USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= 0.0975 K(o=0.097,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0534 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -177:sc= 0 (180deg=-0.009) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.315 K(o=0.32,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= 0.274 (180deg=-0.00841) USER MOD Single : A 24 ASN : amide:sc= -3.54 K(o=-3.5,f=-6.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.57) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -157:sc= -0.62 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 46 THR OG1 : rot 77:sc= 0.9 USER MOD Single : A 47 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 143:sc= 0.0612 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 60 SER OG : rot -46:sc= 1.02 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0032 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.602 3.050 -12.776 1.00 0.00 N ATOM 2 CA GLY A 1 -5.815 2.802 -11.537 1.00 0.00 C ATOM 3 C GLY A 1 -5.150 1.439 -11.535 1.00 0.00 C ATOM 4 O GLY A 1 -5.022 0.801 -12.580 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.303 3.950 -13.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.440 2.275 -13.451 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.614 3.098 -12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.053 3.575 -11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.472 2.884 -10.671 1.00 0.00 H new ATOM 10 N SER A 2 -4.725 0.992 -10.357 1.00 0.00 N ATOM 11 CA SER A 2 -4.070 -0.304 -10.223 1.00 0.00 C ATOM 12 C SER A 2 -5.093 -1.435 -10.216 1.00 0.00 C ATOM 13 O SER A 2 -4.811 -2.543 -10.673 1.00 0.00 O ATOM 14 CB SER A 2 -3.236 -0.347 -8.941 1.00 0.00 C ATOM 15 OG SER A 2 -2.432 0.813 -8.817 1.00 0.00 O ATOM 0 H SER A 2 -4.823 1.508 -9.483 1.00 0.00 H new ATOM 0 HA SER A 2 -3.412 -0.440 -11.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.895 -0.430 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.602 -1.234 -8.945 1.00 0.00 H new ATOM 0 HG SER A 2 -1.910 0.762 -7.989 1.00 0.00 H new ATOM 21 N GLU A 3 -6.281 -1.149 -9.695 1.00 0.00 N ATOM 22 CA GLU A 3 -7.346 -2.142 -9.628 1.00 0.00 C ATOM 23 C GLU A 3 -6.926 -3.333 -8.772 1.00 0.00 C ATOM 24 O GLU A 3 -7.366 -4.460 -8.999 1.00 0.00 O ATOM 25 CB GLU A 3 -7.722 -2.612 -11.037 1.00 0.00 C ATOM 26 CG GLU A 3 -9.125 -2.210 -11.459 1.00 0.00 C ATOM 27 CD GLU A 3 -9.264 -2.071 -12.962 1.00 0.00 C ATOM 28 OE1 GLU A 3 -8.238 -1.836 -13.634 1.00 0.00 O ATOM 29 OE2 GLU A 3 -10.400 -2.196 -13.466 1.00 0.00 O ATOM 0 H GLU A 3 -6.531 -0.237 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.216 -1.677 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.006 -2.203 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.635 -3.697 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.836 -2.954 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.386 -1.264 -10.985 1.00 0.00 H new ATOM 36 N GLY A 4 -6.072 -3.076 -7.787 1.00 0.00 N ATOM 37 CA GLY A 4 -5.607 -4.136 -6.912 1.00 0.00 C ATOM 38 C GLY A 4 -6.610 -4.475 -5.826 1.00 0.00 C ATOM 39 O GLY A 4 -6.906 -5.646 -5.590 1.00 0.00 O ATOM 0 H GLY A 4 -5.693 -2.152 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.402 -5.028 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.666 -3.836 -6.452 1.00 0.00 H new ATOM 43 N ALA A 5 -7.131 -3.447 -5.163 1.00 0.00 N ATOM 44 CA ALA A 5 -8.105 -3.642 -4.096 1.00 0.00 C ATOM 45 C ALA A 5 -9.530 -3.531 -4.626 1.00 0.00 C ATOM 46 O ALA A 5 -9.745 -3.326 -5.821 1.00 0.00 O ATOM 47 CB ALA A 5 -7.873 -2.633 -2.982 1.00 0.00 C ATOM 0 H ALA A 5 -6.895 -2.472 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.973 -4.647 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.607 -2.789 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.870 -2.763 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.976 -1.623 -3.379 1.00 0.00 H new ATOM 53 N ALA A 6 -10.502 -3.668 -3.729 1.00 0.00 N ATOM 54 CA ALA A 6 -11.908 -3.584 -4.105 1.00 0.00 C ATOM 55 C ALA A 6 -12.425 -2.154 -3.975 1.00 0.00 C ATOM 56 O ALA A 6 -13.465 -1.912 -3.361 1.00 0.00 O ATOM 57 CB ALA A 6 -12.738 -4.531 -3.252 1.00 0.00 C ATOM 0 H ALA A 6 -10.341 -3.838 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.000 -3.881 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.786 -4.459 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.390 -5.553 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.633 -4.261 -2.201 1.00 0.00 H new ATOM 63 N THR A 7 -11.694 -1.211 -4.559 1.00 0.00 N ATOM 64 CA THR A 7 -12.080 0.195 -4.509 1.00 0.00 C ATOM 65 C THR A 7 -12.128 0.694 -3.068 1.00 0.00 C ATOM 66 O THR A 7 -13.184 0.695 -2.436 1.00 0.00 O ATOM 67 CB THR A 7 -13.440 0.397 -5.177 1.00 0.00 C ATOM 68 OG1 THR A 7 -13.533 -0.363 -6.368 1.00 0.00 O ATOM 69 CG2 THR A 7 -13.725 1.841 -5.531 1.00 0.00 C ATOM 0 H THR A 7 -10.832 -1.394 -5.072 1.00 0.00 H new ATOM 0 HA THR A 7 -11.330 0.772 -5.050 1.00 0.00 H new ATOM 0 HB THR A 7 -14.174 0.068 -4.441 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.411 -0.221 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.706 1.914 -6.001 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.711 2.447 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.964 2.203 -6.222 1.00 0.00 H new ATOM 77 N MET A 8 -10.978 1.120 -2.555 1.00 0.00 N ATOM 78 CA MET A 8 -10.892 1.622 -1.189 1.00 0.00 C ATOM 79 C MET A 8 -11.252 3.102 -1.131 1.00 0.00 C ATOM 80 O MET A 8 -11.181 3.809 -2.135 1.00 0.00 O ATOM 81 CB MET A 8 -9.483 1.406 -0.631 1.00 0.00 C ATOM 82 CG MET A 8 -9.255 0.007 -0.080 1.00 0.00 C ATOM 83 SD MET A 8 -8.034 -0.027 1.245 1.00 0.00 S ATOM 84 CE MET A 8 -6.875 -1.234 0.606 1.00 0.00 C ATOM 0 H MET A 8 -10.094 1.127 -3.064 1.00 0.00 H new ATOM 0 HA MET A 8 -11.606 1.068 -0.579 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.755 1.600 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.299 2.133 0.160 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.199 -0.391 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.928 -0.648 -0.887 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.087 -1.405 1.339 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.397 -2.170 0.409 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.435 -0.862 -0.319 1.00 0.00 H new ATOM 94 N THR A 9 -11.642 3.565 0.053 1.00 0.00 N ATOM 95 CA THR A 9 -12.015 4.961 0.243 1.00 0.00 C ATOM 96 C THR A 9 -10.821 5.785 0.712 1.00 0.00 C ATOM 97 O THR A 9 -9.773 5.237 1.056 1.00 0.00 O ATOM 98 CB THR A 9 -13.155 5.071 1.256 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.779 4.500 2.497 1.00 0.00 O ATOM 100 CG2 THR A 9 -14.428 4.389 0.803 1.00 0.00 C ATOM 0 H THR A 9 -11.708 2.993 0.895 1.00 0.00 H new ATOM 0 HA THR A 9 -12.350 5.356 -0.716 1.00 0.00 H new ATOM 0 HB THR A 9 -13.351 6.139 1.355 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.521 4.581 3.133 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.195 4.505 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.772 4.841 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.235 3.329 0.641 1.00 0.00 H new ATOM 108 N GLU A 10 -10.986 7.103 0.724 1.00 0.00 N ATOM 109 CA GLU A 10 -9.921 8.002 1.153 1.00 0.00 C ATOM 110 C GLU A 10 -9.538 7.736 2.605 1.00 0.00 C ATOM 111 O GLU A 10 -8.379 7.890 2.991 1.00 0.00 O ATOM 112 CB GLU A 10 -10.356 9.459 0.986 1.00 0.00 C ATOM 113 CG GLU A 10 -9.997 10.049 -0.368 1.00 0.00 C ATOM 114 CD GLU A 10 -10.821 11.277 -0.704 1.00 0.00 C ATOM 115 OE1 GLU A 10 -11.236 11.988 0.234 1.00 0.00 O ATOM 116 OE2 GLU A 10 -11.049 11.527 -1.907 1.00 0.00 O ATOM 0 H GLU A 10 -11.846 7.572 0.442 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.049 7.817 0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.435 9.526 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.893 10.060 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.939 10.312 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.145 9.294 -1.140 1.00 0.00 H new ATOM 123 N ASP A 11 -10.520 7.338 3.408 1.00 0.00 N ATOM 124 CA ASP A 11 -10.287 7.052 4.818 1.00 0.00 C ATOM 125 C ASP A 11 -9.265 5.932 4.985 1.00 0.00 C ATOM 126 O ASP A 11 -8.451 5.953 5.908 1.00 0.00 O ATOM 127 CB ASP A 11 -11.599 6.667 5.505 1.00 0.00 C ATOM 128 CG ASP A 11 -12.296 7.859 6.130 1.00 0.00 C ATOM 129 OD1 ASP A 11 -11.602 8.699 6.741 1.00 0.00 O ATOM 130 OD2 ASP A 11 -13.535 7.954 6.009 1.00 0.00 O ATOM 0 H ASP A 11 -11.485 7.206 3.105 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.890 7.954 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.264 6.201 4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.398 5.922 6.275 1.00 0.00 H new ATOM 135 N GLN A 12 -9.313 4.954 4.085 1.00 0.00 N ATOM 136 CA GLN A 12 -8.392 3.826 4.132 1.00 0.00 C ATOM 137 C GLN A 12 -7.013 4.228 3.620 1.00 0.00 C ATOM 138 O GLN A 12 -5.998 3.978 4.273 1.00 0.00 O ATOM 139 CB GLN A 12 -8.938 2.659 3.306 1.00 0.00 C ATOM 140 CG GLN A 12 -9.696 1.632 4.132 1.00 0.00 C ATOM 141 CD GLN A 12 -11.002 1.212 3.484 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.256 1.517 2.319 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.836 0.505 4.238 1.00 0.00 N ATOM 0 H GLN A 12 -9.981 4.921 3.315 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.295 3.511 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.599 3.050 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.110 2.165 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.068 0.753 4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.901 2.045 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.584 0.275 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.728 0.192 3.856 1.00 0.00 H new ATOM 152 N VAL A 13 -6.981 4.850 2.445 1.00 0.00 N ATOM 153 CA VAL A 13 -5.727 5.286 1.846 1.00 0.00 C ATOM 154 C VAL A 13 -5.026 6.320 2.721 1.00 0.00 C ATOM 155 O VAL A 13 -3.802 6.321 2.840 1.00 0.00 O ATOM 156 CB VAL A 13 -5.952 5.885 0.444 1.00 0.00 C ATOM 157 CG1 VAL A 13 -4.623 6.150 -0.245 1.00 0.00 C ATOM 158 CG2 VAL A 13 -6.823 4.964 -0.397 1.00 0.00 C ATOM 0 H VAL A 13 -7.810 5.063 1.890 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.096 4.401 1.759 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.472 6.837 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.803 6.573 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.039 6.853 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.072 5.215 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.971 5.404 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.334 3.995 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.789 4.832 0.090 1.00 0.00 H new ATOM 168 N GLU A 14 -5.813 7.200 3.332 1.00 0.00 N ATOM 169 CA GLU A 14 -5.270 8.241 4.198 1.00 0.00 C ATOM 170 C GLU A 14 -4.478 7.633 5.351 1.00 0.00 C ATOM 171 O GLU A 14 -3.519 8.230 5.841 1.00 0.00 O ATOM 172 CB GLU A 14 -6.398 9.116 4.747 1.00 0.00 C ATOM 173 CG GLU A 14 -6.728 10.308 3.862 1.00 0.00 C ATOM 174 CD GLU A 14 -7.417 11.424 4.622 1.00 0.00 C ATOM 175 OE1 GLU A 14 -8.548 11.204 5.104 1.00 0.00 O ATOM 176 OE2 GLU A 14 -6.826 12.518 4.735 1.00 0.00 O ATOM 0 H GLU A 14 -6.829 7.213 3.243 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.596 8.857 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.293 8.506 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.119 9.475 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.810 10.690 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.369 9.982 3.043 1.00 0.00 H new ATOM 183 N ILE A 15 -4.884 6.443 5.781 1.00 0.00 N ATOM 184 CA ILE A 15 -4.213 5.756 6.877 1.00 0.00 C ATOM 185 C ILE A 15 -3.121 4.827 6.357 1.00 0.00 C ATOM 186 O ILE A 15 -2.070 4.677 6.982 1.00 0.00 O ATOM 187 CB ILE A 15 -5.208 4.937 7.722 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.415 5.797 8.104 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.525 4.390 8.966 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.616 4.991 8.544 1.00 0.00 C ATOM 0 H ILE A 15 -5.675 5.934 5.386 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.764 6.526 7.504 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.559 4.095 7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.128 6.475 8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.695 6.415 7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.242 3.814 9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.696 3.746 8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.147 5.217 9.567 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.433 5.666 8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.929 4.332 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.353 4.393 9.417 1.00 0.00 H new ATOM 202 N LEU A 16 -3.376 4.205 5.211 1.00 0.00 N ATOM 203 CA LEU A 16 -2.413 3.290 4.607 1.00 0.00 C ATOM 204 C LEU A 16 -1.161 4.035 4.155 1.00 0.00 C ATOM 205 O LEU A 16 -0.066 3.476 4.144 1.00 0.00 O ATOM 206 CB LEU A 16 -3.047 2.562 3.420 1.00 0.00 C ATOM 207 CG LEU A 16 -4.106 1.522 3.790 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.852 1.056 2.550 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.466 0.341 4.505 1.00 0.00 C ATOM 0 H LEU A 16 -4.241 4.317 4.682 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.123 2.558 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.501 3.301 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.258 2.069 2.852 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.823 1.986 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.601 0.316 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.343 1.908 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.148 0.609 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.234 -0.389 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.727 -0.123 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.978 0.688 5.416 1.00 0.00 H new ATOM 221 N GLU A 17 -1.333 5.300 3.782 1.00 0.00 N ATOM 222 CA GLU A 17 -0.216 6.120 3.330 1.00 0.00 C ATOM 223 C GLU A 17 0.533 6.725 4.515 1.00 0.00 C ATOM 224 O GLU A 17 1.741 6.951 4.447 1.00 0.00 O ATOM 225 CB GLU A 17 -0.715 7.231 2.401 1.00 0.00 C ATOM 226 CG GLU A 17 -0.123 7.166 1.003 1.00 0.00 C ATOM 227 CD GLU A 17 0.009 8.534 0.362 1.00 0.00 C ATOM 228 OE1 GLU A 17 0.661 9.412 0.966 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.539 8.727 -0.743 1.00 0.00 O ATOM 0 H GLU A 17 -2.234 5.778 3.784 1.00 0.00 H new ATOM 0 HA GLU A 17 0.473 5.479 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.801 7.173 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.476 8.198 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.859 6.694 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.751 6.534 0.375 1.00 0.00 H new ATOM 236 N TYR A 18 -0.193 6.983 5.597 1.00 0.00 N ATOM 237 CA TYR A 18 0.403 7.561 6.796 1.00 0.00 C ATOM 238 C TYR A 18 1.376 6.583 7.445 1.00 0.00 C ATOM 239 O TYR A 18 2.372 6.989 8.043 1.00 0.00 O ATOM 240 CB TYR A 18 -0.687 7.954 7.795 1.00 0.00 C ATOM 241 CG TYR A 18 -0.191 8.838 8.917 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.694 8.351 9.870 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.610 10.158 9.024 1.00 0.00 C ATOM 244 CE1 TYR A 18 1.150 9.157 10.897 1.00 0.00 C ATOM 245 CE2 TYR A 18 -0.159 10.970 10.048 1.00 0.00 C ATOM 246 CZ TYR A 18 0.720 10.464 10.982 1.00 0.00 C ATOM 247 OH TYR A 18 1.171 11.269 12.003 1.00 0.00 O ATOM 0 H TYR A 18 -1.194 6.801 5.669 1.00 0.00 H new ATOM 0 HA TYR A 18 0.955 8.454 6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.486 8.470 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.121 7.049 8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.031 7.327 9.808 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.300 10.557 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.840 8.764 11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.493 11.995 10.116 1.00 0.00 H new ATOM 0 HH TYR A 18 0.773 12.160 11.917 1.00 0.00 H new ATOM 257 N ASN A 19 1.084 5.292 7.321 1.00 0.00 N ATOM 258 CA ASN A 19 1.938 4.258 7.896 1.00 0.00 C ATOM 259 C ASN A 19 2.914 3.713 6.856 1.00 0.00 C ATOM 260 O ASN A 19 3.406 2.592 6.983 1.00 0.00 O ATOM 261 CB ASN A 19 1.086 3.117 8.457 1.00 0.00 C ATOM 262 CG ASN A 19 0.181 3.572 9.585 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.576 3.574 10.752 1.00 0.00 O ATOM 264 ND2 ASN A 19 -1.043 3.958 9.245 1.00 0.00 N ATOM 0 H ASN A 19 0.264 4.937 6.829 1.00 0.00 H new ATOM 0 HA ASN A 19 2.512 4.708 8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.479 2.693 7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.739 2.322 8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.697 4.272 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.330 3.941 8.266 1.00 0.00 H new ATOM 271 N PHE A 20 3.189 4.510 5.827 1.00 0.00 N ATOM 272 CA PHE A 20 4.104 4.102 4.767 1.00 0.00 C ATOM 273 C PHE A 20 5.294 5.054 4.662 1.00 0.00 C ATOM 274 O PHE A 20 6.363 4.671 4.185 1.00 0.00 O ATOM 275 CB PHE A 20 3.368 4.040 3.427 1.00 0.00 C ATOM 276 CG PHE A 20 4.234 3.585 2.287 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.744 2.297 2.259 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.537 4.445 1.244 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.542 1.875 1.212 1.00 0.00 C ATOM 280 CE2 PHE A 20 5.334 4.030 0.194 1.00 0.00 C ATOM 281 CZ PHE A 20 5.837 2.743 0.178 1.00 0.00 C ATOM 0 H PHE A 20 2.791 5.441 5.705 1.00 0.00 H new ATOM 0 HA PHE A 20 4.482 3.111 5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.518 3.364 3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.966 5.027 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.515 1.615 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.146 5.452 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.934 0.869 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.563 4.710 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.460 2.416 -0.641 1.00 0.00 H new ATOM 291 N ASN A 21 5.105 6.296 5.100 1.00 0.00 N ATOM 292 CA ASN A 21 6.166 7.295 5.042 1.00 0.00 C ATOM 293 C ASN A 21 6.572 7.753 6.440 1.00 0.00 C ATOM 294 O ASN A 21 7.748 8.005 6.703 1.00 0.00 O ATOM 295 CB ASN A 21 5.714 8.498 4.215 1.00 0.00 C ATOM 296 CG ASN A 21 5.500 8.149 2.755 1.00 0.00 C ATOM 297 OD1 ASN A 21 6.454 8.045 1.983 1.00 0.00 O ATOM 298 ND2 ASN A 21 4.244 7.966 2.368 1.00 0.00 N ATOM 0 H ASN A 21 4.229 6.633 5.498 1.00 0.00 H new ATOM 0 HA ASN A 21 7.033 6.835 4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.787 8.893 4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.460 9.289 4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.039 7.729 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.484 8.062 3.041 1.00 0.00 H new ATOM 305 N LYS A 22 5.593 7.866 7.332 1.00 0.00 N ATOM 306 CA LYS A 22 5.853 8.302 8.700 1.00 0.00 C ATOM 307 C LYS A 22 6.298 7.136 9.577 1.00 0.00 C ATOM 308 O LYS A 22 7.189 7.284 10.415 1.00 0.00 O ATOM 309 CB LYS A 22 4.604 8.953 9.296 1.00 0.00 C ATOM 310 CG LYS A 22 4.216 10.258 8.621 1.00 0.00 C ATOM 311 CD LYS A 22 3.285 10.023 7.443 1.00 0.00 C ATOM 312 CE LYS A 22 2.888 11.331 6.777 1.00 0.00 C ATOM 313 NZ LYS A 22 2.073 12.190 7.680 1.00 0.00 N ATOM 0 H LYS A 22 4.614 7.662 7.133 1.00 0.00 H new ATOM 0 HA LYS A 22 6.660 9.034 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.771 8.254 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.772 9.139 10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.730 10.912 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.114 10.772 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.774 9.376 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.391 9.501 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.785 11.871 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.322 11.119 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.521 12.864 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.427 11.594 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.702 12.712 8.323 1.00 0.00 H new ATOM 327 N VAL A 23 5.674 5.979 9.384 1.00 0.00 N ATOM 328 CA VAL A 23 6.008 4.795 10.166 1.00 0.00 C ATOM 329 C VAL A 23 7.121 3.987 9.503 1.00 0.00 C ATOM 330 O VAL A 23 8.253 3.963 9.987 1.00 0.00 O ATOM 331 CB VAL A 23 4.777 3.891 10.369 1.00 0.00 C ATOM 332 CG1 VAL A 23 5.114 2.720 11.282 1.00 0.00 C ATOM 333 CG2 VAL A 23 3.615 4.696 10.932 1.00 0.00 C ATOM 0 H VAL A 23 4.936 5.836 8.694 1.00 0.00 H new ATOM 0 HA VAL A 23 6.355 5.147 11.138 1.00 0.00 H new ATOM 0 HB VAL A 23 4.480 3.490 9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.231 2.094 11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.915 2.130 10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.438 3.097 12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.753 4.043 11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.901 5.126 11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.357 5.496 10.238 1.00 0.00 H new ATOM 343 N ASN A 24 6.795 3.324 8.398 1.00 0.00 N ATOM 344 CA ASN A 24 7.772 2.516 7.678 1.00 0.00 C ATOM 345 C ASN A 24 7.158 1.903 6.423 1.00 0.00 C ATOM 346 O ASN A 24 5.945 1.965 6.220 1.00 0.00 O ATOM 347 CB ASN A 24 8.315 1.408 8.583 1.00 0.00 C ATOM 348 CG ASN A 24 7.210 0.661 9.305 1.00 0.00 C ATOM 349 OD1 ASN A 24 6.064 0.642 8.858 1.00 0.00 O ATOM 350 ND2 ASN A 24 7.552 0.041 10.429 1.00 0.00 N ATOM 0 H ASN A 24 5.863 3.330 7.983 1.00 0.00 H new ATOM 0 HA ASN A 24 8.592 3.169 7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.895 0.705 7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.996 1.841 9.315 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.852 -0.478 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.515 0.084 10.762 1.00 0.00 H new ATOM 357 N LYS A 25 8.003 1.313 5.584 1.00 0.00 N ATOM 358 CA LYS A 25 7.544 0.688 4.349 1.00 0.00 C ATOM 359 C LYS A 25 7.505 -0.830 4.489 1.00 0.00 C ATOM 360 O LYS A 25 6.620 -1.491 3.944 1.00 0.00 O ATOM 361 CB LYS A 25 8.455 1.082 3.185 1.00 0.00 C ATOM 362 CG LYS A 25 8.606 2.584 3.011 1.00 0.00 C ATOM 363 CD LYS A 25 9.527 3.178 4.064 1.00 0.00 C ATOM 364 CE LYS A 25 10.147 4.482 3.591 1.00 0.00 C ATOM 365 NZ LYS A 25 10.478 5.386 4.727 1.00 0.00 N ATOM 0 H LYS A 25 9.010 1.255 5.737 1.00 0.00 H new ATOM 0 HA LYS A 25 6.533 1.041 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.440 0.642 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.058 0.656 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.001 2.798 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.627 3.059 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.966 3.353 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.316 2.465 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.052 4.268 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.457 4.987 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.899 6.264 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.611 5.612 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.156 4.915 5.359 1.00 0.00 H new ATOM 379 N HIS A 26 8.470 -1.377 5.222 1.00 0.00 N ATOM 380 CA HIS A 26 8.545 -2.818 5.434 1.00 0.00 C ATOM 381 C HIS A 26 8.405 -3.158 6.918 1.00 0.00 C ATOM 382 O HIS A 26 9.346 -3.646 7.545 1.00 0.00 O ATOM 383 CB HIS A 26 9.867 -3.366 4.888 1.00 0.00 C ATOM 384 CG HIS A 26 9.728 -4.055 3.566 1.00 0.00 C ATOM 385 ND1 HIS A 26 10.739 -4.797 2.994 1.00 0.00 N ATOM 386 CD2 HIS A 26 8.686 -4.115 2.704 1.00 0.00 C ATOM 387 CE1 HIS A 26 10.326 -5.283 1.836 1.00 0.00 C ATOM 388 NE2 HIS A 26 9.084 -4.884 1.637 1.00 0.00 N ATOM 0 H HIS A 26 9.210 -0.844 5.679 1.00 0.00 H new ATOM 0 HA HIS A 26 7.720 -3.285 4.897 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.578 -2.545 4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.287 -4.065 5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.722 -3.646 2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.906 -5.901 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.512 -5.110 0.823 1.00 0.00 H new ATOM 397 N PRO A 27 7.222 -2.902 7.502 1.00 0.00 N ATOM 398 CA PRO A 27 6.963 -3.182 8.916 1.00 0.00 C ATOM 399 C PRO A 27 6.833 -4.674 9.198 1.00 0.00 C ATOM 400 O PRO A 27 7.115 -5.506 8.334 1.00 0.00 O ATOM 401 CB PRO A 27 5.636 -2.471 9.179 1.00 0.00 C ATOM 402 CG PRO A 27 4.954 -2.442 7.855 1.00 0.00 C ATOM 403 CD PRO A 27 6.046 -2.318 6.828 1.00 0.00 C ATOM 0 HA PRO A 27 7.779 -2.843 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.041 -3.005 9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.796 -1.464 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.371 -3.349 7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.261 -1.603 7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.799 -2.857 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.218 -1.278 6.549 1.00 0.00 H new ATOM 411 N ASP A 28 6.402 -5.007 10.410 1.00 0.00 N ATOM 412 CA ASP A 28 6.233 -6.400 10.808 1.00 0.00 C ATOM 413 C ASP A 28 4.770 -6.693 11.135 1.00 0.00 C ATOM 414 O ASP A 28 3.952 -5.778 11.226 1.00 0.00 O ATOM 415 CB ASP A 28 7.114 -6.721 12.019 1.00 0.00 C ATOM 416 CG ASP A 28 8.481 -6.067 11.936 1.00 0.00 C ATOM 417 OD1 ASP A 28 8.949 -5.811 10.807 1.00 0.00 O ATOM 418 OD2 ASP A 28 9.082 -5.811 13.000 1.00 0.00 O ATOM 0 H ASP A 28 6.163 -4.330 11.135 1.00 0.00 H new ATOM 0 HA ASP A 28 6.537 -7.031 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.611 -6.389 12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.236 -7.801 12.099 1.00 0.00 H new ATOM 423 N PRO A 29 4.419 -7.978 11.318 1.00 0.00 N ATOM 424 CA PRO A 29 3.044 -8.382 11.634 1.00 0.00 C ATOM 425 C PRO A 29 2.500 -7.666 12.866 1.00 0.00 C ATOM 426 O PRO A 29 1.290 -7.488 13.008 1.00 0.00 O ATOM 427 CB PRO A 29 3.164 -9.887 11.898 1.00 0.00 C ATOM 428 CG PRO A 29 4.386 -10.305 11.157 1.00 0.00 C ATOM 429 CD PRO A 29 5.327 -9.137 11.228 1.00 0.00 C ATOM 0 HA PRO A 29 2.352 -8.133 10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.256 -10.096 12.964 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.283 -10.423 11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.831 -11.193 11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.150 -10.555 10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.985 -9.202 12.095 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.966 -9.081 10.347 1.00 0.00 H new ATOM 437 N THR A 30 3.401 -7.255 13.752 1.00 0.00 N ATOM 438 CA THR A 30 3.010 -6.555 14.970 1.00 0.00 C ATOM 439 C THR A 30 2.461 -5.169 14.648 1.00 0.00 C ATOM 440 O THR A 30 1.562 -4.672 15.325 1.00 0.00 O ATOM 441 CB THR A 30 4.202 -6.436 15.921 1.00 0.00 C ATOM 442 OG1 THR A 30 4.836 -7.692 16.090 1.00 0.00 O ATOM 443 CG2 THR A 30 3.824 -5.924 17.294 1.00 0.00 C ATOM 0 H THR A 30 4.406 -7.394 13.650 1.00 0.00 H new ATOM 0 HA THR A 30 2.224 -7.134 15.455 1.00 0.00 H new ATOM 0 HB THR A 30 4.873 -5.714 15.454 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.597 -7.595 16.700 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.716 -5.864 17.918 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.377 -4.934 17.203 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.106 -6.605 17.751 1.00 0.00 H new ATOM 451 N THR A 31 3.010 -4.550 13.606 1.00 0.00 N ATOM 452 CA THR A 31 2.576 -3.221 13.191 1.00 0.00 C ATOM 453 C THR A 31 1.395 -3.310 12.230 1.00 0.00 C ATOM 454 O THR A 31 0.489 -2.479 12.265 1.00 0.00 O ATOM 455 CB THR A 31 3.731 -2.469 12.529 1.00 0.00 C ATOM 456 OG1 THR A 31 4.933 -2.656 13.255 1.00 0.00 O ATOM 457 CG2 THR A 31 3.489 -0.980 12.417 1.00 0.00 C ATOM 0 H THR A 31 3.755 -4.948 13.035 1.00 0.00 H new ATOM 0 HA THR A 31 2.258 -2.676 14.080 1.00 0.00 H new ATOM 0 HB THR A 31 3.808 -2.885 11.524 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.660 -2.169 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.347 -0.507 11.939 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.595 -0.801 11.819 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.351 -0.558 13.412 1.00 0.00 H new ATOM 465 N LEU A 32 1.413 -4.325 11.373 1.00 0.00 N ATOM 466 CA LEU A 32 0.344 -4.525 10.401 1.00 0.00 C ATOM 467 C LEU A 32 -0.993 -4.748 11.101 1.00 0.00 C ATOM 468 O LEU A 32 -2.047 -4.378 10.582 1.00 0.00 O ATOM 469 CB LEU A 32 0.666 -5.715 9.493 1.00 0.00 C ATOM 470 CG LEU A 32 0.383 -5.490 8.007 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.291 -4.404 7.449 1.00 0.00 C ATOM 472 CD2 LEU A 32 0.559 -6.786 7.231 1.00 0.00 C ATOM 0 H LEU A 32 2.156 -5.022 11.332 1.00 0.00 H new ATOM 0 HA LEU A 32 0.268 -3.625 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.719 -5.969 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.090 -6.577 9.831 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.650 -5.161 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.075 -4.258 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.117 -3.472 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.332 -4.703 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.354 -6.609 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.582 -7.143 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.133 -7.536 7.614 1.00 0.00 H new ATOM 484 N CYS A 33 -0.943 -5.355 12.282 1.00 0.00 N ATOM 485 CA CYS A 33 -2.150 -5.627 13.053 1.00 0.00 C ATOM 486 C CYS A 33 -2.824 -4.328 13.483 1.00 0.00 C ATOM 487 O CYS A 33 -4.052 -4.226 13.486 1.00 0.00 O ATOM 488 CB CYS A 33 -1.816 -6.472 14.284 1.00 0.00 C ATOM 489 SG CYS A 33 -3.231 -7.356 14.979 1.00 0.00 S ATOM 0 H CYS A 33 -0.080 -5.668 12.726 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.840 -6.182 12.417 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.045 -7.195 14.017 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.393 -5.824 15.052 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.848 -8.043 16.014 1.00 0.00 H new ATOM 495 N LEU A 34 -2.015 -3.337 13.846 1.00 0.00 N ATOM 496 CA LEU A 34 -2.535 -2.045 14.277 1.00 0.00 C ATOM 497 C LEU A 34 -3.164 -1.294 13.109 1.00 0.00 C ATOM 498 O LEU A 34 -4.120 -0.539 13.286 1.00 0.00 O ATOM 499 CB LEU A 34 -1.417 -1.204 14.896 1.00 0.00 C ATOM 500 CG LEU A 34 -0.590 -1.913 15.969 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.580 -1.044 16.403 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.463 -2.271 17.163 1.00 0.00 C ATOM 0 H LEU A 34 -0.997 -3.405 13.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.305 -2.223 15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.747 -0.876 14.101 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.857 -0.307 15.332 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.192 -2.835 15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.157 -1.565 17.167 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.218 -0.838 15.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.205 -0.105 16.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.859 -2.775 17.917 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.889 -1.362 17.587 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.267 -2.933 16.841 1.00 0.00 H new ATOM 514 N ILE A 35 -2.623 -1.506 11.913 1.00 0.00 N ATOM 515 CA ILE A 35 -3.134 -0.849 10.716 1.00 0.00 C ATOM 516 C ILE A 35 -4.451 -1.474 10.267 1.00 0.00 C ATOM 517 O ILE A 35 -5.347 -0.778 9.788 1.00 0.00 O ATOM 518 CB ILE A 35 -2.121 -0.923 9.557 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.739 -0.465 10.028 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.594 -0.078 8.384 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.369 -0.784 9.047 1.00 0.00 C ATOM 0 H ILE A 35 -1.831 -2.127 11.748 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.300 0.197 10.975 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.046 -1.959 9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.761 0.611 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.514 -0.938 10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.868 -0.141 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.559 -0.447 8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.695 0.960 8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.320 -0.431 9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.418 -1.862 8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.168 -0.289 8.097 1.00 0.00 H new ATOM 533 N ALA A 36 -4.561 -2.789 10.423 1.00 0.00 N ATOM 534 CA ALA A 36 -5.769 -3.506 10.034 1.00 0.00 C ATOM 535 C ALA A 36 -6.967 -3.054 10.862 1.00 0.00 C ATOM 536 O ALA A 36 -8.103 -3.066 10.388 1.00 0.00 O ATOM 537 CB ALA A 36 -5.560 -5.006 10.177 1.00 0.00 C ATOM 0 H ALA A 36 -3.828 -3.380 10.816 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.978 -3.277 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.470 -5.530 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.737 -5.321 9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.324 -5.243 11.214 1.00 0.00 H new ATOM 543 N ALA A 37 -6.706 -2.657 12.104 1.00 0.00 N ATOM 544 CA ALA A 37 -7.763 -2.202 12.998 1.00 0.00 C ATOM 545 C ALA A 37 -8.063 -0.722 12.786 1.00 0.00 C ATOM 546 O ALA A 37 -9.218 -0.299 12.839 1.00 0.00 O ATOM 547 CB ALA A 37 -7.375 -2.460 14.447 1.00 0.00 C ATOM 0 H ALA A 37 -5.772 -2.642 12.513 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.667 -2.766 12.768 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.173 -2.115 15.104 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.217 -3.528 14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.456 -1.922 14.679 1.00 0.00 H new ATOM 553 N GLU A 38 -7.017 0.061 12.544 1.00 0.00 N ATOM 554 CA GLU A 38 -7.169 1.495 12.323 1.00 0.00 C ATOM 555 C GLU A 38 -8.057 1.768 11.113 1.00 0.00 C ATOM 556 O GLU A 38 -9.086 2.435 11.224 1.00 0.00 O ATOM 557 CB GLU A 38 -5.801 2.150 12.123 1.00 0.00 C ATOM 558 CG GLU A 38 -5.719 3.565 12.673 1.00 0.00 C ATOM 559 CD GLU A 38 -4.319 4.142 12.587 1.00 0.00 C ATOM 560 OE1 GLU A 38 -3.438 3.677 13.341 1.00 0.00 O ATOM 561 OE2 GLU A 38 -4.104 5.058 11.767 1.00 0.00 O ATOM 0 H GLU A 38 -6.054 -0.273 12.496 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.644 1.924 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.040 1.537 12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.568 2.169 11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.407 4.206 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.046 3.567 13.713 1.00 0.00 H new ATOM 568 N ALA A 39 -7.654 1.247 9.958 1.00 0.00 N ATOM 569 CA ALA A 39 -8.413 1.435 8.728 1.00 0.00 C ATOM 570 C ALA A 39 -9.626 0.512 8.686 1.00 0.00 C ATOM 571 O ALA A 39 -10.695 0.896 8.212 1.00 0.00 O ATOM 572 CB ALA A 39 -7.524 1.196 7.518 1.00 0.00 C ATOM 0 H ALA A 39 -6.806 0.691 9.849 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.771 2.464 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.104 1.340 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.692 1.900 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.138 0.177 7.546 1.00 0.00 H new ATOM 578 N GLY A 40 -9.452 -0.708 9.185 1.00 0.00 N ATOM 579 CA GLY A 40 -10.542 -1.668 9.195 1.00 0.00 C ATOM 580 C GLY A 40 -10.369 -2.752 8.150 1.00 0.00 C ATOM 581 O GLY A 40 -11.348 -3.313 7.660 1.00 0.00 O ATOM 0 H GLY A 40 -8.577 -1.049 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.609 -2.126 10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.483 -1.146 9.021 1.00 0.00 H new ATOM 585 N LEU A 41 -9.119 -3.047 7.808 1.00 0.00 N ATOM 586 CA LEU A 41 -8.819 -4.071 6.815 1.00 0.00 C ATOM 587 C LEU A 41 -8.100 -5.255 7.453 1.00 0.00 C ATOM 588 O LEU A 41 -8.001 -5.346 8.677 1.00 0.00 O ATOM 589 CB LEU A 41 -7.964 -3.485 5.689 1.00 0.00 C ATOM 590 CG LEU A 41 -8.452 -2.145 5.136 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.274 -1.272 4.732 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.384 -2.366 3.953 1.00 0.00 C ATOM 0 H LEU A 41 -8.297 -2.591 8.204 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.762 -4.425 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.945 -3.360 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.924 -4.205 4.872 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.006 -1.630 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.641 -0.323 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.644 -1.086 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.691 -1.780 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.722 -1.403 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.853 -2.902 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.245 -2.952 4.273 1.00 0.00 H new ATOM 604 N THR A 42 -7.599 -6.158 6.617 1.00 0.00 N ATOM 605 CA THR A 42 -6.888 -7.336 7.102 1.00 0.00 C ATOM 606 C THR A 42 -5.393 -7.227 6.816 1.00 0.00 C ATOM 607 O THR A 42 -4.972 -6.465 5.945 1.00 0.00 O ATOM 608 CB THR A 42 -7.451 -8.601 6.450 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.257 -8.571 5.047 1.00 0.00 O ATOM 610 CG2 THR A 42 -8.931 -8.796 6.704 1.00 0.00 C ATOM 0 H THR A 42 -7.672 -6.097 5.601 1.00 0.00 H new ATOM 0 HA THR A 42 -7.030 -7.396 8.181 1.00 0.00 H new ATOM 0 HB THR A 42 -6.907 -9.428 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.909 -9.161 4.614 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.267 -9.710 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.109 -8.872 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.484 -7.946 6.304 1.00 0.00 H new ATOM 618 N GLU A 43 -4.598 -7.993 7.555 1.00 0.00 N ATOM 619 CA GLU A 43 -3.149 -7.983 7.381 1.00 0.00 C ATOM 620 C GLU A 43 -2.769 -8.370 5.954 1.00 0.00 C ATOM 621 O GLU A 43 -1.838 -7.809 5.376 1.00 0.00 O ATOM 622 CB GLU A 43 -2.489 -8.940 8.374 1.00 0.00 C ATOM 623 CG GLU A 43 -2.756 -8.587 9.828 1.00 0.00 C ATOM 624 CD GLU A 43 -3.662 -9.589 10.518 1.00 0.00 C ATOM 625 OE1 GLU A 43 -4.897 -9.449 10.406 1.00 0.00 O ATOM 626 OE2 GLU A 43 -3.134 -10.516 11.169 1.00 0.00 O ATOM 0 H GLU A 43 -4.932 -8.628 8.280 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.792 -6.971 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.846 -9.952 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.413 -8.944 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.808 -8.531 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.210 -7.597 9.880 1.00 0.00 H new ATOM 633 N GLU A 44 -3.495 -9.331 5.394 1.00 0.00 N ATOM 634 CA GLU A 44 -3.234 -9.792 4.035 1.00 0.00 C ATOM 635 C GLU A 44 -3.509 -8.685 3.023 1.00 0.00 C ATOM 636 O GLU A 44 -2.797 -8.549 2.027 1.00 0.00 O ATOM 637 CB GLU A 44 -4.095 -11.016 3.715 1.00 0.00 C ATOM 638 CG GLU A 44 -3.855 -11.581 2.324 1.00 0.00 C ATOM 639 CD GLU A 44 -3.721 -13.091 2.322 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.763 -13.779 2.352 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.575 -13.587 2.292 1.00 0.00 O ATOM 0 H GLU A 44 -4.268 -9.806 5.859 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.182 -10.068 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.896 -11.793 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.147 -10.746 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.679 -11.292 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.950 -11.139 1.908 1.00 0.00 H new ATOM 648 N GLN A 45 -4.544 -7.894 3.284 1.00 0.00 N ATOM 649 CA GLN A 45 -4.914 -6.798 2.396 1.00 0.00 C ATOM 650 C GLN A 45 -3.964 -5.617 2.566 1.00 0.00 C ATOM 651 O GLN A 45 -3.484 -5.046 1.586 1.00 0.00 O ATOM 652 CB GLN A 45 -6.351 -6.355 2.669 1.00 0.00 C ATOM 653 CG GLN A 45 -7.398 -7.324 2.142 1.00 0.00 C ATOM 654 CD GLN A 45 -8.785 -6.713 2.091 1.00 0.00 C ATOM 655 OE1 GLN A 45 -9.126 -5.850 2.900 1.00 0.00 O ATOM 656 NE2 GLN A 45 -9.594 -7.160 1.138 1.00 0.00 N ATOM 0 H GLN A 45 -5.142 -7.992 4.104 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.841 -7.155 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.487 -6.235 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.513 -5.377 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.113 -7.653 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.419 -8.211 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.270 -7.877 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.540 -6.787 1.055 1.00 0.00 H new ATOM 665 N THR A 46 -3.697 -5.253 3.817 1.00 0.00 N ATOM 666 CA THR A 46 -2.805 -4.139 4.115 1.00 0.00 C ATOM 667 C THR A 46 -1.405 -4.402 3.571 1.00 0.00 C ATOM 668 O THR A 46 -0.699 -3.475 3.173 1.00 0.00 O ATOM 669 CB THR A 46 -2.741 -3.900 5.624 1.00 0.00 C ATOM 670 OG1 THR A 46 -4.044 -3.804 6.172 1.00 0.00 O ATOM 671 CG2 THR A 46 -1.991 -2.640 5.999 1.00 0.00 C ATOM 0 H THR A 46 -4.086 -5.714 4.640 1.00 0.00 H new ATOM 0 HA THR A 46 -3.203 -3.248 3.629 1.00 0.00 H new ATOM 0 HB THR A 46 -2.204 -4.757 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.433 -4.700 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.983 -2.530 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.966 -2.704 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.483 -1.777 5.551 1.00 0.00 H new ATOM 679 N GLN A 47 -1.009 -5.670 3.556 1.00 0.00 N ATOM 680 CA GLN A 47 0.308 -6.053 3.060 1.00 0.00 C ATOM 681 C GLN A 47 0.408 -5.829 1.554 1.00 0.00 C ATOM 682 O GLN A 47 1.427 -5.351 1.054 1.00 0.00 O ATOM 683 CB GLN A 47 0.593 -7.520 3.389 1.00 0.00 C ATOM 684 CG GLN A 47 2.074 -7.854 3.444 1.00 0.00 C ATOM 685 CD GLN A 47 2.375 -9.258 2.959 1.00 0.00 C ATOM 686 OE1 GLN A 47 3.271 -9.467 2.141 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.623 -10.231 3.462 1.00 0.00 N ATOM 0 H GLN A 47 -1.581 -6.450 3.881 1.00 0.00 H new ATOM 0 HA GLN A 47 1.051 -5.426 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.138 -7.763 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.114 -8.151 2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.627 -7.138 2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.429 -7.744 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.891 -10.012 4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.778 -11.197 3.172 1.00 0.00 H new ATOM 696 N LYS A 48 -0.656 -6.175 0.837 1.00 0.00 N ATOM 697 CA LYS A 48 -0.688 -6.009 -0.611 1.00 0.00 C ATOM 698 C LYS A 48 -0.518 -4.543 -0.993 1.00 0.00 C ATOM 699 O LYS A 48 0.180 -4.218 -1.954 1.00 0.00 O ATOM 700 CB LYS A 48 -2.004 -6.546 -1.176 1.00 0.00 C ATOM 701 CG LYS A 48 -2.115 -8.062 -1.124 1.00 0.00 C ATOM 702 CD LYS A 48 -1.029 -8.728 -1.952 1.00 0.00 C ATOM 703 CE LYS A 48 -1.275 -10.221 -2.093 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.866 -10.971 -0.874 1.00 0.00 N ATOM 0 H LYS A 48 -1.507 -6.572 1.235 1.00 0.00 H new ATOM 0 HA LYS A 48 0.141 -6.575 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.834 -6.110 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.107 -6.218 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.043 -8.398 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.094 -8.369 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.990 -8.269 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.059 -8.560 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.333 -10.397 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.724 -10.600 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.051 -11.985 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.149 -10.824 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.410 -10.628 -0.057 1.00 0.00 H new ATOM 718 N TRP A 49 -1.161 -3.661 -0.236 1.00 0.00 N ATOM 719 CA TRP A 49 -1.082 -2.228 -0.493 1.00 0.00 C ATOM 720 C TRP A 49 0.358 -1.736 -0.396 1.00 0.00 C ATOM 721 O TRP A 49 0.818 -0.960 -1.233 1.00 0.00 O ATOM 722 CB TRP A 49 -1.962 -1.462 0.495 1.00 0.00 C ATOM 723 CG TRP A 49 -2.117 -0.011 0.155 1.00 0.00 C ATOM 724 CD1 TRP A 49 -3.169 0.570 -0.494 1.00 0.00 C ATOM 725 CD2 TRP A 49 -1.190 1.041 0.443 1.00 0.00 C ATOM 726 NE1 TRP A 49 -2.952 1.920 -0.626 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.744 2.234 -0.058 1.00 0.00 C ATOM 728 CE3 TRP A 49 0.054 1.091 1.078 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -1.097 3.462 0.057 1.00 0.00 C ATOM 730 CZ3 TRP A 49 0.696 2.311 1.191 1.00 0.00 C ATOM 731 CH2 TRP A 49 0.120 3.481 0.683 1.00 0.00 C ATOM 0 H TRP A 49 -1.744 -3.914 0.562 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.442 -2.046 -1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.947 -1.927 0.528 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.535 -1.550 1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.043 0.045 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.586 2.581 -1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.506 0.193 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.540 4.366 -0.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.658 2.362 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.647 4.418 0.787 1.00 0.00 H new ATOM 742 N PHE A 50 1.066 -2.195 0.631 1.00 0.00 N ATOM 743 CA PHE A 50 2.456 -1.803 0.839 1.00 0.00 C ATOM 744 C PHE A 50 3.364 -2.451 -0.200 1.00 0.00 C ATOM 745 O PHE A 50 4.322 -1.837 -0.672 1.00 0.00 O ATOM 746 CB PHE A 50 2.912 -2.192 2.246 1.00 0.00 C ATOM 747 CG PHE A 50 2.520 -1.197 3.302 1.00 0.00 C ATOM 748 CD1 PHE A 50 1.185 -0.962 3.589 1.00 0.00 C ATOM 749 CD2 PHE A 50 3.487 -0.499 4.006 1.00 0.00 C ATOM 750 CE1 PHE A 50 0.822 -0.047 4.559 1.00 0.00 C ATOM 751 CE2 PHE A 50 3.129 0.417 4.978 1.00 0.00 C ATOM 752 CZ PHE A 50 1.795 0.643 5.254 1.00 0.00 C ATOM 0 H PHE A 50 0.700 -2.839 1.332 1.00 0.00 H new ATOM 0 HA PHE A 50 2.523 -0.721 0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.490 -3.164 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.996 -2.305 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.420 -1.500 3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.532 -0.672 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.222 0.128 4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.892 0.955 5.521 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.513 1.358 6.012 1.00 0.00 H new ATOM 762 N LYS A 51 3.059 -3.696 -0.552 1.00 0.00 N ATOM 763 CA LYS A 51 3.850 -4.428 -1.535 1.00 0.00 C ATOM 764 C LYS A 51 3.697 -3.815 -2.922 1.00 0.00 C ATOM 765 O LYS A 51 4.619 -3.861 -3.736 1.00 0.00 O ATOM 766 CB LYS A 51 3.429 -5.899 -1.565 1.00 0.00 C ATOM 767 CG LYS A 51 4.441 -6.808 -2.241 1.00 0.00 C ATOM 768 CD LYS A 51 4.023 -7.148 -3.664 1.00 0.00 C ATOM 769 CE LYS A 51 5.210 -7.596 -4.501 1.00 0.00 C ATOM 770 NZ LYS A 51 5.729 -6.498 -5.362 1.00 0.00 N ATOM 0 H LYS A 51 2.270 -4.219 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 51 4.898 -4.363 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.269 -6.243 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.474 -5.984 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.417 -6.322 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.550 -7.726 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.271 -7.937 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.559 -6.277 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.005 -7.949 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.916 -8.439 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.766 -6.558 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.329 -6.588 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.455 -5.580 -4.957 1.00 0.00 H new ATOM 784 N GLN A 52 2.527 -3.242 -3.185 1.00 0.00 N ATOM 785 CA GLN A 52 2.254 -2.619 -4.476 1.00 0.00 C ATOM 786 C GLN A 52 2.743 -1.175 -4.498 1.00 0.00 C ATOM 787 O GLN A 52 3.387 -0.741 -5.453 1.00 0.00 O ATOM 788 CB GLN A 52 0.756 -2.669 -4.783 1.00 0.00 C ATOM 789 CG GLN A 52 0.339 -3.898 -5.574 1.00 0.00 C ATOM 790 CD GLN A 52 -1.137 -3.893 -5.925 1.00 0.00 C ATOM 791 OE1 GLN A 52 -1.645 -2.932 -6.504 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.832 -4.969 -5.575 1.00 0.00 N ATOM 0 H GLN A 52 1.753 -3.196 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 52 2.793 -3.177 -5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.200 -2.644 -3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.478 -1.776 -5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.926 -3.952 -6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.568 -4.793 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.369 -5.742 -5.097 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.829 -5.023 -5.785 1.00 0.00 H new ATOM 801 N ARG A 53 2.432 -0.433 -3.439 1.00 0.00 N ATOM 802 CA ARG A 53 2.840 0.964 -3.338 1.00 0.00 C ATOM 803 C ARG A 53 4.360 1.089 -3.327 1.00 0.00 C ATOM 804 O ARG A 53 4.913 2.089 -3.787 1.00 0.00 O ATOM 805 CB ARG A 53 2.256 1.597 -2.072 1.00 0.00 C ATOM 806 CG ARG A 53 2.059 3.100 -2.180 1.00 0.00 C ATOM 807 CD ARG A 53 0.762 3.441 -2.897 1.00 0.00 C ATOM 808 NE ARG A 53 0.745 4.824 -3.366 1.00 0.00 N ATOM 809 CZ ARG A 53 -0.143 5.302 -4.235 1.00 0.00 C ATOM 810 NH1 ARG A 53 -1.087 4.512 -4.731 1.00 0.00 N ATOM 811 NH2 ARG A 53 -0.088 6.573 -4.608 1.00 0.00 N ATOM 0 H ARG A 53 1.899 -0.776 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 53 2.457 1.492 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.297 1.128 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.917 1.385 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.051 3.540 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.899 3.541 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.628 2.769 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.079 3.276 -2.224 1.00 0.00 H new ATOM 0 HE ARG A 53 1.456 5.461 -3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.135 3.534 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.765 4.883 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.635 7.185 -4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.768 6.939 -5.274 1.00 0.00 H new ATOM 825 N LEU A 54 5.030 0.069 -2.799 1.00 0.00 N ATOM 826 CA LEU A 54 6.487 0.066 -2.729 1.00 0.00 C ATOM 827 C LEU A 54 7.101 0.193 -4.120 1.00 0.00 C ATOM 828 O LEU A 54 8.134 0.838 -4.296 1.00 0.00 O ATOM 829 CB LEU A 54 6.982 -1.216 -2.051 1.00 0.00 C ATOM 830 CG LEU A 54 7.407 -1.053 -0.591 1.00 0.00 C ATOM 831 CD1 LEU A 54 7.638 -2.411 0.051 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.658 -0.194 -0.495 1.00 0.00 C ATOM 0 H LEU A 54 4.587 -0.765 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 54 6.800 0.926 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.191 -1.965 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.827 -1.606 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 54 6.604 -0.552 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.940 -2.276 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.717 -2.993 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.423 -2.940 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.947 -0.088 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.468 -0.668 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.457 0.790 -0.918 1.00 0.00 H new ATOM 844 N ALA A 55 6.458 -0.426 -5.104 1.00 0.00 N ATOM 845 CA ALA A 55 6.940 -0.382 -6.479 1.00 0.00 C ATOM 846 C ALA A 55 7.014 1.052 -6.990 1.00 0.00 C ATOM 847 O ALA A 55 7.892 1.396 -7.780 1.00 0.00 O ATOM 848 CB ALA A 55 6.043 -1.220 -7.378 1.00 0.00 C ATOM 0 H ALA A 55 5.601 -0.964 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 55 7.947 -0.798 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.414 -1.179 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.045 -2.254 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.026 -0.829 -7.344 1.00 0.00 H new ATOM 854 N GLU A 56 6.086 1.887 -6.534 1.00 0.00 N ATOM 855 CA GLU A 56 6.045 3.285 -6.944 1.00 0.00 C ATOM 856 C GLU A 56 6.914 4.147 -6.033 1.00 0.00 C ATOM 857 O GLU A 56 7.464 5.161 -6.461 1.00 0.00 O ATOM 858 CB GLU A 56 4.605 3.801 -6.930 1.00 0.00 C ATOM 859 CG GLU A 56 3.822 3.454 -8.187 1.00 0.00 C ATOM 860 CD GLU A 56 3.438 4.680 -8.992 1.00 0.00 C ATOM 861 OE1 GLU A 56 4.250 5.115 -9.835 1.00 0.00 O ATOM 862 OE2 GLU A 56 2.325 5.204 -8.781 1.00 0.00 O ATOM 0 H GLU A 56 5.351 1.619 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 56 6.438 3.350 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.088 3.387 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.617 4.884 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.419 2.787 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.920 2.909 -7.910 1.00 0.00 H new ATOM 869 N TRP A 57 7.033 3.737 -4.774 1.00 0.00 N ATOM 870 CA TRP A 57 7.833 4.472 -3.802 1.00 0.00 C ATOM 871 C TRP A 57 9.302 4.495 -4.212 1.00 0.00 C ATOM 872 O TRP A 57 9.969 5.525 -4.110 1.00 0.00 O ATOM 873 CB TRP A 57 7.687 3.846 -2.413 1.00 0.00 C ATOM 874 CG TRP A 57 8.439 4.584 -1.347 1.00 0.00 C ATOM 875 CD1 TRP A 57 7.991 5.644 -0.613 1.00 0.00 C ATOM 876 CD2 TRP A 57 9.772 4.316 -0.897 1.00 0.00 C ATOM 877 NE1 TRP A 57 8.964 6.052 0.268 1.00 0.00 N ATOM 878 CE2 TRP A 57 10.067 5.253 0.112 1.00 0.00 C ATOM 879 CE3 TRP A 57 10.744 3.375 -1.248 1.00 0.00 C ATOM 880 CZ2 TRP A 57 11.293 5.275 0.772 1.00 0.00 C ATOM 881 CZ3 TRP A 57 11.960 3.399 -0.592 1.00 0.00 C ATOM 882 CH2 TRP A 57 12.225 4.342 0.409 1.00 0.00 C ATOM 0 H TRP A 57 6.585 2.899 -4.403 1.00 0.00 H new ATOM 0 HA TRP A 57 7.468 5.499 -3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.631 3.814 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.039 2.815 -2.448 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.015 6.096 -0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.879 6.823 0.930 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.548 2.643 -2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 11.500 6.003 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.719 2.678 -0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 57 13.185 4.332 0.904 1.00 0.00 H new ATOM 893 N ARG A 58 9.802 3.353 -4.673 1.00 0.00 N ATOM 894 CA ARG A 58 11.193 3.243 -5.096 1.00 0.00 C ATOM 895 C ARG A 58 11.498 4.216 -6.231 1.00 0.00 C ATOM 896 O ARG A 58 12.626 4.689 -6.369 1.00 0.00 O ATOM 897 CB ARG A 58 11.504 1.812 -5.540 1.00 0.00 C ATOM 898 CG ARG A 58 11.413 0.793 -4.415 1.00 0.00 C ATOM 899 CD ARG A 58 12.009 -0.544 -4.823 1.00 0.00 C ATOM 900 NE ARG A 58 13.453 -0.460 -5.034 1.00 0.00 N ATOM 901 CZ ARG A 58 14.023 -0.184 -6.206 1.00 0.00 C ATOM 902 NH1 ARG A 58 13.278 0.042 -7.282 1.00 0.00 N ATOM 903 NH2 ARG A 58 15.345 -0.133 -6.303 1.00 0.00 N ATOM 0 H ARG A 58 9.264 2.491 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 58 11.824 3.497 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.812 1.528 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.507 1.782 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.935 1.172 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.370 0.656 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.798 -1.285 -4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.529 -0.891 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 58 14.063 -0.623 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.261 0.005 -7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.723 0.253 -8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.924 -0.305 -5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.783 0.078 -7.200 1.00 0.00 H new ATOM 917 N ARG A 59 10.486 4.511 -7.040 1.00 0.00 N ATOM 918 CA ARG A 59 10.649 5.427 -8.163 1.00 0.00 C ATOM 919 C ARG A 59 10.686 6.875 -7.685 1.00 0.00 C ATOM 920 O ARG A 59 11.406 7.704 -8.242 1.00 0.00 O ATOM 921 CB ARG A 59 9.512 5.239 -9.170 1.00 0.00 C ATOM 922 CG ARG A 59 9.631 3.966 -9.990 1.00 0.00 C ATOM 923 CD ARG A 59 8.269 3.347 -10.260 1.00 0.00 C ATOM 924 NE ARG A 59 7.357 4.290 -10.902 1.00 0.00 N ATOM 925 CZ ARG A 59 7.384 4.581 -12.201 1.00 0.00 C ATOM 926 NH1 ARG A 59 8.276 4.005 -12.999 1.00 0.00 N ATOM 927 NH2 ARG A 59 6.517 5.449 -12.704 1.00 0.00 N ATOM 0 H ARG A 59 9.545 4.130 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 59 11.598 5.200 -8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.562 5.230 -8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.490 6.095 -9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.125 4.186 -10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.259 3.249 -9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.389 2.469 -10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.834 3.004 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 59 6.658 4.753 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.945 3.336 -12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.292 4.232 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.829 5.894 -12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.538 5.672 -13.699 1.00 0.00 H new ATOM 941 N SER A 60 9.906 7.173 -6.651 1.00 0.00 N ATOM 942 CA SER A 60 9.851 8.521 -6.098 1.00 0.00 C ATOM 943 C SER A 60 11.099 8.826 -5.277 1.00 0.00 C ATOM 944 O SER A 60 11.941 9.629 -5.684 1.00 0.00 O ATOM 945 CB SER A 60 8.603 8.688 -5.229 1.00 0.00 C ATOM 946 OG SER A 60 8.641 7.821 -4.110 1.00 0.00 O ATOM 0 H SER A 60 9.303 6.499 -6.179 1.00 0.00 H new ATOM 0 HA SER A 60 9.805 9.224 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.528 9.721 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.712 8.482 -5.823 1.00 0.00 H new ATOM 0 HG SER A 60 8.909 6.924 -4.400 1.00 0.00 H new ATOM 952 N GLU A 61 11.214 8.181 -4.121 1.00 0.00 N ATOM 953 CA GLU A 61 12.361 8.384 -3.242 1.00 0.00 C ATOM 954 C GLU A 61 13.663 8.035 -3.955 1.00 0.00 C ATOM 955 O GLU A 61 14.631 8.793 -3.907 1.00 0.00 O ATOM 956 CB GLU A 61 12.215 7.537 -1.976 1.00 0.00 C ATOM 957 CG GLU A 61 11.507 8.255 -0.840 1.00 0.00 C ATOM 958 CD GLU A 61 12.460 8.711 0.247 1.00 0.00 C ATOM 959 OE1 GLU A 61 12.869 7.865 1.070 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.798 9.913 0.275 1.00 0.00 O ATOM 0 H GLU A 61 10.527 7.513 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 61 12.393 9.438 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.664 6.628 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.205 7.230 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.975 9.119 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.759 7.592 -0.407 1.00 0.00 H new ATOM 967 N GLY A 62 13.679 6.883 -4.616 1.00 0.00 N ATOM 968 CA GLY A 62 14.867 6.453 -5.330 1.00 0.00 C ATOM 969 C GLY A 62 15.862 5.749 -4.427 1.00 0.00 C ATOM 970 O GLY A 62 16.252 6.282 -3.388 1.00 0.00 O ATOM 0 H GLY A 62 12.890 6.239 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.578 5.783 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.345 7.319 -5.788 1.00 0.00 H new ATOM 974 N LEU A 63 16.274 4.550 -4.825 1.00 0.00 N ATOM 975 CA LEU A 63 17.229 3.772 -4.044 1.00 0.00 C ATOM 976 C LEU A 63 18.362 3.255 -4.928 1.00 0.00 C ATOM 977 O LEU A 63 18.255 3.256 -6.154 1.00 0.00 O ATOM 978 CB LEU A 63 16.522 2.602 -3.355 1.00 0.00 C ATOM 979 CG LEU A 63 16.240 2.803 -1.865 1.00 0.00 C ATOM 980 CD1 LEU A 63 15.043 3.722 -1.668 1.00 0.00 C ATOM 981 CD2 LEU A 63 16.003 1.465 -1.182 1.00 0.00 C ATOM 0 H LEU A 63 15.962 4.096 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 63 17.658 4.424 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.577 2.416 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 63 17.132 1.707 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 63 17.112 3.272 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.857 3.854 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.249 4.691 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.164 3.281 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.804 1.627 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.147 0.969 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.888 0.838 -1.293 1.00 0.00 H new ATOM 993 N PRO A 64 19.468 2.802 -4.312 1.00 0.00 N ATOM 994 CA PRO A 64 20.624 2.279 -5.047 1.00 0.00 C ATOM 995 C PRO A 64 20.332 0.936 -5.706 1.00 0.00 C ATOM 996 O PRO A 64 19.187 0.484 -5.736 1.00 0.00 O ATOM 997 CB PRO A 64 21.694 2.123 -3.964 1.00 0.00 C ATOM 998 CG PRO A 64 20.928 1.943 -2.700 1.00 0.00 C ATOM 999 CD PRO A 64 19.678 2.765 -2.852 1.00 0.00 C ATOM 0 HA PRO A 64 20.919 2.938 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 64 22.337 1.266 -4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 64 22.339 3.000 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 64 20.687 0.893 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 64 21.511 2.274 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 64 18.833 2.310 -2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 19.803 3.766 -2.439 1.00 0.00 H new ATOM 1007 N SER A 65 21.375 0.301 -6.232 1.00 0.00 N ATOM 1008 CA SER A 65 21.231 -0.992 -6.890 1.00 0.00 C ATOM 1009 C SER A 65 20.287 -0.894 -8.084 1.00 0.00 C ATOM 1010 O SER A 65 19.068 -0.832 -7.920 1.00 0.00 O ATOM 1011 CB SER A 65 20.713 -2.037 -5.899 1.00 0.00 C ATOM 1012 OG SER A 65 21.364 -3.283 -6.084 1.00 0.00 O ATOM 0 H SER A 65 22.329 0.661 -6.215 1.00 0.00 H new ATOM 0 HA SER A 65 22.213 -1.299 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.874 -1.687 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.638 -2.162 -6.027 1.00 0.00 H new ATOM 0 HG SER A 65 21.017 -3.933 -5.438 1.00 0.00 H new ATOM 1018 N GLU A 66 20.858 -0.879 -9.283 1.00 0.00 N ATOM 1019 CA GLU A 66 20.067 -0.787 -10.505 1.00 0.00 C ATOM 1020 C GLU A 66 19.754 -2.175 -11.055 1.00 0.00 C ATOM 1021 O GLU A 66 18.708 -2.389 -11.666 1.00 0.00 O ATOM 1022 CB GLU A 66 20.812 0.036 -11.557 1.00 0.00 C ATOM 1023 CG GLU A 66 19.900 0.642 -12.612 1.00 0.00 C ATOM 1024 CD GLU A 66 19.654 2.121 -12.390 1.00 0.00 C ATOM 1025 OE1 GLU A 66 20.632 2.852 -12.119 1.00 0.00 O ATOM 1026 OE2 GLU A 66 18.486 2.550 -12.486 1.00 0.00 O ATOM 0 H GLU A 66 21.865 -0.929 -9.435 1.00 0.00 H new ATOM 0 HA GLU A 66 19.127 -0.291 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.360 0.836 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.550 -0.599 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.342 0.495 -13.597 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.946 0.114 -12.609 1.00 0.00 H new ATOM 1033 N CYS A 67 20.668 -3.114 -10.836 1.00 0.00 N ATOM 1034 CA CYS A 67 20.490 -4.481 -11.310 1.00 0.00 C ATOM 1035 C CYS A 67 19.629 -5.285 -10.342 1.00 0.00 C ATOM 1036 O CYS A 67 19.455 -4.902 -9.185 1.00 0.00 O ATOM 1037 CB CYS A 67 21.847 -5.163 -11.492 1.00 0.00 C ATOM 1038 SG CYS A 67 22.545 -4.988 -13.151 1.00 0.00 S ATOM 0 H CYS A 67 21.540 -2.953 -10.333 1.00 0.00 H new ATOM 0 HA CYS A 67 19.981 -4.440 -12.273 1.00 0.00 H new ATOM 0 HB2 CYS A 67 22.549 -4.749 -10.768 1.00 0.00 H new ATOM 0 HB3 CYS A 67 21.742 -6.224 -11.264 1.00 0.00 H new ATOM 0 HG CYS A 67 23.693 -5.596 -13.205 1.00 0.00 H new ATOM 1044 N ARG A 68 19.091 -6.401 -10.823 1.00 0.00 N ATOM 1045 CA ARG A 68 18.247 -7.260 -10.000 1.00 0.00 C ATOM 1046 C ARG A 68 18.547 -8.732 -10.266 1.00 0.00 C ATOM 1047 O ARG A 68 18.938 -9.470 -9.361 1.00 0.00 O ATOM 1048 CB ARG A 68 16.770 -6.971 -10.271 1.00 0.00 C ATOM 1049 CG ARG A 68 15.877 -7.175 -9.057 1.00 0.00 C ATOM 1050 CD ARG A 68 14.570 -7.860 -9.429 1.00 0.00 C ATOM 1051 NE ARG A 68 13.407 -7.088 -8.999 1.00 0.00 N ATOM 1052 CZ ARG A 68 13.101 -6.856 -7.725 1.00 0.00 C ATOM 1053 NH1 ARG A 68 13.868 -7.335 -6.754 1.00 0.00 N ATOM 1054 NH2 ARG A 68 12.024 -6.145 -7.421 1.00 0.00 N ATOM 0 H ARG A 68 19.224 -6.732 -11.779 1.00 0.00 H new ATOM 0 HA ARG A 68 18.465 -7.046 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.667 -5.943 -10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.424 -7.616 -11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.404 -7.774 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.664 -6.211 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.531 -8.004 -10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.537 -8.850 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 68 12.793 -6.704 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.697 -7.884 -6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.629 -7.154 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.430 -5.776 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.789 -5.967 -6.444 1.00 0.00 H new ATOM 1068 N SER A 69 18.359 -9.153 -11.512 1.00 0.00 N ATOM 1069 CA SER A 69 18.610 -10.538 -11.897 1.00 0.00 C ATOM 1070 C SER A 69 19.879 -10.648 -12.735 1.00 0.00 C ATOM 1071 O SER A 69 20.563 -9.654 -12.978 1.00 0.00 O ATOM 1072 CB SER A 69 17.419 -11.096 -12.679 1.00 0.00 C ATOM 1073 OG SER A 69 16.311 -11.325 -11.825 1.00 0.00 O ATOM 0 H SER A 69 18.034 -8.556 -12.272 1.00 0.00 H new ATOM 0 HA SER A 69 18.745 -11.123 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.137 -10.397 -13.466 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.705 -12.028 -13.167 1.00 0.00 H new ATOM 0 HG SER A 69 15.562 -11.680 -12.348 1.00 0.00 H new ATOM 1079 N VAL A 70 20.188 -11.864 -13.174 1.00 0.00 N ATOM 1080 CA VAL A 70 21.376 -12.105 -13.985 1.00 0.00 C ATOM 1081 C VAL A 70 21.004 -12.372 -15.439 1.00 0.00 C ATOM 1082 O VAL A 70 20.324 -13.352 -15.746 1.00 0.00 O ATOM 1083 CB VAL A 70 22.190 -13.297 -13.448 1.00 0.00 C ATOM 1084 CG1 VAL A 70 23.520 -13.408 -14.178 1.00 0.00 C ATOM 1085 CG2 VAL A 70 22.407 -13.165 -11.949 1.00 0.00 C ATOM 0 H VAL A 70 19.632 -12.697 -12.982 1.00 0.00 H new ATOM 0 HA VAL A 70 21.986 -11.203 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 70 21.624 -14.210 -13.630 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.081 -14.256 -13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 70 23.339 -13.555 -15.243 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.094 -12.493 -14.030 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.984 -14.017 -11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.951 -12.244 -11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 70 21.442 -13.140 -11.443 1.00 0.00 H new ATOM 1095 N THR A 71 21.456 -11.496 -16.330 1.00 0.00 N ATOM 1096 CA THR A 71 21.171 -11.638 -17.753 1.00 0.00 C ATOM 1097 C THR A 71 22.075 -12.691 -18.386 1.00 0.00 C ATOM 1098 O THR A 71 23.190 -12.927 -17.920 1.00 0.00 O ATOM 1099 CB THR A 71 21.352 -10.298 -18.468 1.00 0.00 C ATOM 1100 OG1 THR A 71 20.989 -9.224 -17.618 1.00 0.00 O ATOM 1101 CG2 THR A 71 20.532 -10.179 -19.734 1.00 0.00 C ATOM 0 H THR A 71 22.021 -10.681 -16.092 1.00 0.00 H new ATOM 0 HA THR A 71 20.136 -11.961 -17.860 1.00 0.00 H new ATOM 0 HB THR A 71 22.408 -10.253 -18.734 1.00 0.00 H new ATOM 0 HG1 THR A 71 21.113 -8.375 -18.092 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.707 -9.205 -20.191 1.00 0.00 H new ATOM 0 HG22 THR A 71 20.823 -10.965 -20.431 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.474 -10.282 -19.493 1.00 0.00 H new ATOM 1109 N ASP A 72 21.589 -13.320 -19.450 1.00 0.00 N ATOM 1110 CA ASP A 72 22.354 -14.347 -20.148 1.00 0.00 C ATOM 1111 C ASP A 72 23.300 -13.723 -21.168 1.00 0.00 C ATOM 1112 O ASP A 72 22.807 -13.037 -22.089 1.00 0.00 O ATOM 1113 CB ASP A 72 21.411 -15.331 -20.842 1.00 0.00 C ATOM 1114 CG ASP A 72 20.600 -16.149 -19.857 1.00 0.00 C ATOM 1115 OD1 ASP A 72 20.249 -15.611 -18.785 1.00 0.00 O ATOM 1116 OD2 ASP A 72 20.317 -17.328 -20.156 1.00 0.00 O ATOM 1117 OXT ASP A 72 24.525 -13.925 -21.039 1.00 0.00 O ATOM 0 H ASP A 72 20.668 -13.137 -19.848 1.00 0.00 H new ATOM 0 HA ASP A 72 22.950 -14.885 -19.411 1.00 0.00 H new ATOM 0 HB2 ASP A 72 20.735 -14.781 -21.497 1.00 0.00 H new ATOM 0 HB3 ASP A 72 21.992 -16.002 -21.475 1.00 0.00 H new TER 1122 ASP A 72