655 12.023 11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 129 23.937 12.006 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.350 9.427 10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.509 10.114 12.496 1.00 0.00 H new ATOM 0 HE21 GLN A 129 24.052 7.691 11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.444 7.754 11.910 1.00 0.00 H new ATOM 1153 N LYS A 130 25.309 13.587 8.709 1.00 0.00 N ATOM 1154 CA LYS A 130 25.243 14.964 8.234 1.00 0.00 C ATOM 1155 C LYS A 130 24.554 15.038 6.875 1.00 0.00 C ATOM 1156 O LYS A 130 23.783 15.960 6.608 1.00 0.00 O ATOM 1157 CB LYS A 130 26.650 15.560 8.137 1.00 0.00 C ATOM 1158 CG LYS A 130 26.893 16.704 9.105 1.00 0.00 C ATOM 1159 CD LYS A 130 28.121 17.511 8.717 1.00 0.00 C ATOM 1160 CE LYS A 130 29.254 17.316 9.712 1.00 0.00 C ATOM 1161 NZ LYS A 130 29.552 15.874 9.937 1.00 0.00 N ATOM 0 H LYS A 130 26.252 13.200 8.749 1.00 0.00 H new ATOM 0 HA LYS A 130 24.659 15.541 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.382 14.775 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.816 15.914 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.020 17.356 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.020 16.309 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.454 17.214 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.861 18.568 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 130 30.149 17.819 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 130 28.990 17.785 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.285 15.612 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 29.010 15.298 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 30.569 15.704 9.799 1.00 0.00 H new ATOM 1175 N VAL A 131 24.834 14.060 6.020 1.00 0.00 N ATOM 1176 CA VAL A 131 24.239 14.013 4.690 1.00 0.00 C ATOM 1177 C VAL A 131 22.863 13.357 4.727 1.00 0.00 C ATOM 1178 O VAL A 131 22.049 13.545 3.822 1.00 0.00 O ATOM 1179 CB VAL A 131 25.135 13.245 3.701 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.528 13.853 3.659 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.199 11.771 4.074 1.00 0.00 C ATOM 0 H VAL A 131 25.470 13.289 6.225 1.00 0.00 H new ATOM 0 HA VAL A 131 24.138 15.044 4.352 1.00 0.00 H new ATOM 0 HB VAL A 131 24.699 13.326 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.147 13.297 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.461 14.893 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 131 26.976 13.805 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 131 25.836 11.243 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.610 11.667 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.196 11.345 4.047 1.00 0.00 H new ATOM 1191 N LEU A 132 22.608 12.587 5.779 1.00 0.00 N ATOM 1192 CA LEU A 132 21.330 11.903 5.935 1.00 0.00 C ATOM 1193 C LEU A 132 20.320 12.793 6.652 1.00 0.00 C ATOM 1194 O LEU A 132 19.110 12.624 6.500 1.00 0.00 O ATOM 1195 CB LEU A 132 21.518 10.598 6.711 1.00 0.00 C ATOM 1196 CG LEU A 132 20.276 9.719 6.858 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.467 8.398 6.128 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.964 9.478 8.328 1.00 0.00 C ATOM 0 H LEU A 132 23.270 12.421 6.537 1.00 0.00 H new ATOM 0 HA LEU A 132 20.945 11.675 4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.295 10.014 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 132 21.886 10.841 7.708 1.00 0.00 H new ATOM 0 HG LEU A 132 19.431 10.240 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 132 19.573 7.786 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 132 20.641 8.589 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.324 7.871 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 132 19.077 8.850 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.809 8.979 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.782 10.432 8.823 1.00 0.00 H new ATOM 1210 N ARG A 133 20.825 13.742 7.433 1.00 0.00 N ATOM 1211 CA ARG A 133 19.967 14.660 8.173 1.00 0.00 C ATOM 1212 C ARG A 133 19.082 15.461 7.223 1.00 0.00 C ATOM 1213 O ARG A 133 18.058 16.014 7.629 1.00 0.00 O ATOM 1214 CB ARG A 133 20.813 15.610 9.022 1.00 0.00 C ATOM 1215 CG ARG A 133 21.501 16.699 8.216 1.00 0.00 C ATOM 1216 CD ARG A 133 20.944 18.074 8.548 1.00 0.00 C ATOM 1217 NE ARG A 133 21.510 18.611 9.782 1.00 0.00 N ATOM 1218 CZ ARG A 133 21.204 19.808 10.272 1.00 0.00 C ATOM 1219 NH1 ARG A 133 20.342 20.588 9.634 1.00 0.00 N ATOM 1220 NH2 ARG A 133 21.761 20.226 11.401 1.00 0.00 N ATOM 0 H ARG A 133 21.824 13.896 7.570 1.00 0.00 H new ATOM 0 HA ARG A 133 19.327 14.071 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.177 16.075 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.568 15.032 9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 133 22.572 16.681 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 133 21.374 16.501 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 133 21.153 18.758 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 133 19.860 18.012 8.643 1.00 0.00 H new ATOM 0 HE ARG A 133 22.177 18.036 10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 133 19.912 20.270 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 133 20.109 21.506 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 133 22.425 19.629 11.894 1.00 0.00 H new ATOM 0 HH22 ARG A 133 21.526 21.145 11.776 1.00 0.00 H new ATOM 1234 N LEU A 134 19.482 15.521 5.958 1.00 0.00 N ATOM 1235 CA LEU A 134 18.726 16.256 4.950 1.00 0.00 C ATOM 1236 C LEU A 134 17.357 15.622 4.728 1.00 0.00 C ATOM 1237 O LEU A 134 16.340 16.314 4.697 1.00 0.00 O ATOM 1238 CB LEU A 134 19.501 16.298 3.632 1.00 0.00 C ATOM 1239 CG LEU A 134 20.494 17.450 3.474 1.00 0.00 C ATOM 1240 CD1 LEU A 134 19.760 18.778 3.378 1.00 0.00 C ATOM 1241 CD2 LEU A 134 21.481 17.467 4.633 1.00 0.00 C ATOM 0 H LEU A 134 20.326 15.069 5.606 1.00 0.00 H new ATOM 0 HA LEU A 134 18.581 17.274 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.044 15.359 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.783 16.348 2.813 1.00 0.00 H new ATOM 0 HG LEU A 134 21.052 17.299 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 134 20.483 19.586 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 134 19.094 18.764 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 134 19.176 18.937 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 134 22.180 18.293 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 134 20.939 17.593 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 134 22.031 16.526 4.656 1.00 0.00 H new ATOM 1253 N GLU A 135 17.339 14.301 4.575 1.00 0.00 N ATOM 1254 CA GLU A 135 16.094 13.575 4.357 1.00 0.00 C ATOM 1255 C GLU A 135 15.102 13.844 5.485 1.00 0.00 C ATOM 1256 O GLU A 135 15.026 13.086 6.451 1.00 0.00 O ATOM 1257 CB GLU A 135 16.366 12.073 4.250 1.00 0.00 C ATOM 1258 CG GLU A 135 17.399 11.715 3.194 1.00 0.00 C ATOM 1259 CD GLU A 135 16.930 12.033 1.788 1.00 0.00 C ATOM 1260 OE1 GLU A 135 15.944 11.414 1.337 1.00 0.00 O ATOM 1261 OE2 GLU A 135 17.549 12.902 1.139 1.00 0.00 O ATOM 0 H GLU A 135 18.172 13.713 4.598 1.00 0.00 H new ATOM 0 HA GLU A 135 15.658 13.926 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 135 16.705 11.704 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 135 15.432 11.559 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 135 18.323 12.257 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.631 10.652 3.264 1.00 0.00 H new TER 1268 GLU A 135