USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 49 HIS : no HD1:sc= -0.482 K(o=-0.058,f=-2.9) USER MOD Set 1.2: A 51 SER OG : rot 49:sc= 0.424 USER MOD Set 2.1: A 41 HIS :FLIP no HD1:sc= -0.529 F(o=-2.6,f=-0.89) USER MOD Set 2.2: A 45 HIS :FLIP no HE2:sc= -0.365 F(o=-1.8,f=-0.89) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.075 K(o=-0.075,f=-2.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.34) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 23 SER OG : rot 180:sc= -0.382 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -3.29 F(o=-3.9!,f=-3.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc=-0.00439 (180deg=-0.176) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.665 X(o=-0.66,f=-0.39) USER MOD Single : A 52 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 164:sc= -7.94! (180deg=-9.51!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.2!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 72.186 -2.388 -13.709 1.00 0.00 N ATOM 37 CA THR A 3 71.439 -2.784 -14.929 1.00 0.00 C ATOM 38 C THR A 3 70.997 -1.528 -15.691 1.00 0.00 C ATOM 39 O THR A 3 71.501 -0.446 -15.466 1.00 0.00 O ATOM 40 CB THR A 3 70.230 -3.659 -14.534 1.00 0.00 C ATOM 41 OG1 THR A 3 70.089 -4.709 -15.481 1.00 0.00 O ATOM 42 CG2 THR A 3 68.931 -2.842 -14.495 1.00 0.00 C ATOM 0 HA THR A 3 72.081 -3.371 -15.586 1.00 0.00 H new ATOM 0 HB THR A 3 70.411 -4.059 -13.536 1.00 0.00 H new ATOM 0 HG1 THR A 3 69.324 -5.270 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 3 68.102 -3.491 -14.213 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.028 -2.039 -13.764 1.00 0.00 H new ATOM 0 HG23 THR A 3 68.740 -2.415 -15.480 1.00 0.00 H new ATOM 50 N LYS A 4 70.062 -1.670 -16.592 1.00 0.00 N ATOM 51 CA LYS A 4 69.585 -0.493 -17.373 1.00 0.00 C ATOM 52 C LYS A 4 69.466 0.727 -16.456 1.00 0.00 C ATOM 53 O LYS A 4 70.393 1.498 -16.312 1.00 0.00 O ATOM 54 CB LYS A 4 68.216 -0.808 -17.981 1.00 0.00 C ATOM 55 CG LYS A 4 68.374 -1.103 -19.473 1.00 0.00 C ATOM 56 CD LYS A 4 67.197 -1.955 -19.953 1.00 0.00 C ATOM 57 CE LYS A 4 65.977 -1.059 -20.177 1.00 0.00 C ATOM 58 NZ LYS A 4 64.738 -1.813 -19.831 1.00 0.00 N ATOM 0 H LYS A 4 69.607 -2.554 -16.821 1.00 0.00 H new ATOM 0 HA LYS A 4 70.299 -0.276 -18.167 1.00 0.00 H new ATOM 0 HB2 LYS A 4 67.771 -1.665 -17.476 1.00 0.00 H new ATOM 0 HB3 LYS A 4 67.540 0.034 -17.836 1.00 0.00 H new ATOM 0 HG2 LYS A 4 68.415 -0.171 -20.036 1.00 0.00 H new ATOM 0 HG3 LYS A 4 69.313 -1.626 -19.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 67.459 -2.468 -20.878 1.00 0.00 H new ATOM 0 HD3 LYS A 4 66.966 -2.724 -19.216 1.00 0.00 H new ATOM 0 HE2 LYS A 4 66.053 -0.162 -19.563 1.00 0.00 H new ATOM 0 HE3 LYS A 4 65.938 -0.732 -21.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 63.908 -1.205 -19.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 64.665 -2.656 -20.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 64.776 -2.104 -18.833 1.00 0.00 H new ATOM 72 N GLU A 5 68.329 0.916 -15.839 1.00 0.00 N ATOM 73 CA GLU A 5 68.157 2.090 -14.946 1.00 0.00 C ATOM 74 C GLU A 5 68.566 1.730 -13.525 1.00 0.00 C ATOM 75 O GLU A 5 68.230 2.405 -12.573 1.00 0.00 O ATOM 76 CB GLU A 5 66.700 2.533 -14.959 1.00 0.00 C ATOM 77 CG GLU A 5 66.594 3.939 -15.548 1.00 0.00 C ATOM 78 CD GLU A 5 65.190 4.151 -16.118 1.00 0.00 C ATOM 79 OE1 GLU A 5 64.279 4.354 -15.333 1.00 0.00 O ATOM 80 OE2 GLU A 5 65.050 4.105 -17.329 1.00 0.00 O ATOM 0 H GLU A 5 67.515 0.306 -15.917 1.00 0.00 H new ATOM 0 HA GLU A 5 68.789 2.903 -15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 5 66.103 1.836 -15.547 1.00 0.00 H new ATOM 0 HB3 GLU A 5 66.297 2.521 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 5 66.802 4.683 -14.779 1.00 0.00 H new ATOM 0 HG3 GLU A 5 67.340 4.073 -16.331 1.00 0.00 H new ATOM 87 N GLU A 6 69.300 0.680 -13.389 1.00 0.00 N ATOM 88 CA GLU A 6 69.766 0.258 -12.042 1.00 0.00 C ATOM 89 C GLU A 6 71.044 1.004 -11.694 1.00 0.00 C ATOM 90 O GLU A 6 71.681 0.763 -10.688 1.00 0.00 O ATOM 91 CB GLU A 6 70.044 -1.236 -12.050 1.00 0.00 C ATOM 92 CG GLU A 6 68.770 -1.997 -11.676 1.00 0.00 C ATOM 93 CD GLU A 6 69.091 -3.485 -11.520 1.00 0.00 C ATOM 94 OE1 GLU A 6 70.252 -3.804 -11.325 1.00 0.00 O ATOM 95 OE2 GLU A 6 68.169 -4.281 -11.598 1.00 0.00 O ATOM 0 H GLU A 6 69.605 0.083 -14.158 1.00 0.00 H new ATOM 0 HA GLU A 6 68.997 0.484 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.389 -1.547 -13.036 1.00 0.00 H new ATOM 0 HB3 GLU A 6 70.841 -1.472 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 6 68.358 -1.604 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.011 -1.857 -12.445 1.00 0.00 H new ATOM 102 N LYS A 7 71.406 1.910 -12.533 1.00 0.00 N ATOM 103 CA LYS A 7 72.634 2.713 -12.309 1.00 0.00 C ATOM 104 C LYS A 7 72.549 4.019 -13.104 1.00 0.00 C ATOM 105 O LYS A 7 73.039 5.047 -12.680 1.00 0.00 O ATOM 106 CB LYS A 7 73.858 1.916 -12.766 1.00 0.00 C ATOM 107 CG LYS A 7 73.777 1.676 -14.275 1.00 0.00 C ATOM 108 CD LYS A 7 74.560 2.766 -15.009 1.00 0.00 C ATOM 109 CE LYS A 7 75.944 2.236 -15.387 1.00 0.00 C ATOM 110 NZ LYS A 7 76.607 3.193 -16.316 1.00 0.00 N ATOM 0 H LYS A 7 70.896 2.139 -13.386 1.00 0.00 H new ATOM 0 HA LYS A 7 72.725 2.942 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.771 2.459 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.903 0.964 -12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.183 0.695 -14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 7 72.736 1.680 -14.599 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.021 3.075 -15.904 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.657 3.647 -14.375 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.551 2.103 -14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.854 1.258 -15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.548 2.832 -16.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.031 3.299 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.706 4.117 -15.850 1.00 0.00 H new ATOM 124 N GLN A 8 71.931 3.990 -14.256 1.00 0.00 N ATOM 125 CA GLN A 8 71.820 5.232 -15.071 1.00 0.00 C ATOM 126 C GLN A 8 71.219 6.352 -14.220 1.00 0.00 C ATOM 127 O GLN A 8 71.366 7.520 -14.520 1.00 0.00 O ATOM 128 CB GLN A 8 70.916 4.969 -16.278 1.00 0.00 C ATOM 129 CG GLN A 8 71.778 4.743 -17.521 1.00 0.00 C ATOM 130 CD GLN A 8 70.913 4.878 -18.775 1.00 0.00 C ATOM 131 OE1 GLN A 8 69.889 5.532 -18.753 1.00 0.00 O ATOM 132 NE2 GLN A 8 71.284 4.284 -19.876 1.00 0.00 N ATOM 0 H GLN A 8 71.500 3.161 -14.665 1.00 0.00 H new ATOM 0 HA GLN A 8 72.811 5.530 -15.414 1.00 0.00 H new ATOM 0 HB2 GLN A 8 70.289 4.096 -16.093 1.00 0.00 H new ATOM 0 HB3 GLN A 8 70.246 5.815 -16.435 1.00 0.00 H new ATOM 0 HG2 GLN A 8 72.592 5.467 -17.548 1.00 0.00 H new ATOM 0 HG3 GLN A 8 72.233 3.753 -17.485 1.00 0.00 H new ATOM 0 HE21 GLN A 8 72.143 3.735 -19.895 1.00 0.00 H new ATOM 0 HE22 GLN A 8 70.715 4.369 -20.718 1.00 0.00 H new ATOM 141 N LYS A 9 70.542 6.006 -13.159 1.00 0.00 N ATOM 142 CA LYS A 9 69.934 7.046 -12.294 1.00 0.00 C ATOM 143 C LYS A 9 70.428 6.874 -10.856 1.00 0.00 C ATOM 144 O LYS A 9 70.211 7.720 -10.010 1.00 0.00 O ATOM 145 CB LYS A 9 68.409 6.914 -12.330 1.00 0.00 C ATOM 146 CG LYS A 9 67.887 7.382 -13.689 1.00 0.00 C ATOM 147 CD LYS A 9 66.796 8.434 -13.483 1.00 0.00 C ATOM 148 CE LYS A 9 67.020 9.600 -14.447 1.00 0.00 C ATOM 149 NZ LYS A 9 65.944 10.615 -14.260 1.00 0.00 N ATOM 0 H LYS A 9 70.386 5.044 -12.857 1.00 0.00 H new ATOM 0 HA LYS A 9 70.222 8.032 -12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.119 5.878 -12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.963 7.509 -11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.703 7.800 -14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.489 6.535 -14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 9 65.814 7.992 -13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.811 8.792 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.996 10.052 -14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 9 67.020 9.240 -15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.097 11.408 -14.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 65.019 10.180 -14.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.965 10.966 -13.281 1.00 0.00 H new ATOM 163 N VAL A 10 71.092 5.788 -10.569 1.00 0.00 N ATOM 164 CA VAL A 10 71.598 5.567 -9.189 1.00 0.00 C ATOM 165 C VAL A 10 72.717 6.561 -8.892 1.00 0.00 C ATOM 166 O VAL A 10 72.622 7.372 -7.993 1.00 0.00 O ATOM 167 CB VAL A 10 72.135 4.140 -9.063 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.586 3.890 -7.623 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.030 3.146 -9.428 1.00 0.00 C ATOM 0 H VAL A 10 71.305 5.044 -11.233 1.00 0.00 H new ATOM 0 HA VAL A 10 70.785 5.712 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 10 72.981 4.010 -9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 10 72.969 2.873 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.372 4.598 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.739 4.020 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.412 2.129 -9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.185 3.277 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.706 3.323 -10.453 1.00 0.00 H new ATOM 179 N ILE A 11 73.779 6.500 -9.642 1.00 0.00 N ATOM 180 CA ILE A 11 74.910 7.436 -9.410 1.00 0.00 C ATOM 181 C ILE A 11 74.509 8.825 -9.877 1.00 0.00 C ATOM 182 O ILE A 11 74.722 9.815 -9.210 1.00 0.00 O ATOM 183 CB ILE A 11 76.153 6.949 -10.168 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.258 7.541 -11.589 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.130 5.425 -10.254 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.326 6.798 -12.539 1.00 0.00 C ATOM 0 H ILE A 11 73.913 5.840 -10.408 1.00 0.00 H new ATOM 0 HA ILE A 11 75.149 7.472 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 11 77.025 7.292 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.001 8.600 -11.570 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.285 7.469 -11.946 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.012 5.078 -10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.129 5.004 -9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.233 5.104 -10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.409 7.225 -13.538 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.603 5.744 -12.570 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.298 6.893 -12.188 1.00 0.00 H new ATOM 198 N GLN A 12 73.933 8.881 -11.030 1.00 0.00 N ATOM 199 CA GLN A 12 73.484 10.187 -11.601 1.00 0.00 C ATOM 200 C GLN A 12 72.933 11.042 -10.463 1.00 0.00 C ATOM 201 O GLN A 12 73.094 12.245 -10.429 1.00 0.00 O ATOM 202 CB GLN A 12 72.389 9.946 -12.642 1.00 0.00 C ATOM 203 CG GLN A 12 72.845 10.489 -13.999 1.00 0.00 C ATOM 204 CD GLN A 12 71.692 11.244 -14.661 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.549 10.843 -14.561 1.00 0.00 O ATOM 206 NE2 GLN A 12 71.944 12.331 -15.339 1.00 0.00 N ATOM 0 H GLN A 12 73.746 8.070 -11.620 1.00 0.00 H new ATOM 0 HA GLN A 12 74.320 10.694 -12.083 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.174 8.880 -12.719 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.466 10.436 -12.334 1.00 0.00 H new ATOM 0 HG2 GLN A 12 73.700 11.152 -13.868 1.00 0.00 H new ATOM 0 HG3 GLN A 12 73.172 9.670 -14.639 1.00 0.00 H new ATOM 0 HE21 GLN A 12 72.903 12.669 -15.424 1.00 0.00 H new ATOM 0 HE22 GLN A 12 71.182 12.843 -15.784 1.00 0.00 H new ATOM 215 N GLU A 13 72.312 10.404 -9.511 1.00 0.00 N ATOM 216 CA GLU A 13 71.775 11.136 -8.342 1.00 0.00 C ATOM 217 C GLU A 13 72.854 11.164 -7.259 1.00 0.00 C ATOM 218 O GLU A 13 73.044 12.148 -6.574 1.00 0.00 O ATOM 219 CB GLU A 13 70.529 10.422 -7.812 1.00 0.00 C ATOM 220 CG GLU A 13 69.328 11.368 -7.886 1.00 0.00 C ATOM 221 CD GLU A 13 68.533 11.284 -6.582 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.418 10.191 -6.050 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.053 12.313 -6.137 1.00 0.00 O ATOM 0 H GLU A 13 72.154 9.396 -9.497 1.00 0.00 H new ATOM 0 HA GLU A 13 71.501 12.152 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.335 9.524 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.690 10.102 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.666 12.391 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.692 11.101 -8.730 1.00 0.00 H new ATOM 230 N PHE A 14 73.567 10.078 -7.111 1.00 0.00 N ATOM 231 CA PHE A 14 74.641 10.010 -6.092 1.00 0.00 C ATOM 232 C PHE A 14 75.954 10.519 -6.691 1.00 0.00 C ATOM 233 O PHE A 14 76.455 11.561 -6.316 1.00 0.00 O ATOM 234 CB PHE A 14 74.817 8.560 -5.640 1.00 0.00 C ATOM 235 CG PHE A 14 73.718 8.194 -4.671 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.356 9.082 -3.651 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.059 6.964 -4.793 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.337 8.741 -2.754 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.040 6.622 -3.897 1.00 0.00 C ATOM 240 CZ PHE A 14 71.678 7.511 -2.876 1.00 0.00 C ATOM 0 H PHE A 14 73.445 9.228 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 14 74.370 10.631 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.792 7.894 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.790 8.432 -5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 14 73.863 10.031 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.338 6.279 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.059 9.427 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.533 5.673 -3.992 1.00 0.00 H new ATOM 0 HZ PHE A 14 70.892 7.248 -2.184 1.00 0.00 H new ATOM 250 N ALA A 15 76.516 9.793 -7.620 1.00 0.00 N ATOM 251 CA ALA A 15 77.795 10.238 -8.238 1.00 0.00 C ATOM 252 C ALA A 15 77.589 11.577 -8.939 1.00 0.00 C ATOM 253 O ALA A 15 76.804 11.693 -9.860 1.00 0.00 O ATOM 254 CB ALA A 15 78.258 9.206 -9.268 1.00 0.00 C ATOM 0 H ALA A 15 76.144 8.913 -7.976 1.00 0.00 H new ATOM 0 HA ALA A 15 78.548 10.342 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.194 9.536 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.410 8.245 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.500 9.101 -10.044 1.00 0.00 H new ATOM 260 N ARG A 16 78.298 12.588 -8.527 1.00 0.00 N ATOM 261 CA ARG A 16 78.148 13.911 -9.189 1.00 0.00 C ATOM 262 C ARG A 16 79.199 14.029 -10.287 1.00 0.00 C ATOM 263 O ARG A 16 79.686 15.100 -10.591 1.00 0.00 O ATOM 264 CB ARG A 16 78.340 15.031 -8.164 1.00 0.00 C ATOM 265 CG ARG A 16 79.539 14.705 -7.270 1.00 0.00 C ATOM 266 CD ARG A 16 79.045 14.233 -5.902 1.00 0.00 C ATOM 267 NE ARG A 16 78.534 15.399 -5.128 1.00 0.00 N ATOM 268 CZ ARG A 16 79.188 15.826 -4.083 1.00 0.00 C ATOM 269 NH1 ARG A 16 79.013 15.251 -2.924 1.00 0.00 N ATOM 270 NH2 ARG A 16 80.016 16.829 -4.194 1.00 0.00 N ATOM 0 H ARG A 16 78.973 12.556 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 16 77.150 13.999 -9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.500 15.981 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.441 15.142 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.151 13.932 -7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.171 15.586 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.256 13.491 -6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.856 13.749 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 16 77.673 15.864 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 16 78.365 14.468 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 16 79.524 15.585 -2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 16 80.152 17.280 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 16 80.527 17.162 -3.376 1.00 0.00 H new ATOM 284 N PHE A 17 79.555 12.925 -10.877 1.00 0.00 N ATOM 285 CA PHE A 17 80.579 12.946 -11.955 1.00 0.00 C ATOM 286 C PHE A 17 80.612 11.575 -12.625 1.00 0.00 C ATOM 287 O PHE A 17 80.035 10.629 -12.125 1.00 0.00 O ATOM 288 CB PHE A 17 81.947 13.246 -11.334 1.00 0.00 C ATOM 289 CG PHE A 17 82.228 14.728 -11.413 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.122 15.399 -12.638 1.00 0.00 C ATOM 291 CD2 PHE A 17 82.598 15.431 -10.261 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.384 16.772 -12.709 1.00 0.00 C ATOM 293 CE2 PHE A 17 82.860 16.804 -10.332 1.00 0.00 C ATOM 294 CZ PHE A 17 82.753 17.475 -11.556 1.00 0.00 C ATOM 0 H PHE A 17 79.178 12.003 -10.657 1.00 0.00 H new ATOM 0 HA PHE A 17 80.338 13.711 -12.693 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.965 12.917 -10.295 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.725 12.690 -11.858 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.838 14.857 -13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.681 14.914 -9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.301 17.289 -13.653 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.145 17.346 -9.442 1.00 0.00 H new ATOM 0 HZ PHE A 17 82.955 18.535 -11.611 1.00 0.00 H new ATOM 304 N PRO A 18 81.303 11.499 -13.731 1.00 0.00 N ATOM 305 CA PRO A 18 81.447 10.243 -14.482 1.00 0.00 C ATOM 306 C PRO A 18 82.422 9.310 -13.757 1.00 0.00 C ATOM 307 O PRO A 18 82.725 8.228 -14.219 1.00 0.00 O ATOM 308 CB PRO A 18 81.996 10.695 -15.838 1.00 0.00 C ATOM 309 CG PRO A 18 82.648 12.078 -15.604 1.00 0.00 C ATOM 310 CD PRO A 18 82.004 12.652 -14.332 1.00 0.00 C ATOM 0 HA PRO A 18 80.517 9.683 -14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 18 82.726 9.981 -16.220 1.00 0.00 H new ATOM 0 HB3 PRO A 18 81.198 10.762 -16.578 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.727 11.983 -15.484 1.00 0.00 H new ATOM 0 HG3 PRO A 18 82.479 12.736 -16.456 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.754 13.060 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.312 13.461 -14.566 1.00 0.00 H new ATOM 318 N GLY A 19 82.908 9.723 -12.614 1.00 0.00 N ATOM 319 CA GLY A 19 83.851 8.867 -11.846 1.00 0.00 C ATOM 320 C GLY A 19 83.383 8.774 -10.390 1.00 0.00 C ATOM 321 O GLY A 19 83.969 8.077 -9.587 1.00 0.00 O ATOM 0 H GLY A 19 82.689 10.620 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.899 7.872 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.857 9.284 -11.890 1.00 0.00 H new ATOM 325 N ASP A 20 82.326 9.467 -10.040 1.00 0.00 N ATOM 326 CA ASP A 20 81.832 9.405 -8.640 1.00 0.00 C ATOM 327 C ASP A 20 80.812 8.280 -8.511 1.00 0.00 C ATOM 328 O ASP A 20 80.051 8.209 -7.567 1.00 0.00 O ATOM 329 CB ASP A 20 81.191 10.739 -8.252 1.00 0.00 C ATOM 330 CG ASP A 20 81.272 10.923 -6.736 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.376 11.057 -6.234 1.00 0.00 O ATOM 332 OD2 ASP A 20 80.229 10.927 -6.102 1.00 0.00 O ATOM 0 H ASP A 20 81.790 10.069 -10.665 1.00 0.00 H new ATOM 0 HA ASP A 20 82.670 9.211 -7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.701 11.560 -8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.151 10.763 -8.577 1.00 0.00 H new ATOM 337 N THR A 21 80.818 7.395 -9.455 1.00 0.00 N ATOM 338 CA THR A 21 79.877 6.239 -9.422 1.00 0.00 C ATOM 339 C THR A 21 80.544 5.096 -8.664 1.00 0.00 C ATOM 340 O THR A 21 79.892 4.221 -8.130 1.00 0.00 O ATOM 341 CB THR A 21 79.556 5.788 -10.850 1.00 0.00 C ATOM 342 OG1 THR A 21 79.085 4.447 -10.826 1.00 0.00 O ATOM 343 CG2 THR A 21 80.814 5.870 -11.712 1.00 0.00 C ATOM 0 H THR A 21 81.441 7.418 -10.262 1.00 0.00 H new ATOM 0 HA THR A 21 78.950 6.529 -8.928 1.00 0.00 H new ATOM 0 HB THR A 21 78.789 6.438 -11.271 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.877 4.157 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.581 5.548 -12.727 1.00 0.00 H new ATOM 0 HG22 THR A 21 81.176 6.898 -11.731 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.584 5.222 -11.294 1.00 0.00 H new ATOM 351 N GLY A 22 81.845 5.113 -8.600 1.00 0.00 N ATOM 352 CA GLY A 22 82.573 4.048 -7.862 1.00 0.00 C ATOM 353 C GLY A 22 83.119 4.636 -6.560 1.00 0.00 C ATOM 354 O GLY A 22 83.845 3.991 -5.831 1.00 0.00 O ATOM 0 H GLY A 22 82.438 5.823 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 22 81.906 3.213 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.388 3.657 -8.471 1.00 0.00 H new ATOM 358 N SER A 23 82.772 5.863 -6.265 1.00 0.00 N ATOM 359 CA SER A 23 83.268 6.499 -5.012 1.00 0.00 C ATOM 360 C SER A 23 82.862 5.643 -3.810 1.00 0.00 C ATOM 361 O SER A 23 82.568 4.472 -3.940 1.00 0.00 O ATOM 362 CB SER A 23 82.658 7.894 -4.873 1.00 0.00 C ATOM 363 OG SER A 23 81.427 7.800 -4.168 1.00 0.00 O ATOM 0 H SER A 23 82.167 6.450 -6.839 1.00 0.00 H new ATOM 0 HA SER A 23 84.354 6.579 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.345 8.553 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.494 8.332 -5.858 1.00 0.00 H new ATOM 0 HG SER A 23 81.034 8.693 -4.076 1.00 0.00 H new ATOM 369 N THR A 24 82.843 6.218 -2.638 1.00 0.00 N ATOM 370 CA THR A 24 82.457 5.433 -1.433 1.00 0.00 C ATOM 371 C THR A 24 80.999 5.725 -1.074 1.00 0.00 C ATOM 372 O THR A 24 80.297 4.876 -0.566 1.00 0.00 O ATOM 373 CB THR A 24 83.357 5.820 -0.258 1.00 0.00 C ATOM 374 OG1 THR A 24 84.658 5.291 -0.466 1.00 0.00 O ATOM 375 CG2 THR A 24 82.773 5.255 1.038 1.00 0.00 C ATOM 0 H THR A 24 83.078 7.195 -2.464 1.00 0.00 H new ATOM 0 HA THR A 24 82.573 4.370 -1.645 1.00 0.00 H new ATOM 0 HB THR A 24 83.416 6.906 -0.185 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.236 5.540 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.413 5.530 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.774 5.663 1.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.714 4.169 0.968 1.00 0.00 H new ATOM 383 N GLU A 25 80.537 6.919 -1.328 1.00 0.00 N ATOM 384 CA GLU A 25 79.127 7.257 -0.998 1.00 0.00 C ATOM 385 C GLU A 25 78.189 6.463 -1.907 1.00 0.00 C ATOM 386 O GLU A 25 77.289 5.786 -1.452 1.00 0.00 O ATOM 387 CB GLU A 25 78.907 8.752 -1.219 1.00 0.00 C ATOM 388 CG GLU A 25 79.566 9.540 -0.088 1.00 0.00 C ATOM 389 CD GLU A 25 78.958 9.119 1.250 1.00 0.00 C ATOM 390 OE1 GLU A 25 77.906 9.635 1.590 1.00 0.00 O ATOM 391 OE2 GLU A 25 79.555 8.287 1.914 1.00 0.00 O ATOM 0 H GLU A 25 81.077 7.674 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 25 78.921 7.006 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.327 9.054 -2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 25 77.840 8.971 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.641 9.360 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 25 79.423 10.609 -0.244 1.00 0.00 H new ATOM 398 N VAL A 26 78.396 6.542 -3.191 1.00 0.00 N ATOM 399 CA VAL A 26 77.523 5.796 -4.138 1.00 0.00 C ATOM 400 C VAL A 26 77.491 4.319 -3.746 1.00 0.00 C ATOM 401 O VAL A 26 76.472 3.665 -3.845 1.00 0.00 O ATOM 402 CB VAL A 26 78.075 5.940 -5.557 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.093 5.322 -6.554 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.262 7.424 -5.880 1.00 0.00 C ATOM 0 H VAL A 26 79.135 7.093 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 26 76.512 6.201 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 26 79.034 5.426 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.487 5.425 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 76.957 4.265 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.133 5.835 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.655 7.530 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.302 7.936 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.962 7.865 -5.170 1.00 0.00 H new ATOM 414 N GLN A 27 78.596 3.786 -3.297 1.00 0.00 N ATOM 415 CA GLN A 27 78.610 2.356 -2.898 1.00 0.00 C ATOM 416 C GLN A 27 77.774 2.188 -1.634 1.00 0.00 C ATOM 417 O GLN A 27 77.002 1.260 -1.508 1.00 0.00 O ATOM 418 CB GLN A 27 80.049 1.908 -2.631 1.00 0.00 C ATOM 419 CG GLN A 27 80.737 1.581 -3.958 1.00 0.00 C ATOM 420 CD GLN A 27 81.681 0.392 -3.766 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.537 -0.624 -4.416 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.648 0.477 -2.893 1.00 0.00 N ATOM 0 H GLN A 27 79.483 4.279 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 27 78.193 1.745 -3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.595 2.695 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.054 1.033 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 27 79.991 1.348 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.294 2.447 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.769 1.330 -2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.283 -0.310 -2.757 1.00 0.00 H new ATOM 431 N VAL A 28 77.904 3.088 -0.704 1.00 0.00 N ATOM 432 CA VAL A 28 77.095 2.983 0.536 1.00 0.00 C ATOM 433 C VAL A 28 75.644 2.748 0.128 1.00 0.00 C ATOM 434 O VAL A 28 74.907 2.055 0.795 1.00 0.00 O ATOM 435 CB VAL A 28 77.217 4.288 1.330 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.162 4.326 2.438 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.611 4.374 1.956 1.00 0.00 C ATOM 0 H VAL A 28 78.534 3.889 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 28 77.444 2.161 1.161 1.00 0.00 H new ATOM 0 HB VAL A 28 77.062 5.131 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.255 5.257 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.168 4.267 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.311 3.482 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 28 78.699 5.302 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 28 78.763 3.526 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.365 4.355 1.169 1.00 0.00 H new ATOM 447 N ALA A 29 75.229 3.305 -0.979 1.00 0.00 N ATOM 448 CA ALA A 29 73.833 3.083 -1.429 1.00 0.00 C ATOM 449 C ALA A 29 73.690 1.624 -1.849 1.00 0.00 C ATOM 450 O ALA A 29 72.731 0.960 -1.507 1.00 0.00 O ATOM 451 CB ALA A 29 73.512 3.997 -2.611 1.00 0.00 C ATOM 0 H ALA A 29 75.795 3.899 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 29 73.140 3.310 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.485 3.827 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.629 5.038 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.192 3.779 -3.434 1.00 0.00 H new ATOM 457 N LEU A 30 74.646 1.109 -2.574 1.00 0.00 N ATOM 458 CA LEU A 30 74.566 -0.309 -2.989 1.00 0.00 C ATOM 459 C LEU A 30 74.723 -1.189 -1.743 1.00 0.00 C ATOM 460 O LEU A 30 74.474 -2.377 -1.771 1.00 0.00 O ATOM 461 CB LEU A 30 75.673 -0.608 -4.015 1.00 0.00 C ATOM 462 CG LEU A 30 76.959 -1.060 -3.314 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.002 -2.589 -3.266 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.171 -0.542 -4.090 1.00 0.00 C ATOM 0 H LEU A 30 75.474 1.612 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 30 73.604 -0.518 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.337 -1.384 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.872 0.282 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 30 76.979 -0.663 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.916 -2.912 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.138 -2.960 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.983 -2.986 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.086 -0.863 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.151 -0.940 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.141 0.547 -4.127 1.00 0.00 H new ATOM 476 N LEU A 31 75.138 -0.604 -0.647 1.00 0.00 N ATOM 477 CA LEU A 31 75.314 -1.389 0.597 1.00 0.00 C ATOM 478 C LEU A 31 73.926 -1.772 1.120 1.00 0.00 C ATOM 479 O LEU A 31 73.731 -2.811 1.716 1.00 0.00 O ATOM 480 CB LEU A 31 76.070 -0.536 1.637 1.00 0.00 C ATOM 481 CG LEU A 31 75.082 0.194 2.548 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.643 -0.743 3.674 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.744 1.433 3.150 1.00 0.00 C ATOM 0 H LEU A 31 75.361 0.388 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 31 75.894 -2.292 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.722 -1.173 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.708 0.187 1.129 1.00 0.00 H new ATOM 0 HG LEU A 31 74.215 0.500 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.939 -0.225 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.163 -1.624 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.514 -1.049 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.033 1.947 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.615 1.133 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.056 2.104 2.350 1.00 0.00 H new ATOM 495 N THR A 32 72.963 -0.917 0.898 1.00 0.00 N ATOM 496 CA THR A 32 71.583 -1.191 1.376 1.00 0.00 C ATOM 497 C THR A 32 70.956 -2.302 0.527 1.00 0.00 C ATOM 498 O THR A 32 70.334 -3.209 1.039 1.00 0.00 O ATOM 499 CB THR A 32 70.759 0.112 1.284 1.00 0.00 C ATOM 500 OG1 THR A 32 69.932 0.225 2.433 1.00 0.00 O ATOM 501 CG2 THR A 32 69.881 0.125 0.025 1.00 0.00 C ATOM 0 H THR A 32 73.078 -0.034 0.401 1.00 0.00 H new ATOM 0 HA THR A 32 71.598 -1.527 2.413 1.00 0.00 H new ATOM 0 HB THR A 32 71.450 0.953 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.409 1.052 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.313 1.054 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.513 0.050 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.193 -0.720 0.052 1.00 0.00 H new ATOM 509 N LEU A 33 71.113 -2.233 -0.767 1.00 0.00 N ATOM 510 CA LEU A 33 70.522 -3.282 -1.645 1.00 0.00 C ATOM 511 C LEU A 33 70.996 -4.666 -1.191 1.00 0.00 C ATOM 512 O LEU A 33 70.205 -5.517 -0.834 1.00 0.00 O ATOM 513 CB LEU A 33 70.963 -3.045 -3.091 1.00 0.00 C ATOM 514 CG LEU A 33 69.865 -3.520 -4.044 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.070 -2.316 -4.551 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.501 -4.246 -5.231 1.00 0.00 C ATOM 0 H LEU A 33 71.624 -1.497 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 33 69.435 -3.233 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.166 -1.986 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.891 -3.581 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 33 69.196 -4.199 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.288 -2.656 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 68.617 -1.797 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.738 -1.635 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.720 -4.585 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.170 -3.566 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.067 -5.105 -4.871 1.00 0.00 H new ATOM 528 N ARG A 34 72.279 -4.900 -1.208 1.00 0.00 N ATOM 529 CA ARG A 34 72.804 -6.230 -0.782 1.00 0.00 C ATOM 530 C ARG A 34 72.205 -6.616 0.572 1.00 0.00 C ATOM 531 O ARG A 34 72.168 -7.774 0.937 1.00 0.00 O ATOM 532 CB ARG A 34 74.328 -6.159 -0.660 1.00 0.00 C ATOM 533 CG ARG A 34 74.969 -6.737 -1.924 1.00 0.00 C ATOM 534 CD ARG A 34 74.636 -5.842 -3.119 1.00 0.00 C ATOM 535 NE ARG A 34 74.990 -6.551 -4.381 1.00 0.00 N ATOM 536 CZ ARG A 34 74.070 -7.198 -5.044 1.00 0.00 C ATOM 537 NH1 ARG A 34 73.265 -6.552 -5.842 1.00 0.00 N ATOM 538 NH2 ARG A 34 73.958 -8.492 -4.910 1.00 0.00 N ATOM 0 H ARG A 34 72.988 -4.227 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 34 72.528 -6.979 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.644 -5.125 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.660 -6.716 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.049 -6.806 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.603 -7.749 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.575 -5.591 -3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.186 -4.904 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 34 75.950 -6.531 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.354 -5.541 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 34 72.546 -7.058 -6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.589 -8.997 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 34 73.239 -8.998 -5.428 1.00 0.00 H new ATOM 552 N ILE A 35 71.742 -5.655 1.322 1.00 0.00 N ATOM 553 CA ILE A 35 71.155 -5.951 2.644 1.00 0.00 C ATOM 554 C ILE A 35 69.726 -6.471 2.450 1.00 0.00 C ATOM 555 O ILE A 35 69.317 -7.447 3.046 1.00 0.00 O ATOM 556 CB ILE A 35 71.170 -4.646 3.456 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.278 -4.717 4.506 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.830 -4.405 4.147 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.510 -3.975 3.987 1.00 0.00 C ATOM 0 H ILE A 35 71.749 -4.668 1.066 1.00 0.00 H new ATOM 0 HA ILE A 35 71.720 -6.716 3.176 1.00 0.00 H new ATOM 0 HB ILE A 35 71.352 -3.819 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.938 -4.273 5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.528 -5.756 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.874 -3.474 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.041 -4.337 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.616 -5.231 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.304 -4.022 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.852 -4.440 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.253 -2.933 3.796 1.00 0.00 H new ATOM 571 N ASN A 36 68.967 -5.806 1.629 1.00 0.00 N ATOM 572 CA ASN A 36 67.558 -6.230 1.389 1.00 0.00 C ATOM 573 C ASN A 36 67.527 -7.635 0.779 1.00 0.00 C ATOM 574 O ASN A 36 66.650 -8.424 1.071 1.00 0.00 O ATOM 575 CB ASN A 36 66.883 -5.247 0.428 1.00 0.00 C ATOM 576 CG ASN A 36 67.371 -3.826 0.716 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.585 -3.459 1.949 1.00 0.00 O flip ATOM 578 ND2 ASN A 36 67.558 -3.040 -0.192 1.00 0.00 N flip ATOM 0 H ASN A 36 69.262 -4.980 1.109 1.00 0.00 H new ATOM 0 HA ASN A 36 67.026 -6.240 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.110 -5.518 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.800 -5.300 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.391 -3.326 -1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.882 -2.094 0.011 1.00 0.00 H new ATOM 585 N ARG A 37 68.464 -7.957 -0.073 1.00 0.00 N ATOM 586 CA ARG A 37 68.460 -9.309 -0.696 1.00 0.00 C ATOM 587 C ARG A 37 69.128 -10.318 0.231 1.00 0.00 C ATOM 588 O ARG A 37 69.392 -11.445 -0.136 1.00 0.00 O ATOM 589 CB ARG A 37 69.200 -9.265 -2.031 1.00 0.00 C ATOM 590 CG ARG A 37 68.245 -9.660 -3.160 1.00 0.00 C ATOM 591 CD ARG A 37 68.628 -8.911 -4.438 1.00 0.00 C ATOM 592 NE ARG A 37 67.794 -9.403 -5.570 1.00 0.00 N ATOM 593 CZ ARG A 37 68.183 -9.208 -6.800 1.00 0.00 C ATOM 594 NH1 ARG A 37 68.291 -7.994 -7.266 1.00 0.00 N ATOM 595 NH2 ARG A 37 68.465 -10.227 -7.565 1.00 0.00 N ATOM 0 H ARG A 37 69.227 -7.345 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 37 67.428 -9.616 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.594 -8.264 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.053 -9.943 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.290 -10.736 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.218 -9.424 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.481 -7.840 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.685 -9.062 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 37 66.919 -9.892 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.071 -7.197 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 37 68.595 -7.842 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 37 68.381 -11.176 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 37 68.769 -10.074 -8.527 1.00 0.00 H new ATOM 609 N LEU A 38 69.385 -9.917 1.430 1.00 0.00 N ATOM 610 CA LEU A 38 70.020 -10.828 2.413 1.00 0.00 C ATOM 611 C LEU A 38 68.928 -11.552 3.203 1.00 0.00 C ATOM 612 O LEU A 38 69.098 -12.672 3.640 1.00 0.00 O ATOM 613 CB LEU A 38 70.896 -10.021 3.373 1.00 0.00 C ATOM 614 CG LEU A 38 72.205 -10.773 3.625 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.324 -9.770 3.909 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.034 -11.700 4.830 1.00 0.00 C ATOM 0 H LEU A 38 69.181 -8.982 1.782 1.00 0.00 H new ATOM 0 HA LEU A 38 70.640 -11.556 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.105 -9.037 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.370 -9.860 4.314 1.00 0.00 H new ATOM 0 HG LEU A 38 72.461 -11.362 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.256 -10.306 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.445 -9.108 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.069 -9.180 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 72.965 -12.237 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.778 -11.110 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 38 71.236 -12.415 4.629 1.00 0.00 H new ATOM 628 N SER A 39 67.808 -10.908 3.392 1.00 0.00 N ATOM 629 CA SER A 39 66.699 -11.540 4.159 1.00 0.00 C ATOM 630 C SER A 39 65.858 -12.419 3.228 1.00 0.00 C ATOM 631 O SER A 39 65.284 -13.405 3.645 1.00 0.00 O ATOM 632 CB SER A 39 65.816 -10.445 4.759 1.00 0.00 C ATOM 633 OG SER A 39 64.878 -11.033 5.652 1.00 0.00 O ATOM 0 H SER A 39 67.614 -9.968 3.047 1.00 0.00 H new ATOM 0 HA SER A 39 67.115 -12.158 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 39 66.430 -9.716 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.294 -9.908 3.967 1.00 0.00 H new ATOM 0 HG SER A 39 64.312 -10.333 6.039 1.00 0.00 H new ATOM 639 N GLU A 40 65.776 -12.069 1.973 1.00 0.00 N ATOM 640 CA GLU A 40 64.970 -12.882 1.026 1.00 0.00 C ATOM 641 C GLU A 40 65.844 -13.955 0.393 1.00 0.00 C ATOM 642 O GLU A 40 65.534 -14.503 -0.646 1.00 0.00 O ATOM 643 CB GLU A 40 64.406 -11.982 -0.064 1.00 0.00 C ATOM 644 CG GLU A 40 62.900 -11.807 0.139 1.00 0.00 C ATOM 645 CD GLU A 40 62.646 -10.646 1.103 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.516 -9.799 1.222 1.00 0.00 O ATOM 647 OE2 GLU A 40 61.585 -10.623 1.705 1.00 0.00 O ATOM 0 H GLU A 40 66.234 -11.254 1.565 1.00 0.00 H new ATOM 0 HA GLU A 40 64.152 -13.357 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 40 64.901 -11.011 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 40 64.602 -12.415 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.414 -11.613 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 40 62.467 -12.725 0.536 1.00 0.00 H new ATOM 654 N HIS A 41 66.932 -14.248 1.020 1.00 0.00 N ATOM 655 CA HIS A 41 67.855 -15.281 0.487 1.00 0.00 C ATOM 656 C HIS A 41 67.476 -16.650 1.052 1.00 0.00 C ATOM 657 O HIS A 41 66.880 -17.468 0.381 1.00 0.00 O ATOM 658 CB HIS A 41 69.291 -14.940 0.890 1.00 0.00 C ATOM 659 CG HIS A 41 70.184 -15.020 -0.319 1.00 0.00 C ATOM 660 ND1 HIS A 41 69.957 -15.466 -1.597 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 71.505 -14.604 -0.292 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 71.118 -15.330 -2.353 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 72.019 -14.805 -1.518 1.00 0.00 N flip ATOM 0 H HIS A 41 67.231 -13.813 1.893 1.00 0.00 H new ATOM 0 HA HIS A 41 67.780 -15.307 -0.600 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.331 -13.939 1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 41 69.638 -15.631 1.658 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.027 -14.193 0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 41 71.260 -15.592 -3.391 1.00 0.00 H new ATOM 0 HE2 HIS A 41 72.980 -14.584 -1.779 1.00 0.00 H new ATOM 671 N LEU A 42 67.821 -16.905 2.282 1.00 0.00 N ATOM 672 CA LEU A 42 67.493 -18.213 2.902 1.00 0.00 C ATOM 673 C LEU A 42 65.989 -18.293 3.177 1.00 0.00 C ATOM 674 O LEU A 42 65.483 -19.306 3.617 1.00 0.00 O ATOM 675 CB LEU A 42 68.254 -18.342 4.218 1.00 0.00 C ATOM 676 CG LEU A 42 69.727 -18.638 3.931 1.00 0.00 C ATOM 677 CD1 LEU A 42 70.558 -17.377 4.179 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.211 -19.756 4.855 1.00 0.00 C ATOM 0 H LEU A 42 68.321 -16.255 2.888 1.00 0.00 H new ATOM 0 HA LEU A 42 67.777 -19.019 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.163 -17.421 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.823 -19.140 4.822 1.00 0.00 H new ATOM 0 HG LEU A 42 69.840 -18.950 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.608 -17.587 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.213 -16.579 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.446 -17.066 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.261 -19.968 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.099 -19.444 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 42 69.619 -20.654 4.680 1.00 0.00 H new ATOM 690 N LYS A 43 65.269 -17.231 2.922 1.00 0.00 N ATOM 691 CA LYS A 43 63.799 -17.246 3.170 1.00 0.00 C ATOM 692 C LYS A 43 63.072 -17.862 1.977 1.00 0.00 C ATOM 693 O LYS A 43 61.876 -17.722 1.812 1.00 0.00 O ATOM 694 CB LYS A 43 63.304 -15.821 3.387 1.00 0.00 C ATOM 695 CG LYS A 43 63.025 -15.594 4.875 1.00 0.00 C ATOM 696 CD LYS A 43 61.564 -15.182 5.064 1.00 0.00 C ATOM 697 CE LYS A 43 61.280 -14.975 6.553 1.00 0.00 C ATOM 698 NZ LYS A 43 61.961 -13.735 7.022 1.00 0.00 N ATOM 0 H LYS A 43 65.637 -16.354 2.553 1.00 0.00 H new ATOM 0 HA LYS A 43 63.595 -17.844 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.050 -15.109 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 43 62.398 -15.648 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.233 -16.504 5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.686 -14.820 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.360 -14.264 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 60.904 -15.949 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.206 -14.899 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.632 -15.834 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.585 -13.463 7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 62.984 -13.908 7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 61.790 -12.967 6.342 1.00 0.00 H new ATOM 712 N VAL A 44 63.798 -18.543 1.158 1.00 0.00 N ATOM 713 CA VAL A 44 63.214 -19.199 -0.035 1.00 0.00 C ATOM 714 C VAL A 44 64.170 -20.304 -0.482 1.00 0.00 C ATOM 715 O VAL A 44 63.765 -21.389 -0.849 1.00 0.00 O ATOM 716 CB VAL A 44 63.055 -18.169 -1.152 1.00 0.00 C ATOM 717 CG1 VAL A 44 62.798 -18.884 -2.479 1.00 0.00 C ATOM 718 CG2 VAL A 44 61.875 -17.248 -0.832 1.00 0.00 C ATOM 0 H VAL A 44 64.803 -18.679 1.265 1.00 0.00 H new ATOM 0 HA VAL A 44 62.236 -19.620 0.198 1.00 0.00 H new ATOM 0 HB VAL A 44 63.968 -17.578 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.685 -18.147 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 44 63.639 -19.539 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.887 -19.477 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.761 -16.513 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.963 -17.840 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 44 62.060 -16.735 0.112 1.00 0.00 H new ATOM 728 N HIS A 45 65.445 -20.029 -0.433 1.00 0.00 N ATOM 729 CA HIS A 45 66.457 -21.043 -0.829 1.00 0.00 C ATOM 730 C HIS A 45 66.245 -22.321 -0.016 1.00 0.00 C ATOM 731 O HIS A 45 65.688 -23.289 -0.495 1.00 0.00 O ATOM 732 CB HIS A 45 67.853 -20.484 -0.546 1.00 0.00 C ATOM 733 CG HIS A 45 68.368 -19.772 -1.766 1.00 0.00 C ATOM 734 ND1 HIS A 45 68.560 -20.190 -3.061 1.00 0.00 N flip ATOM 735 CD2 HIS A 45 68.763 -18.443 -1.735 1.00 0.00 C flip ATOM 736 CE1 HIS A 45 69.066 -19.140 -3.821 1.00 0.00 C flip ATOM 737 NE2 HIS A 45 69.169 -18.112 -2.974 1.00 0.00 N flip ATOM 0 H HIS A 45 65.830 -19.134 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 45 66.357 -21.272 -1.890 1.00 0.00 H new ATOM 0 HB2 HIS A 45 67.816 -19.797 0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 45 68.531 -21.292 -0.271 1.00 0.00 H new ATOM 0 HD1 HIS A 45 68.362 -21.127 -3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.747 -17.792 -0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 45 69.321 -19.153 -4.870 1.00 0.00 H new ATOM 745 N LYS A 46 66.689 -22.334 1.211 1.00 0.00 N ATOM 746 CA LYS A 46 66.516 -23.549 2.055 1.00 0.00 C ATOM 747 C LYS A 46 67.176 -24.744 1.365 1.00 0.00 C ATOM 748 O LYS A 46 66.788 -25.879 1.562 1.00 0.00 O ATOM 749 CB LYS A 46 65.024 -23.829 2.245 1.00 0.00 C ATOM 750 CG LYS A 46 64.595 -23.378 3.644 1.00 0.00 C ATOM 751 CD LYS A 46 63.874 -24.527 4.352 1.00 0.00 C ATOM 752 CE LYS A 46 62.367 -24.262 4.353 1.00 0.00 C ATOM 753 NZ LYS A 46 61.784 -24.707 5.650 1.00 0.00 N ATOM 0 H LYS A 46 67.165 -21.555 1.666 1.00 0.00 H new ATOM 0 HA LYS A 46 66.981 -23.387 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 46 64.445 -23.301 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 46 64.823 -24.893 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.467 -23.071 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.938 -22.511 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.088 -25.470 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 46 64.238 -24.623 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 46 62.174 -23.200 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 61.893 -24.794 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 60.760 -24.527 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 61.956 -25.725 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 62.228 -24.181 6.429 1.00 0.00 H new ATOM 767 N LYS A 47 68.172 -24.500 0.556 1.00 0.00 N ATOM 768 CA LYS A 47 68.854 -25.625 -0.144 1.00 0.00 C ATOM 769 C LYS A 47 69.845 -25.067 -1.168 1.00 0.00 C ATOM 770 O LYS A 47 69.941 -25.550 -2.279 1.00 0.00 O ATOM 771 CB LYS A 47 67.809 -26.481 -0.862 1.00 0.00 C ATOM 772 CG LYS A 47 66.866 -25.577 -1.655 1.00 0.00 C ATOM 773 CD LYS A 47 66.731 -26.105 -3.085 1.00 0.00 C ATOM 774 CE LYS A 47 65.720 -25.251 -3.852 1.00 0.00 C ATOM 775 NZ LYS A 47 65.857 -25.512 -5.313 1.00 0.00 N ATOM 0 H LYS A 47 68.542 -23.572 0.350 1.00 0.00 H new ATOM 0 HA LYS A 47 69.390 -26.234 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.300 -27.188 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 47 67.244 -27.067 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 47 65.888 -25.544 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.249 -24.557 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 47 67.699 -26.079 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 47 66.407 -27.146 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 47 64.707 -25.484 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 47 65.888 -24.194 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 65.170 -24.932 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 66.820 -25.269 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 65.677 -26.518 -5.504 1.00 0.00 H new ATOM 789 N ASP A 48 70.586 -24.055 -0.801 1.00 0.00 N ATOM 790 CA ASP A 48 71.572 -23.469 -1.754 1.00 0.00 C ATOM 791 C ASP A 48 71.994 -22.082 -1.261 1.00 0.00 C ATOM 792 O ASP A 48 71.337 -21.095 -1.525 1.00 0.00 O ATOM 793 CB ASP A 48 70.933 -23.341 -3.139 1.00 0.00 C ATOM 794 CG ASP A 48 71.485 -24.433 -4.058 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.545 -24.957 -3.754 1.00 0.00 O ATOM 796 OD2 ASP A 48 70.839 -24.727 -5.050 1.00 0.00 O ATOM 0 H ASP A 48 70.551 -23.610 0.116 1.00 0.00 H new ATOM 0 HA ASP A 48 72.446 -24.118 -1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.849 -23.430 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 48 71.143 -22.357 -3.559 1.00 0.00 H new ATOM 801 N HIS A 49 73.085 -22.000 -0.551 1.00 0.00 N ATOM 802 CA HIS A 49 73.546 -20.677 -0.045 1.00 0.00 C ATOM 803 C HIS A 49 74.790 -20.866 0.826 1.00 0.00 C ATOM 804 O HIS A 49 74.791 -21.635 1.765 1.00 0.00 O ATOM 805 CB HIS A 49 72.435 -20.033 0.788 1.00 0.00 C ATOM 806 CG HIS A 49 72.905 -18.704 1.309 1.00 0.00 C ATOM 807 ND1 HIS A 49 73.590 -18.579 2.508 1.00 0.00 N ATOM 808 CD2 HIS A 49 72.794 -17.431 0.807 1.00 0.00 C ATOM 809 CE1 HIS A 49 73.863 -17.274 2.685 1.00 0.00 C ATOM 810 NE2 HIS A 49 73.400 -16.530 1.676 1.00 0.00 N ATOM 0 H HIS A 49 73.677 -22.792 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 49 73.789 -20.032 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 49 71.540 -19.901 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 49 72.163 -20.685 1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 49 72.309 -17.169 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 49 74.392 -16.876 3.538 1.00 0.00 H new ATOM 0 HE2 HIS A 49 73.475 -15.519 1.567 1.00 0.00 H new ATOM 818 N HIS A 50 75.849 -20.165 0.523 1.00 0.00 N ATOM 819 CA HIS A 50 77.091 -20.303 1.336 1.00 0.00 C ATOM 820 C HIS A 50 77.868 -18.995 1.299 1.00 0.00 C ATOM 821 O HIS A 50 79.056 -18.947 1.549 1.00 0.00 O ATOM 822 CB HIS A 50 77.954 -21.418 0.761 1.00 0.00 C ATOM 823 CG HIS A 50 78.021 -22.562 1.736 1.00 0.00 C ATOM 824 ND1 HIS A 50 78.617 -23.771 1.416 1.00 0.00 N ATOM 825 CD2 HIS A 50 77.573 -22.694 3.027 1.00 0.00 C ATOM 826 CE1 HIS A 50 78.512 -24.572 2.493 1.00 0.00 C ATOM 827 NE2 HIS A 50 77.883 -23.964 3.503 1.00 0.00 N ATOM 0 H HIS A 50 75.908 -19.504 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 50 76.825 -20.542 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 50 77.539 -21.760 -0.187 1.00 0.00 H new ATOM 0 HB3 HIS A 50 78.957 -21.045 0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 50 77.058 -21.928 3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 50 78.890 -25.583 2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 50 77.675 -24.348 4.425 1.00 0.00 H new ATOM 835 N SER A 51 77.193 -17.941 0.989 1.00 0.00 N ATOM 836 CA SER A 51 77.852 -16.612 0.924 1.00 0.00 C ATOM 837 C SER A 51 77.886 -15.991 2.321 1.00 0.00 C ATOM 838 O SER A 51 78.213 -14.832 2.489 1.00 0.00 O ATOM 839 CB SER A 51 77.070 -15.699 -0.022 1.00 0.00 C ATOM 840 OG SER A 51 75.681 -15.980 0.093 1.00 0.00 O ATOM 0 H SER A 51 76.196 -17.937 0.773 1.00 0.00 H new ATOM 0 HA SER A 51 78.870 -16.730 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 51 77.262 -14.654 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 51 77.400 -15.853 -1.049 1.00 0.00 H new ATOM 0 HG SER A 51 75.427 -15.993 1.039 1.00 0.00 H new ATOM 846 N HIS A 52 77.548 -16.751 3.327 1.00 0.00 N ATOM 847 CA HIS A 52 77.556 -16.208 4.711 1.00 0.00 C ATOM 848 C HIS A 52 78.999 -16.030 5.190 1.00 0.00 C ATOM 849 O HIS A 52 79.242 -15.564 6.286 1.00 0.00 O ATOM 850 CB HIS A 52 76.825 -17.176 5.642 1.00 0.00 C ATOM 851 CG HIS A 52 76.209 -16.409 6.778 1.00 0.00 C ATOM 852 ND1 HIS A 52 76.586 -16.608 8.097 1.00 0.00 N ATOM 853 CD2 HIS A 52 75.240 -15.435 6.809 1.00 0.00 C ATOM 854 CE1 HIS A 52 75.855 -15.774 8.859 1.00 0.00 C ATOM 855 NE2 HIS A 52 75.017 -15.036 8.123 1.00 0.00 N ATOM 0 H HIS A 52 77.266 -17.728 3.247 1.00 0.00 H new ATOM 0 HA HIS A 52 77.053 -15.241 4.721 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.053 -17.714 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 52 77.520 -17.922 6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 52 74.729 -15.039 5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 52 75.935 -15.709 9.934 1.00 0.00 H new ATOM 0 HE2 HIS A 52 74.357 -14.332 8.454 1.00 0.00 H new ATOM 863 N ARG A 53 79.956 -16.398 4.384 1.00 0.00 N ATOM 864 CA ARG A 53 81.380 -16.250 4.800 1.00 0.00 C ATOM 865 C ARG A 53 81.580 -14.889 5.470 1.00 0.00 C ATOM 866 O ARG A 53 81.695 -14.791 6.675 1.00 0.00 O ATOM 867 CB ARG A 53 82.284 -16.349 3.568 1.00 0.00 C ATOM 868 CG ARG A 53 83.133 -17.619 3.660 1.00 0.00 C ATOM 869 CD ARG A 53 82.694 -18.604 2.575 1.00 0.00 C ATOM 870 NE ARG A 53 83.896 -19.221 1.948 1.00 0.00 N ATOM 871 CZ ARG A 53 83.759 -20.208 1.107 1.00 0.00 C ATOM 872 NH1 ARG A 53 83.556 -21.420 1.549 1.00 0.00 N ATOM 873 NH2 ARG A 53 83.824 -19.986 -0.177 1.00 0.00 N ATOM 0 H ARG A 53 79.814 -16.795 3.455 1.00 0.00 H new ATOM 0 HA ARG A 53 81.635 -17.042 5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.680 -16.367 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.928 -15.472 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 53 84.188 -17.374 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.023 -18.073 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 53 82.058 -19.377 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 53 82.101 -18.089 1.820 1.00 0.00 H new ATOM 0 HE ARG A 53 84.827 -18.871 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 53 83.505 -21.595 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 53 83.449 -22.192 0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 53 83.982 -19.040 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 53 83.717 -20.759 -0.834 1.00 0.00 H new ATOM 887 N GLY A 54 81.623 -13.836 4.699 1.00 0.00 N ATOM 888 CA GLY A 54 81.815 -12.484 5.296 1.00 0.00 C ATOM 889 C GLY A 54 80.619 -11.596 4.953 1.00 0.00 C ATOM 890 O GLY A 54 80.774 -10.487 4.482 1.00 0.00 O ATOM 0 H GLY A 54 81.534 -13.854 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.922 -12.565 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 54 82.734 -12.036 4.918 1.00 0.00 H new ATOM 894 N LEU A 55 79.425 -12.072 5.186 1.00 0.00 N ATOM 895 CA LEU A 55 78.228 -11.252 4.873 1.00 0.00 C ATOM 896 C LEU A 55 77.852 -10.409 6.090 1.00 0.00 C ATOM 897 O LEU A 55 76.697 -10.114 6.326 1.00 0.00 O ATOM 898 CB LEU A 55 77.061 -12.166 4.496 1.00 0.00 C ATOM 899 CG LEU A 55 76.321 -11.579 3.293 1.00 0.00 C ATOM 900 CD1 LEU A 55 77.294 -11.415 2.124 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.188 -12.523 2.882 1.00 0.00 C ATOM 0 H LEU A 55 79.231 -12.993 5.579 1.00 0.00 H new ATOM 0 HA LEU A 55 78.451 -10.593 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 55 77.429 -13.164 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 55 76.379 -12.270 5.340 1.00 0.00 H new ATOM 0 HG LEU A 55 75.908 -10.607 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 55 76.766 -10.997 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 55 78.102 -10.744 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 55 77.708 -12.387 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.660 -12.106 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.603 -13.495 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 55 74.493 -12.641 3.714 1.00 0.00 H new ATOM 913 N LEU A 56 78.824 -10.020 6.861 1.00 0.00 N ATOM 914 CA LEU A 56 78.553 -9.202 8.060 1.00 0.00 C ATOM 915 C LEU A 56 79.009 -7.768 7.808 1.00 0.00 C ATOM 916 O LEU A 56 78.356 -6.815 8.185 1.00 0.00 O ATOM 917 CB LEU A 56 79.329 -9.784 9.236 1.00 0.00 C ATOM 918 CG LEU A 56 78.696 -11.110 9.656 1.00 0.00 C ATOM 919 CD1 LEU A 56 79.585 -11.796 10.694 1.00 0.00 C ATOM 920 CD2 LEU A 56 77.315 -10.847 10.260 1.00 0.00 C ATOM 0 H LEU A 56 79.808 -10.240 6.705 1.00 0.00 H new ATOM 0 HA LEU A 56 77.486 -9.206 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 56 80.371 -9.938 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.323 -9.085 10.072 1.00 0.00 H new ATOM 0 HG LEU A 56 78.594 -11.756 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 56 79.132 -12.742 10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 80.568 -11.984 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 79.689 -11.152 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.863 -11.792 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 56 77.416 -10.201 11.132 1.00 0.00 H new ATOM 0 HD23 LEU A 56 76.681 -10.360 9.519 1.00 0.00 H new ATOM 932 N MET A 57 80.130 -7.616 7.170 1.00 0.00 N ATOM 933 CA MET A 57 80.653 -6.252 6.879 1.00 0.00 C ATOM 934 C MET A 57 79.555 -5.415 6.221 1.00 0.00 C ATOM 935 O MET A 57 79.481 -4.216 6.404 1.00 0.00 O ATOM 936 CB MET A 57 81.851 -6.362 5.933 1.00 0.00 C ATOM 937 CG MET A 57 82.281 -4.962 5.489 1.00 0.00 C ATOM 938 SD MET A 57 84.064 -4.949 5.178 1.00 0.00 S ATOM 939 CE MET A 57 83.988 -4.469 3.436 1.00 0.00 C ATOM 0 H MET A 57 80.713 -8.382 6.834 1.00 0.00 H new ATOM 0 HA MET A 57 80.964 -5.773 7.807 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.678 -6.866 6.433 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.588 -6.966 5.064 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.742 -4.673 4.587 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.030 -4.232 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.999 -4.400 3.033 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.425 -5.216 2.877 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.495 -3.501 3.346 1.00 0.00 H new ATOM 949 N MET A 58 78.700 -6.037 5.456 1.00 0.00 N ATOM 950 CA MET A 58 77.609 -5.276 4.788 1.00 0.00 C ATOM 951 C MET A 58 76.746 -4.592 5.849 1.00 0.00 C ATOM 952 O MET A 58 76.470 -3.411 5.773 1.00 0.00 O ATOM 953 CB MET A 58 76.744 -6.237 3.970 1.00 0.00 C ATOM 954 CG MET A 58 77.070 -6.079 2.484 1.00 0.00 C ATOM 955 SD MET A 58 76.604 -7.588 1.599 1.00 0.00 S ATOM 956 CE MET A 58 74.983 -7.812 2.371 1.00 0.00 C ATOM 0 H MET A 58 78.711 -7.039 5.265 1.00 0.00 H new ATOM 0 HA MET A 58 78.040 -4.524 4.127 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.925 -7.264 4.286 1.00 0.00 H new ATOM 0 HB3 MET A 58 75.688 -6.031 4.145 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.535 -5.223 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 58 78.134 -5.882 2.353 1.00 0.00 H new ATOM 0 HE1 MET A 58 74.394 -8.515 1.782 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.112 -8.202 3.381 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.466 -6.854 2.416 1.00 0.00 H new ATOM 966 N VAL A 59 76.318 -5.325 6.841 1.00 0.00 N ATOM 967 CA VAL A 59 75.474 -4.718 7.905 1.00 0.00 C ATOM 968 C VAL A 59 76.293 -3.681 8.675 1.00 0.00 C ATOM 969 O VAL A 59 75.788 -2.650 9.075 1.00 0.00 O ATOM 970 CB VAL A 59 75.002 -5.810 8.867 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.372 -5.166 10.102 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.962 -6.690 8.167 1.00 0.00 C ATOM 0 H VAL A 59 76.517 -6.318 6.959 1.00 0.00 H new ATOM 0 HA VAL A 59 74.609 -4.235 7.451 1.00 0.00 H new ATOM 0 HB VAL A 59 75.853 -6.420 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.036 -5.945 10.787 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.110 -4.537 10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.521 -4.556 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 59 73.625 -7.469 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.112 -6.078 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.409 -7.150 7.286 1.00 0.00 H new ATOM 982 N GLY A 60 77.554 -3.944 8.887 1.00 0.00 N ATOM 983 CA GLY A 60 78.404 -2.972 9.631 1.00 0.00 C ATOM 984 C GLY A 60 78.873 -1.868 8.680 1.00 0.00 C ATOM 985 O GLY A 60 79.685 -1.036 9.033 1.00 0.00 O ATOM 0 H GLY A 60 78.032 -4.790 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.841 -2.539 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 60 79.264 -3.483 10.064 1.00 0.00 H new ATOM 989 N GLN A 61 78.368 -1.855 7.477 1.00 0.00 N ATOM 990 CA GLN A 61 78.783 -0.811 6.506 1.00 0.00 C ATOM 991 C GLN A 61 77.815 0.361 6.575 1.00 0.00 C ATOM 992 O GLN A 61 77.675 1.135 5.648 1.00 0.00 O ATOM 993 CB GLN A 61 78.768 -1.394 5.100 1.00 0.00 C ATOM 994 CG GLN A 61 80.200 -1.525 4.580 1.00 0.00 C ATOM 995 CD GLN A 61 80.187 -1.542 3.049 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.223 -0.503 2.419 1.00 0.00 O ATOM 997 NE2 GLN A 61 80.137 -2.684 2.422 1.00 0.00 N ATOM 0 H GLN A 61 77.684 -2.526 7.126 1.00 0.00 H new ATOM 0 HA GLN A 61 79.788 -0.468 6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.283 -2.370 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.187 -0.753 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.807 -0.694 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.654 -2.440 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 61 80.107 -3.555 2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 61 80.128 -2.706 1.402 1.00 0.00 H new ATOM 1006 N ARG A 62 77.151 0.484 7.674 1.00 0.00 N ATOM 1007 CA ARG A 62 76.174 1.597 7.846 1.00 0.00 C ATOM 1008 C ARG A 62 75.966 1.874 9.334 1.00 0.00 C ATOM 1009 O ARG A 62 75.822 3.005 9.754 1.00 0.00 O ATOM 1010 CB ARG A 62 74.838 1.206 7.209 1.00 0.00 C ATOM 1011 CG ARG A 62 74.204 2.437 6.560 1.00 0.00 C ATOM 1012 CD ARG A 62 73.236 1.992 5.462 1.00 0.00 C ATOM 1013 NE ARG A 62 72.586 0.712 5.863 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.346 0.711 6.273 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.429 1.328 5.580 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.025 0.091 7.376 1.00 0.00 N ATOM 0 H ARG A 62 77.237 -0.141 8.475 1.00 0.00 H new ATOM 0 HA ARG A 62 76.561 2.494 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.993 0.427 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.169 0.795 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.675 3.025 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.978 3.079 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.480 2.760 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.771 1.862 4.521 1.00 0.00 H new ATOM 0 HE ARG A 62 73.109 -0.162 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.680 1.811 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.461 1.327 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.742 -0.392 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.057 0.090 7.697 1.00 0.00 H new ATOM 1030 N ARG A 63 75.950 0.848 10.133 1.00 0.00 N ATOM 1031 CA ARG A 63 75.753 1.041 11.597 1.00 0.00 C ATOM 1032 C ARG A 63 76.798 2.024 12.128 1.00 0.00 C ATOM 1033 O ARG A 63 76.648 2.590 13.192 1.00 0.00 O ATOM 1034 CB ARG A 63 75.902 -0.301 12.315 1.00 0.00 C ATOM 1035 CG ARG A 63 74.522 -0.815 12.730 1.00 0.00 C ATOM 1036 CD ARG A 63 74.119 -0.180 14.063 1.00 0.00 C ATOM 1037 NE ARG A 63 72.910 -0.868 14.595 1.00 0.00 N ATOM 1038 CZ ARG A 63 72.402 -0.502 15.740 1.00 0.00 C ATOM 1039 NH1 ARG A 63 72.602 0.708 16.185 1.00 0.00 N ATOM 1040 NH2 ARG A 63 71.693 -1.346 16.438 1.00 0.00 N ATOM 0 H ARG A 63 76.065 -0.121 9.836 1.00 0.00 H new ATOM 0 HA ARG A 63 74.755 1.440 11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 63 76.389 -1.024 11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.538 -0.187 13.193 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.786 -0.573 11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.540 -1.901 12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.939 -0.257 14.777 1.00 0.00 H new ATOM 0 HD3 ARG A 63 73.915 0.882 13.925 1.00 0.00 H new ATOM 0 HE ARG A 63 72.479 -1.625 14.064 1.00 0.00 H new ATOM 0 HH11 ARG A 63 73.155 1.368 15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 63 72.205 0.994 17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 63 71.536 -2.291 16.089 1.00 0.00 H new ATOM 0 HH22 ARG A 63 71.296 -1.060 17.333 1.00 0.00 H new ATOM 1054 N ARG A 64 77.856 2.234 11.394 1.00 0.00 N ATOM 1055 CA ARG A 64 78.905 3.178 11.851 1.00 0.00 C ATOM 1056 C ARG A 64 79.658 3.731 10.640 1.00 0.00 C ATOM 1057 O ARG A 64 80.853 3.947 10.684 1.00 0.00 O ATOM 1058 CB ARG A 64 79.882 2.450 12.776 1.00 0.00 C ATOM 1059 CG ARG A 64 79.609 2.853 14.227 1.00 0.00 C ATOM 1060 CD ARG A 64 79.366 1.598 15.068 1.00 0.00 C ATOM 1061 NE ARG A 64 79.028 1.994 16.464 1.00 0.00 N ATOM 1062 CZ ARG A 64 78.700 1.083 17.339 1.00 0.00 C ATOM 1063 NH1 ARG A 64 77.554 0.467 17.242 1.00 0.00 N ATOM 1064 NH2 ARG A 64 79.520 0.788 18.310 1.00 0.00 N ATOM 0 H ARG A 64 78.036 1.789 10.494 1.00 0.00 H new ATOM 0 HA ARG A 64 78.440 4.001 12.394 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.774 1.372 12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.908 2.698 12.506 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.455 3.413 14.626 1.00 0.00 H new ATOM 0 HG3 ARG A 64 78.741 3.510 14.276 1.00 0.00 H new ATOM 0 HD2 ARG A 64 78.554 1.011 14.638 1.00 0.00 H new ATOM 0 HD3 ARG A 64 80.254 0.966 15.063 1.00 0.00 H new ATOM 0 HE ARG A 64 79.053 2.977 16.736 1.00 0.00 H new ATOM 0 HH11 ARG A 64 76.914 0.697 16.482 1.00 0.00 H new ATOM 0 HH12 ARG A 64 77.298 -0.245 17.926 1.00 0.00 H new ATOM 0 HH21 ARG A 64 80.416 1.269 18.385 1.00 0.00 H new ATOM 0 HH22 ARG A 64 79.265 0.076 18.995 1.00 0.00 H new ATOM 1078 N LEU A 65 78.969 3.959 9.556 1.00 0.00 N ATOM 1079 CA LEU A 65 79.644 4.495 8.342 1.00 0.00 C ATOM 1080 C LEU A 65 80.248 5.863 8.659 1.00 0.00 C ATOM 1081 O LEU A 65 81.076 6.371 7.929 1.00 0.00 O ATOM 1082 CB LEU A 65 78.624 4.636 7.210 1.00 0.00 C ATOM 1083 CG LEU A 65 79.237 4.125 5.905 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.132 3.587 4.996 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.962 5.274 5.200 1.00 0.00 C ATOM 0 H LEU A 65 77.967 3.797 9.459 1.00 0.00 H new ATOM 0 HA LEU A 65 80.435 3.811 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 65 77.722 4.071 7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.327 5.679 7.101 1.00 0.00 H new ATOM 0 HG LEU A 65 79.945 3.326 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 78.570 3.223 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 65 77.614 2.769 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.422 4.384 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 65 80.400 4.912 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 65 79.252 6.072 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 65 80.751 5.658 5.847 1.00 0.00 H new ATOM 1097 N LEU A 66 79.839 6.464 9.742 1.00 0.00 N ATOM 1098 CA LEU A 66 80.389 7.798 10.107 1.00 0.00 C ATOM 1099 C LEU A 66 81.893 7.678 10.366 1.00 0.00 C ATOM 1100 O LEU A 66 82.654 8.592 10.113 1.00 0.00 O ATOM 1101 CB LEU A 66 79.692 8.309 11.370 1.00 0.00 C ATOM 1102 CG LEU A 66 79.529 7.158 12.364 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.151 7.549 13.705 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.039 6.864 12.561 1.00 0.00 C ATOM 0 H LEU A 66 79.147 6.088 10.390 1.00 0.00 H new ATOM 0 HA LEU A 66 80.217 8.498 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.275 9.112 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.717 8.726 11.117 1.00 0.00 H new ATOM 0 HG LEU A 66 80.029 6.270 11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.035 6.729 14.413 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.211 7.761 13.566 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.651 8.437 14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.920 6.044 13.269 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.541 7.753 12.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.594 6.586 11.606 1.00 0.00 H new ATOM 1116 N ARG A 67 82.327 6.556 10.871 1.00 0.00 N ATOM 1117 CA ARG A 67 83.780 6.372 11.150 1.00 0.00 C ATOM 1118 C ARG A 67 84.594 6.678 9.890 1.00 0.00 C ATOM 1119 O ARG A 67 85.784 6.914 9.955 1.00 0.00 O ATOM 1120 CB ARG A 67 84.034 4.926 11.578 1.00 0.00 C ATOM 1121 CG ARG A 67 84.252 4.868 13.090 1.00 0.00 C ATOM 1122 CD ARG A 67 84.275 3.408 13.547 1.00 0.00 C ATOM 1123 NE ARG A 67 84.597 3.346 15.000 1.00 0.00 N ATOM 1124 CZ ARG A 67 83.637 3.231 15.876 1.00 0.00 C ATOM 1125 NH1 ARG A 67 82.693 4.130 15.931 1.00 0.00 N ATOM 1126 NH2 ARG A 67 83.621 2.218 16.698 1.00 0.00 N ATOM 0 H ARG A 67 81.737 5.757 11.103 1.00 0.00 H new ATOM 0 HA ARG A 67 84.082 7.051 11.947 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.187 4.300 11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.907 4.531 11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.190 5.357 13.352 1.00 0.00 H new ATOM 0 HG3 ARG A 67 83.457 5.408 13.604 1.00 0.00 H new ATOM 0 HD2 ARG A 67 83.308 2.942 13.358 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.016 2.849 12.976 1.00 0.00 H new ATOM 0 HE ARG A 67 85.568 3.393 15.310 1.00 0.00 H new ATOM 0 HH11 ARG A 67 82.706 4.923 15.289 1.00 0.00 H new ATOM 0 HH12 ARG A 67 81.942 4.040 16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 67 84.359 1.515 16.656 1.00 0.00 H new ATOM 0 HH22 ARG A 67 82.870 2.129 17.383 1.00 0.00 H new ATOM 1140 N TYR A 68 83.967 6.669 8.746 1.00 0.00 N ATOM 1141 CA TYR A 68 84.707 6.950 7.492 1.00 0.00 C ATOM 1142 C TYR A 68 84.401 8.371 7.015 1.00 0.00 C ATOM 1143 O TYR A 68 85.187 9.280 7.196 1.00 0.00 O ATOM 1144 CB TYR A 68 84.285 5.946 6.417 1.00 0.00 C ATOM 1145 CG TYR A 68 85.366 4.905 6.249 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.160 4.539 7.343 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.572 4.305 5.001 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.162 3.573 7.188 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.575 3.340 4.846 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.369 2.974 5.940 1.00 0.00 C ATOM 1151 OH TYR A 68 88.357 2.022 5.787 1.00 0.00 O ATOM 0 H TYR A 68 82.972 6.478 8.629 1.00 0.00 H new ATOM 0 HA TYR A 68 85.777 6.859 7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.346 5.469 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.111 6.460 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.000 5.001 8.306 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.958 4.586 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.775 3.290 8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.736 2.878 3.883 1.00 0.00 H new ATOM 0 HH TYR A 68 88.367 1.707 4.859 1.00 0.00 H new ATOM 1161 N LEU A 69 83.267 8.567 6.399 1.00 0.00 N ATOM 1162 CA LEU A 69 82.913 9.926 5.902 1.00 0.00 C ATOM 1163 C LEU A 69 82.813 10.899 7.078 1.00 0.00 C ATOM 1164 O LEU A 69 83.575 11.840 7.181 1.00 0.00 O ATOM 1165 CB LEU A 69 81.568 9.869 5.174 1.00 0.00 C ATOM 1166 CG LEU A 69 81.210 11.261 4.652 1.00 0.00 C ATOM 1167 CD1 LEU A 69 81.686 11.402 3.205 1.00 0.00 C ATOM 1168 CD2 LEU A 69 79.692 11.449 4.709 1.00 0.00 C ATOM 0 H LEU A 69 82.570 7.844 6.219 1.00 0.00 H new ATOM 0 HA LEU A 69 83.687 10.269 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.620 9.161 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.791 9.512 5.850 1.00 0.00 H new ATOM 0 HG LEU A 69 81.696 12.017 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.431 12.394 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 82.767 11.265 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.200 10.647 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.434 12.441 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.208 10.693 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.351 11.348 5.739 1.00 0.00 H new ATOM 1180 N GLN A 70 81.881 10.685 7.964 1.00 0.00 N ATOM 1181 CA GLN A 70 81.741 11.602 9.126 1.00 0.00 C ATOM 1182 C GLN A 70 83.111 11.803 9.779 1.00 0.00 C ATOM 1183 O GLN A 70 83.359 12.791 10.441 1.00 0.00 O ATOM 1184 CB GLN A 70 80.784 10.985 10.146 1.00 0.00 C ATOM 1185 CG GLN A 70 80.749 11.860 11.399 1.00 0.00 C ATOM 1186 CD GLN A 70 81.674 11.267 12.463 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.488 10.414 12.171 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.581 11.686 13.697 1.00 0.00 N ATOM 0 H GLN A 70 81.212 9.916 7.933 1.00 0.00 H new ATOM 0 HA GLN A 70 81.349 12.562 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 70 79.785 10.900 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.108 9.976 10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.062 12.875 11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.731 11.924 11.782 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.897 12.402 13.942 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.192 11.297 14.415 1.00 0.00 H new ATOM 1197 N ARG A 71 83.995 10.861 9.603 1.00 0.00 N ATOM 1198 CA ARG A 71 85.347 10.969 10.215 1.00 0.00 C ATOM 1199 C ARG A 71 86.206 11.958 9.426 1.00 0.00 C ATOM 1200 O ARG A 71 86.944 12.741 9.992 1.00 0.00 O ATOM 1201 CB ARG A 71 86.019 9.594 10.205 1.00 0.00 C ATOM 1202 CG ARG A 71 85.957 8.983 11.606 1.00 0.00 C ATOM 1203 CD ARG A 71 86.564 9.959 12.617 1.00 0.00 C ATOM 1204 NE ARG A 71 87.778 9.350 13.228 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.439 9.998 14.149 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.335 10.882 13.810 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.201 9.761 15.411 1.00 0.00 N ATOM 0 H ARG A 71 83.837 10.014 9.057 1.00 0.00 H new ATOM 0 HA ARG A 71 85.246 11.325 11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.521 8.940 9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.056 9.687 9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.923 8.763 11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.500 8.038 11.626 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.823 10.896 12.124 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.835 10.197 13.391 1.00 0.00 H new ATOM 0 HE ARG A 71 88.093 8.428 12.927 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.520 11.068 12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.851 11.388 14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 71 87.499 9.070 15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 71 88.717 10.267 16.131 1.00 0.00 H new ATOM 1221 N GLU A 72 86.124 11.929 8.123 1.00 0.00 N ATOM 1222 CA GLU A 72 86.943 12.865 7.304 1.00 0.00 C ATOM 1223 C GLU A 72 86.209 14.185 7.124 1.00 0.00 C ATOM 1224 O GLU A 72 86.525 14.983 6.263 1.00 0.00 O ATOM 1225 CB GLU A 72 87.206 12.245 5.940 1.00 0.00 C ATOM 1226 CG GLU A 72 88.213 11.106 6.085 1.00 0.00 C ATOM 1227 CD GLU A 72 88.864 10.822 4.730 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.240 11.109 3.723 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.977 10.321 4.724 1.00 0.00 O ATOM 0 H GLU A 72 85.525 11.297 7.591 1.00 0.00 H new ATOM 0 HA GLU A 72 87.888 13.050 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.276 11.870 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.590 12.999 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.975 11.372 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.714 10.210 6.455 1.00 0.00 H new ATOM 1236 N ASP A 73 85.237 14.409 7.934 1.00 0.00 N ATOM 1237 CA ASP A 73 84.451 15.670 7.850 1.00 0.00 C ATOM 1238 C ASP A 73 83.170 15.520 8.678 1.00 0.00 C ATOM 1239 O ASP A 73 82.334 14.695 8.368 1.00 0.00 O ATOM 1240 CB ASP A 73 84.081 15.941 6.389 1.00 0.00 C ATOM 1241 CG ASP A 73 84.841 17.173 5.891 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.018 18.092 6.673 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.234 17.174 4.737 1.00 0.00 O ATOM 0 H ASP A 73 84.939 13.767 8.668 1.00 0.00 H new ATOM 0 HA ASP A 73 85.044 16.499 8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.327 15.075 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.007 16.102 6.298 1.00 0.00 H new ATOM 1248 N PRO A 74 83.046 16.325 9.706 1.00 0.00 N ATOM 1249 CA PRO A 74 81.867 16.293 10.584 1.00 0.00 C ATOM 1250 C PRO A 74 80.690 16.960 9.880 1.00 0.00 C ATOM 1251 O PRO A 74 79.540 16.670 10.148 1.00 0.00 O ATOM 1252 CB PRO A 74 82.309 17.086 11.817 1.00 0.00 C ATOM 1253 CG PRO A 74 83.480 17.985 11.357 1.00 0.00 C ATOM 1254 CD PRO A 74 84.055 17.336 10.084 1.00 0.00 C ATOM 0 HA PRO A 74 81.539 15.287 10.845 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.488 17.687 12.208 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.624 16.417 12.618 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.134 18.999 11.154 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.242 18.058 12.133 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.199 18.071 9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.026 16.878 10.274 1.00 0.00 H new ATOM 1262 N GLU A 75 80.974 17.839 8.963 1.00 0.00 N ATOM 1263 CA GLU A 75 79.884 18.512 8.215 1.00 0.00 C ATOM 1264 C GLU A 75 79.341 17.528 7.183 1.00 0.00 C ATOM 1265 O GLU A 75 78.153 17.459 6.935 1.00 0.00 O ATOM 1266 CB GLU A 75 80.431 19.756 7.509 1.00 0.00 C ATOM 1267 CG GLU A 75 81.367 20.509 8.457 1.00 0.00 C ATOM 1268 CD GLU A 75 81.696 21.881 7.866 1.00 0.00 C ATOM 1269 OE1 GLU A 75 80.964 22.816 8.147 1.00 0.00 O ATOM 1270 OE2 GLU A 75 82.673 21.973 7.142 1.00 0.00 O ATOM 0 H GLU A 75 81.918 18.120 8.700 1.00 0.00 H new ATOM 0 HA GLU A 75 79.091 18.820 8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.967 19.468 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 75 79.610 20.403 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 75 80.897 20.625 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 75 82.283 19.938 8.610 1.00 0.00 H new ATOM 1277 N ARG A 76 80.209 16.749 6.594 1.00 0.00 N ATOM 1278 CA ARG A 76 79.753 15.752 5.595 1.00 0.00 C ATOM 1279 C ARG A 76 78.870 14.724 6.300 1.00 0.00 C ATOM 1280 O ARG A 76 78.148 13.973 5.673 1.00 0.00 O ATOM 1281 CB ARG A 76 80.965 15.050 4.977 1.00 0.00 C ATOM 1282 CG ARG A 76 81.530 15.911 3.844 1.00 0.00 C ATOM 1283 CD ARG A 76 82.931 15.419 3.480 1.00 0.00 C ATOM 1284 NE ARG A 76 82.873 14.660 2.198 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.949 14.093 1.726 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.682 13.338 2.498 1.00 0.00 N ATOM 1287 NH2 ARG A 76 84.293 14.281 0.481 1.00 0.00 N ATOM 0 H ARG A 76 81.214 16.764 6.765 1.00 0.00 H new ATOM 0 HA ARG A 76 79.190 16.248 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.729 14.883 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.676 14.071 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.877 15.859 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.568 16.956 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 76 83.612 16.265 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 76 83.323 14.783 4.274 1.00 0.00 H new ATOM 0 HE ARG A 76 81.992 14.584 1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.414 13.191 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 76 85.523 12.895 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 76 83.721 14.871 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.134 13.838 0.112 1.00 0.00 H new ATOM 1301 N TYR A 77 78.917 14.691 7.607 1.00 0.00 N ATOM 1302 CA TYR A 77 78.079 13.724 8.358 1.00 0.00 C ATOM 1303 C TYR A 77 76.716 14.351 8.643 1.00 0.00 C ATOM 1304 O TYR A 77 76.098 14.088 9.656 1.00 0.00 O ATOM 1305 CB TYR A 77 78.746 13.374 9.686 1.00 0.00 C ATOM 1306 CG TYR A 77 77.893 12.366 10.419 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.476 11.199 9.768 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.519 12.600 11.747 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.686 10.264 10.446 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.729 11.664 12.427 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.312 10.496 11.777 1.00 0.00 C ATOM 1312 OH TYR A 77 75.533 9.573 12.445 1.00 0.00 O ATOM 0 H TYR A 77 79.503 15.296 8.183 1.00 0.00 H new ATOM 0 HA TYR A 77 77.961 12.820 7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.742 12.967 9.510 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.871 14.272 10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.764 11.020 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.839 13.502 12.248 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.364 9.364 9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.442 11.843 13.453 1.00 0.00 H new ATOM 0 HH TYR A 77 75.365 9.886 13.358 1.00 0.00 H new ATOM 1322 N ARG A 78 76.251 15.187 7.764 1.00 0.00 N ATOM 1323 CA ARG A 78 74.942 15.851 7.981 1.00 0.00 C ATOM 1324 C ARG A 78 74.206 16.002 6.650 1.00 0.00 C ATOM 1325 O ARG A 78 73.257 16.754 6.541 1.00 0.00 O ATOM 1326 CB ARG A 78 75.166 17.238 8.597 1.00 0.00 C ATOM 1327 CG ARG A 78 76.448 17.237 9.434 1.00 0.00 C ATOM 1328 CD ARG A 78 76.228 16.419 10.705 1.00 0.00 C ATOM 1329 NE ARG A 78 76.324 17.311 11.895 1.00 0.00 N ATOM 1330 CZ ARG A 78 77.030 16.944 12.930 1.00 0.00 C ATOM 1331 NH1 ARG A 78 76.614 15.968 13.690 1.00 0.00 N ATOM 1332 NH2 ARG A 78 78.151 17.552 13.204 1.00 0.00 N ATOM 0 H ARG A 78 76.726 15.441 6.898 1.00 0.00 H new ATOM 0 HA ARG A 78 74.342 15.241 8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.237 17.988 7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.315 17.510 9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.271 16.816 8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.728 18.259 9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.250 15.938 10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 78 76.972 15.625 10.772 1.00 0.00 H new ATOM 0 HE ARG A 78 75.838 18.208 11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 78 75.738 15.492 13.475 1.00 0.00 H new ATOM 0 HH12 ARG A 78 77.165 15.681 14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 78 78.476 18.314 12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 78 78.702 17.265 14.013 1.00 0.00 H new ATOM 1346 N ALA A 79 74.627 15.300 5.635 1.00 0.00 N ATOM 1347 CA ALA A 79 73.943 15.419 4.327 1.00 0.00 C ATOM 1348 C ALA A 79 73.743 14.039 3.721 1.00 0.00 C ATOM 1349 O ALA A 79 72.633 13.612 3.471 1.00 0.00 O ATOM 1350 CB ALA A 79 74.783 16.283 3.392 1.00 0.00 C ATOM 0 H ALA A 79 75.414 14.651 5.659 1.00 0.00 H new ATOM 0 HA ALA A 79 72.968 15.885 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.281 16.371 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.909 17.274 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.760 15.822 3.250 1.00 0.00 H new ATOM 1356 N LEU A 80 74.804 13.333 3.497 1.00 0.00 N ATOM 1357 CA LEU A 80 74.671 11.969 2.923 1.00 0.00 C ATOM 1358 C LEU A 80 73.953 11.080 3.936 1.00 0.00 C ATOM 1359 O LEU A 80 73.558 9.973 3.635 1.00 0.00 O ATOM 1360 CB LEU A 80 76.060 11.403 2.618 1.00 0.00 C ATOM 1361 CG LEU A 80 76.814 12.370 1.704 1.00 0.00 C ATOM 1362 CD1 LEU A 80 78.308 12.321 2.028 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.597 11.964 0.245 1.00 0.00 C ATOM 0 H LEU A 80 75.759 13.637 3.685 1.00 0.00 H new ATOM 0 HA LEU A 80 74.097 12.006 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.615 11.253 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.970 10.428 2.139 1.00 0.00 H new ATOM 0 HG LEU A 80 76.442 13.382 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.844 13.010 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 80 78.464 12.609 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.681 11.309 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.134 12.652 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 80 76.970 10.951 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 80 75.533 11.999 0.012 1.00 0.00 H new ATOM 1375 N ILE A 81 73.754 11.567 5.129 1.00 0.00 N ATOM 1376 CA ILE A 81 73.034 10.758 6.138 1.00 0.00 C ATOM 1377 C ILE A 81 71.553 10.779 5.754 1.00 0.00 C ATOM 1378 O ILE A 81 70.824 9.822 5.920 1.00 0.00 O ATOM 1379 CB ILE A 81 73.275 11.336 7.556 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.047 12.101 8.058 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.477 12.266 7.558 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.060 11.107 8.664 1.00 0.00 C ATOM 0 H ILE A 81 74.060 12.488 5.444 1.00 0.00 H new ATOM 0 HA ILE A 81 73.393 9.729 6.158 1.00 0.00 H new ATOM 0 HB ILE A 81 73.465 10.495 8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.342 12.841 8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.579 12.644 7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.629 12.661 8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.364 11.715 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.301 13.090 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.181 11.641 9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.759 10.384 7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.534 10.585 9.495 1.00 0.00 H new ATOM 1394 N GLU A 82 71.105 11.870 5.218 1.00 0.00 N ATOM 1395 CA GLU A 82 69.685 11.956 4.808 1.00 0.00 C ATOM 1396 C GLU A 82 69.527 11.496 3.354 1.00 0.00 C ATOM 1397 O GLU A 82 68.431 11.439 2.835 1.00 0.00 O ATOM 1398 CB GLU A 82 69.195 13.400 4.946 1.00 0.00 C ATOM 1399 CG GLU A 82 67.674 13.410 5.103 1.00 0.00 C ATOM 1400 CD GLU A 82 67.053 14.275 4.004 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.398 15.443 3.932 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.243 13.755 3.256 1.00 0.00 O ATOM 0 H GLU A 82 71.661 12.708 5.045 1.00 0.00 H new ATOM 0 HA GLU A 82 69.091 11.308 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.663 13.873 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.484 13.979 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.285 12.394 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 82 67.402 13.799 6.084 1.00 0.00 H new ATOM 1409 N LYS A 83 70.604 11.172 2.680 1.00 0.00 N ATOM 1410 CA LYS A 83 70.475 10.731 1.267 1.00 0.00 C ATOM 1411 C LYS A 83 71.038 9.316 1.082 1.00 0.00 C ATOM 1412 O LYS A 83 71.512 8.969 0.019 1.00 0.00 O ATOM 1413 CB LYS A 83 71.238 11.701 0.362 1.00 0.00 C ATOM 1414 CG LYS A 83 71.055 13.130 0.876 1.00 0.00 C ATOM 1415 CD LYS A 83 70.943 14.089 -0.312 1.00 0.00 C ATOM 1416 CE LYS A 83 70.145 15.327 0.104 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.963 15.479 -0.791 1.00 0.00 N ATOM 0 H LYS A 83 71.555 11.195 3.047 1.00 0.00 H new ATOM 0 HA LYS A 83 69.418 10.722 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 83 72.297 11.442 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.874 11.622 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 83 70.160 13.194 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 83 71.898 13.412 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.937 14.381 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.453 13.592 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 83 69.820 15.232 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.775 16.215 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 68.420 16.320 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 69.284 15.587 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 68.359 14.636 -0.715 1.00 0.00 H new ATOM 1431 N LEU A 84 70.998 8.491 2.096 1.00 0.00 N ATOM 1432 CA LEU A 84 71.541 7.115 1.944 1.00 0.00 C ATOM 1433 C LEU A 84 70.741 6.106 2.773 1.00 0.00 C ATOM 1434 O LEU A 84 70.078 5.236 2.243 1.00 0.00 O ATOM 1435 CB LEU A 84 72.996 7.103 2.402 1.00 0.00 C ATOM 1436 CG LEU A 84 73.766 8.168 1.631 1.00 0.00 C ATOM 1437 CD1 LEU A 84 75.198 8.250 2.165 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.800 7.799 0.146 1.00 0.00 C ATOM 0 H LEU A 84 70.615 8.711 3.015 1.00 0.00 H new ATOM 0 HA LEU A 84 71.467 6.828 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 84 73.055 7.296 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.437 6.121 2.230 1.00 0.00 H new ATOM 0 HG LEU A 84 73.274 9.132 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.749 9.012 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 84 75.177 8.512 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.689 7.285 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.351 8.561 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 84 74.292 6.834 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.781 7.739 -0.237 1.00 0.00 H new ATOM 1450 N GLY A 85 70.821 6.201 4.068 1.00 0.00 N ATOM 1451 CA GLY A 85 70.092 5.233 4.943 1.00 0.00 C ATOM 1452 C GLY A 85 70.932 4.994 6.199 1.00 0.00 C ATOM 1453 O GLY A 85 71.231 3.877 6.570 1.00 0.00 O ATOM 0 H GLY A 85 71.361 6.909 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.112 5.627 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.924 4.295 4.414 1.00 0.00 H new ATOM 1457 N ILE A 86 71.337 6.057 6.824 1.00 0.00 N ATOM 1458 CA ILE A 86 72.188 5.982 8.029 1.00 0.00 C ATOM 1459 C ILE A 86 71.321 5.850 9.291 1.00 0.00 C ATOM 1460 O ILE A 86 71.074 4.759 9.767 1.00 0.00 O ATOM 1461 CB ILE A 86 73.002 7.278 8.052 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.511 7.608 9.440 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.132 8.429 7.580 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.972 6.333 10.148 1.00 0.00 C ATOM 0 H ILE A 86 71.103 7.007 6.536 1.00 0.00 H new ATOM 0 HA ILE A 86 72.842 5.110 8.007 1.00 0.00 H new ATOM 0 HB ILE A 86 73.859 7.134 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.337 8.316 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.724 8.091 10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.711 9.353 7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.789 8.233 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.271 8.529 8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.336 6.582 11.145 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.135 5.639 10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.774 5.868 9.575 1.00 0.00 H new ATOM 1476 N ARG A 87 70.855 6.938 9.837 1.00 0.00 N ATOM 1477 CA ARG A 87 70.019 6.874 11.043 1.00 0.00 C ATOM 1478 C ARG A 87 68.553 6.836 10.626 1.00 0.00 C ATOM 1479 O ARG A 87 68.131 5.993 9.859 1.00 0.00 O ATOM 1480 CB ARG A 87 70.317 8.106 11.899 1.00 0.00 C ATOM 1481 CG ARG A 87 71.781 8.079 12.342 1.00 0.00 C ATOM 1482 CD ARG A 87 71.853 8.110 13.870 1.00 0.00 C ATOM 1483 NE ARG A 87 72.675 9.273 14.306 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.754 9.579 15.572 1.00 0.00 C ATOM 1485 NH1 ARG A 87 72.815 8.633 16.468 1.00 0.00 N ATOM 1486 NH2 ARG A 87 72.770 10.830 15.942 1.00 0.00 N ATOM 0 H ARG A 87 71.027 7.879 9.484 1.00 0.00 H new ATOM 0 HA ARG A 87 70.234 5.978 11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.115 9.014 11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.663 8.123 12.771 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.270 7.182 11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.314 8.933 11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.850 8.182 14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.289 7.183 14.243 1.00 0.00 H new ATOM 0 HE ARG A 87 73.176 9.831 13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.801 7.655 16.179 1.00 0.00 H new ATOM 0 HH12 ARG A 87 72.877 8.871 17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 87 72.721 11.570 15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 87 72.832 11.068 16.932 1.00 0.00 H new ATOM 1500 N GLY A 88 67.783 7.739 11.124 1.00 0.00 N ATOM 1501 CA GLY A 88 66.335 7.778 10.772 1.00 0.00 C ATOM 1502 C GLY A 88 65.536 6.974 11.799 1.00 0.00 C ATOM 1503 O GLY A 88 65.817 7.111 12.978 1.00 0.00 O ATOM 1504 OXT GLY A 88 64.655 6.235 11.388 1.00 0.00 O ATOM 0 H GLY A 88 68.088 8.467 11.770 1.00 0.00 H new ATOM 0 HA2 GLY A 88 65.983 8.810 10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.182 7.367 9.774 1.00 0.00 H new