USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 73 MET CE :methyl 158:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 ASN : amide:sc= -3.49! K(o=-6!,f=-3.1) USER MOD Set 2.2: A 55 ASN : amide:sc= -2.52! K(o=-6!,f=-3) USER MOD Set 3.1: A 15 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 81 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 167:sc= 0 (180deg=-0.113) USER MOD Single : A 28 THR OG1 : rot 165:sc= -4.11! USER MOD Single : A 38 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-2.6!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 49 ASN : amide:sc=-0.000746 X(o=-0.00075,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -0.48 USER MOD Single : A 61 GLN : amide:sc= -0.634 K(o=-0.63,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 75 SER OG : rot -136:sc= -2.13! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -68:sc= 0.835 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 48:sc= 0.55 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.572 -9.514 -15.116 1.00 0.00 N ATOM 2 CA GLY A 1 -6.608 -10.944 -15.373 1.00 0.00 C ATOM 3 C GLY A 1 -7.585 -11.646 -14.427 1.00 0.00 C ATOM 4 O GLY A 1 -7.180 -12.471 -13.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.902 -9.060 -15.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.521 -9.112 -15.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.267 -9.345 -14.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.904 -11.124 -16.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.610 -11.365 -15.249 1.00 0.00 H new ATOM 8 N SER A 2 -8.854 -11.293 -14.570 1.00 0.00 N ATOM 9 CA SER A 2 -9.892 -11.879 -13.739 1.00 0.00 C ATOM 10 C SER A 2 -11.272 -11.469 -14.259 1.00 0.00 C ATOM 11 O SER A 2 -11.441 -10.369 -14.782 1.00 0.00 O ATOM 12 CB SER A 2 -9.730 -11.459 -12.277 1.00 0.00 C ATOM 13 OG SER A 2 -9.845 -10.048 -12.111 1.00 0.00 O ATOM 0 H SER A 2 -9.187 -10.608 -15.249 1.00 0.00 H new ATOM 0 HA SER A 2 -9.799 -12.964 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.486 -11.958 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.758 -11.789 -11.910 1.00 0.00 H new ATOM 0 HG SER A 2 -9.738 -9.820 -11.164 1.00 0.00 H new ATOM 19 N SER A 3 -12.223 -12.377 -14.097 1.00 0.00 N ATOM 20 CA SER A 3 -13.583 -12.124 -14.543 1.00 0.00 C ATOM 21 C SER A 3 -14.577 -12.562 -13.466 1.00 0.00 C ATOM 22 O SER A 3 -15.391 -11.763 -13.006 1.00 0.00 O ATOM 23 CB SER A 3 -13.874 -12.847 -15.860 1.00 0.00 C ATOM 24 OG SER A 3 -15.161 -12.519 -16.376 1.00 0.00 O ATOM 0 H SER A 3 -12.079 -13.289 -13.663 1.00 0.00 H new ATOM 0 HA SER A 3 -13.693 -11.053 -14.716 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.112 -12.585 -16.594 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.810 -13.924 -15.704 1.00 0.00 H new ATOM 0 HG SER A 3 -15.308 -12.999 -17.218 1.00 0.00 H new ATOM 30 N GLY A 4 -14.479 -13.830 -13.095 1.00 0.00 N ATOM 31 CA GLY A 4 -15.359 -14.384 -12.081 1.00 0.00 C ATOM 32 C GLY A 4 -14.558 -14.923 -10.894 1.00 0.00 C ATOM 33 O GLY A 4 -13.608 -15.683 -11.075 1.00 0.00 O ATOM 0 H GLY A 4 -13.803 -14.490 -13.479 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.052 -13.616 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.959 -15.185 -12.513 1.00 0.00 H new ATOM 37 N SER A 5 -14.971 -14.508 -9.705 1.00 0.00 N ATOM 38 CA SER A 5 -14.303 -14.939 -8.489 1.00 0.00 C ATOM 39 C SER A 5 -15.216 -14.712 -7.282 1.00 0.00 C ATOM 40 O SER A 5 -15.805 -13.642 -7.137 1.00 0.00 O ATOM 41 CB SER A 5 -12.977 -14.201 -8.297 1.00 0.00 C ATOM 42 OG SER A 5 -12.035 -14.977 -7.561 1.00 0.00 O ATOM 0 H SER A 5 -15.760 -13.878 -9.558 1.00 0.00 H new ATOM 0 HA SER A 5 -14.085 -16.003 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.557 -13.950 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.158 -13.261 -7.776 1.00 0.00 H new ATOM 0 HG SER A 5 -11.201 -14.471 -7.462 1.00 0.00 H new ATOM 48 N SER A 6 -15.305 -15.737 -6.447 1.00 0.00 N ATOM 49 CA SER A 6 -16.137 -15.663 -5.258 1.00 0.00 C ATOM 50 C SER A 6 -15.268 -15.395 -4.028 1.00 0.00 C ATOM 51 O SER A 6 -15.499 -14.433 -3.297 1.00 0.00 O ATOM 52 CB SER A 6 -16.942 -16.950 -5.068 1.00 0.00 C ATOM 53 OG SER A 6 -17.967 -16.799 -4.090 1.00 0.00 O ATOM 0 H SER A 6 -14.815 -16.623 -6.570 1.00 0.00 H new ATOM 0 HA SER A 6 -16.842 -14.841 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.388 -17.242 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.272 -17.756 -4.769 1.00 0.00 H new ATOM 0 HG SER A 6 -18.459 -17.642 -3.999 1.00 0.00 H new ATOM 59 N GLY A 7 -14.285 -16.263 -3.836 1.00 0.00 N ATOM 60 CA GLY A 7 -13.380 -16.132 -2.707 1.00 0.00 C ATOM 61 C GLY A 7 -12.344 -15.036 -2.959 1.00 0.00 C ATOM 62 O GLY A 7 -12.082 -14.676 -4.106 1.00 0.00 O ATOM 0 H GLY A 7 -14.096 -17.060 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.948 -15.900 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.875 -17.081 -2.530 1.00 0.00 H new ATOM 66 N VAL A 8 -11.781 -14.535 -1.869 1.00 0.00 N ATOM 67 CA VAL A 8 -10.778 -13.487 -1.958 1.00 0.00 C ATOM 68 C VAL A 8 -9.667 -13.930 -2.911 1.00 0.00 C ATOM 69 O VAL A 8 -9.452 -15.125 -3.108 1.00 0.00 O ATOM 70 CB VAL A 8 -10.263 -13.136 -0.561 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.400 -12.640 0.334 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.545 -14.328 0.074 1.00 0.00 C ATOM 0 H VAL A 8 -12.000 -14.836 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.213 -12.576 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.541 -12.326 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.007 -12.397 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.848 -11.750 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.157 -13.419 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.189 -14.052 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.236 -15.167 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.698 -14.616 -0.548 1.00 0.00 H new ATOM 82 N PRO A 9 -8.971 -12.917 -3.494 1.00 0.00 N ATOM 83 CA PRO A 9 -7.887 -13.190 -4.422 1.00 0.00 C ATOM 84 C PRO A 9 -6.637 -13.667 -3.680 1.00 0.00 C ATOM 85 O PRO A 9 -6.511 -13.462 -2.473 1.00 0.00 O ATOM 86 CB PRO A 9 -7.671 -11.884 -5.170 1.00 0.00 C ATOM 87 CG PRO A 9 -8.318 -10.804 -4.318 1.00 0.00 C ATOM 88 CD PRO A 9 -9.198 -11.490 -3.285 1.00 0.00 C ATOM 0 HA PRO A 9 -8.121 -13.997 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.608 -11.686 -5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.123 -11.922 -6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.557 -10.197 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.911 -10.132 -4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.928 -11.190 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.248 -11.231 -3.424 1.00 0.00 H new ATOM 96 N GLU A 10 -5.745 -14.296 -4.431 1.00 0.00 N ATOM 97 CA GLU A 10 -4.510 -14.804 -3.860 1.00 0.00 C ATOM 98 C GLU A 10 -3.968 -13.828 -2.814 1.00 0.00 C ATOM 99 O GLU A 10 -3.608 -12.699 -3.142 1.00 0.00 O ATOM 100 CB GLU A 10 -3.471 -15.072 -4.951 1.00 0.00 C ATOM 101 CG GLU A 10 -2.353 -15.979 -4.432 1.00 0.00 C ATOM 102 CD GLU A 10 -1.125 -15.910 -5.342 1.00 0.00 C ATOM 103 OE1 GLU A 10 -1.329 -15.694 -6.556 1.00 0.00 O ATOM 104 OE2 GLU A 10 -0.009 -16.075 -4.803 1.00 0.00 O ATOM 0 H GLU A 10 -5.853 -14.465 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.723 -15.752 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.953 -15.538 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.048 -14.128 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.078 -15.681 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.711 -17.007 -4.375 1.00 0.00 H new ATOM 111 N LYS A 11 -3.926 -14.300 -1.577 1.00 0.00 N ATOM 112 CA LYS A 11 -3.434 -13.483 -0.481 1.00 0.00 C ATOM 113 C LYS A 11 -1.911 -13.606 -0.402 1.00 0.00 C ATOM 114 O LYS A 11 -1.343 -14.610 -0.831 1.00 0.00 O ATOM 115 CB LYS A 11 -4.148 -13.847 0.822 1.00 0.00 C ATOM 116 CG LYS A 11 -5.623 -13.443 0.770 1.00 0.00 C ATOM 117 CD LYS A 11 -6.201 -13.294 2.179 1.00 0.00 C ATOM 118 CE LYS A 11 -6.221 -11.826 2.611 1.00 0.00 C ATOM 119 NZ LYS A 11 -7.518 -11.488 3.238 1.00 0.00 N ATOM 0 H LYS A 11 -4.225 -15.238 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.661 -12.432 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.067 -14.920 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.660 -13.349 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.727 -12.502 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.190 -14.193 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.213 -13.698 2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.607 -13.876 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.410 -11.637 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.050 -11.184 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.515 -10.488 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.286 -11.650 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.666 -12.088 4.074 1.00 0.00 H new ATOM 133 N PHE A 12 -1.293 -12.572 0.149 1.00 0.00 N ATOM 134 CA PHE A 12 0.153 -12.552 0.289 1.00 0.00 C ATOM 135 C PHE A 12 0.562 -12.089 1.688 1.00 0.00 C ATOM 136 O PHE A 12 -0.003 -11.134 2.220 1.00 0.00 O ATOM 137 CB PHE A 12 0.689 -11.557 -0.742 1.00 0.00 C ATOM 138 CG PHE A 12 0.019 -11.660 -2.114 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.519 -12.509 -3.052 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.075 -10.904 -2.395 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.103 -12.605 -4.325 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.696 -11.000 -3.668 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.197 -11.848 -4.606 1.00 0.00 C ATOM 0 H PHE A 12 -1.767 -11.742 0.504 1.00 0.00 H new ATOM 0 HA PHE A 12 0.555 -13.553 0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.555 -10.545 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.761 -11.714 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.388 -13.110 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.472 -10.230 -1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.293 -13.279 -5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.565 -10.399 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.670 -11.920 -5.574 1.00 0.00 H new ATOM 153 N LYS A 13 1.541 -12.787 2.246 1.00 0.00 N ATOM 154 CA LYS A 13 2.032 -12.459 3.573 1.00 0.00 C ATOM 155 C LYS A 13 2.694 -11.080 3.541 1.00 0.00 C ATOM 156 O LYS A 13 2.959 -10.539 2.469 1.00 0.00 O ATOM 157 CB LYS A 13 2.948 -13.568 4.095 1.00 0.00 C ATOM 158 CG LYS A 13 2.379 -14.195 5.369 1.00 0.00 C ATOM 159 CD LYS A 13 3.497 -14.553 6.351 1.00 0.00 C ATOM 160 CE LYS A 13 2.932 -14.850 7.741 1.00 0.00 C ATOM 161 NZ LYS A 13 2.844 -13.608 8.541 1.00 0.00 N ATOM 0 H LYS A 13 2.007 -13.579 1.803 1.00 0.00 H new ATOM 0 HA LYS A 13 1.205 -12.400 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.068 -14.335 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.939 -13.161 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.684 -13.501 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.812 -15.091 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.044 -15.421 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.209 -13.730 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.944 -15.301 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.567 -15.574 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.459 -13.828 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.792 -13.193 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.219 -12.929 8.061 1.00 0.00 H new ATOM 175 N LEU A 14 2.941 -10.550 4.730 1.00 0.00 N ATOM 176 CA LEU A 14 3.567 -9.244 4.852 1.00 0.00 C ATOM 177 C LEU A 14 4.953 -9.404 5.479 1.00 0.00 C ATOM 178 O LEU A 14 5.217 -10.387 6.169 1.00 0.00 O ATOM 179 CB LEU A 14 2.654 -8.282 5.615 1.00 0.00 C ATOM 180 CG LEU A 14 1.522 -7.646 4.805 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.157 -8.138 5.290 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.623 -6.119 4.828 1.00 0.00 C ATOM 0 H LEU A 14 2.719 -11.001 5.617 1.00 0.00 H new ATOM 0 HA LEU A 14 3.712 -8.797 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.215 -8.819 6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.268 -7.484 6.032 1.00 0.00 H new ATOM 0 HG LEU A 14 1.626 -7.960 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.630 -7.671 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.100 -9.221 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.027 -7.874 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.807 -5.692 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.558 -5.766 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.576 -5.811 4.398 1.00 0.00 H new ATOM 194 N SER A 15 5.803 -8.422 5.215 1.00 0.00 N ATOM 195 CA SER A 15 7.156 -8.441 5.745 1.00 0.00 C ATOM 196 C SER A 15 7.179 -7.825 7.145 1.00 0.00 C ATOM 197 O SER A 15 6.259 -7.101 7.523 1.00 0.00 O ATOM 198 CB SER A 15 8.120 -7.695 4.820 1.00 0.00 C ATOM 199 OG SER A 15 8.587 -8.520 3.757 1.00 0.00 O ATOM 0 H SER A 15 5.581 -7.608 4.641 1.00 0.00 H new ATOM 0 HA SER A 15 7.484 -9.478 5.807 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.620 -6.819 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.970 -7.333 5.398 1.00 0.00 H new ATOM 0 HG SER A 15 9.314 -8.064 3.284 1.00 0.00 H new ATOM 205 N THR A 16 8.240 -8.135 7.876 1.00 0.00 N ATOM 206 CA THR A 16 8.394 -7.620 9.226 1.00 0.00 C ATOM 207 C THR A 16 8.270 -6.095 9.233 1.00 0.00 C ATOM 208 O THR A 16 7.741 -5.516 10.180 1.00 0.00 O ATOM 209 CB THR A 16 9.731 -8.124 9.773 1.00 0.00 C ATOM 210 OG1 THR A 16 9.534 -9.525 9.938 1.00 0.00 O ATOM 211 CG2 THR A 16 10.012 -7.618 11.190 1.00 0.00 C ATOM 0 H THR A 16 9.001 -8.736 7.559 1.00 0.00 H new ATOM 0 HA THR A 16 7.601 -7.981 9.881 1.00 0.00 H new ATOM 0 HB THR A 16 10.536 -7.810 9.109 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.354 -9.932 10.288 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.972 -8.005 11.531 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.039 -6.528 11.188 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.224 -7.960 11.861 1.00 0.00 H new ATOM 219 N ALA A 17 8.768 -5.488 8.165 1.00 0.00 N ATOM 220 CA ALA A 17 8.719 -4.042 8.037 1.00 0.00 C ATOM 221 C ALA A 17 7.324 -3.622 7.569 1.00 0.00 C ATOM 222 O ALA A 17 6.730 -2.701 8.127 1.00 0.00 O ATOM 223 CB ALA A 17 9.819 -3.577 7.080 1.00 0.00 C ATOM 0 H ALA A 17 9.207 -5.971 7.381 1.00 0.00 H new ATOM 0 HA ALA A 17 8.901 -3.565 9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.783 -2.492 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.792 -3.874 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.667 -4.033 6.102 1.00 0.00 H new ATOM 229 N LEU A 18 6.842 -4.318 6.550 1.00 0.00 N ATOM 230 CA LEU A 18 5.528 -4.029 6.001 1.00 0.00 C ATOM 231 C LEU A 18 4.476 -4.182 7.102 1.00 0.00 C ATOM 232 O LEU A 18 3.506 -3.427 7.147 1.00 0.00 O ATOM 233 CB LEU A 18 5.260 -4.895 4.769 1.00 0.00 C ATOM 234 CG LEU A 18 4.373 -4.271 3.690 1.00 0.00 C ATOM 235 CD1 LEU A 18 4.997 -2.984 3.146 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.072 -5.277 2.578 1.00 0.00 C ATOM 0 H LEU A 18 7.338 -5.081 6.090 1.00 0.00 H new ATOM 0 HA LEU A 18 5.478 -2.997 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.217 -5.156 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.798 -5.826 5.097 1.00 0.00 H new ATOM 0 HG LEU A 18 3.420 -4.000 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.347 -2.560 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.117 -2.267 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.971 -3.207 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.440 -4.808 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.006 -5.601 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.556 -6.140 2.998 1.00 0.00 H new ATOM 248 N MET A 19 4.704 -5.164 7.962 1.00 0.00 N ATOM 249 CA MET A 19 3.787 -5.425 9.058 1.00 0.00 C ATOM 250 C MET A 19 3.808 -4.282 10.075 1.00 0.00 C ATOM 251 O MET A 19 2.783 -3.959 10.673 1.00 0.00 O ATOM 252 CB MET A 19 4.180 -6.732 9.751 1.00 0.00 C ATOM 253 CG MET A 19 3.616 -7.941 9.002 1.00 0.00 C ATOM 254 SD MET A 19 4.883 -9.182 8.806 1.00 0.00 S ATOM 255 CE MET A 19 5.146 -9.630 10.513 1.00 0.00 C ATOM 0 H MET A 19 5.510 -5.788 7.922 1.00 0.00 H new ATOM 0 HA MET A 19 2.779 -5.506 8.652 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.266 -6.807 9.804 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.810 -6.730 10.776 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.770 -8.356 9.550 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.243 -7.633 8.025 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.733 -10.547 10.562 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.682 -8.828 11.021 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.184 -9.788 11.000 1.00 0.00 H new ATOM 265 N ASP A 20 4.987 -3.699 10.238 1.00 0.00 N ATOM 266 CA ASP A 20 5.155 -2.599 11.172 1.00 0.00 C ATOM 267 C ASP A 20 4.685 -1.300 10.512 1.00 0.00 C ATOM 268 O ASP A 20 4.746 -0.233 11.121 1.00 0.00 O ATOM 269 CB ASP A 20 6.624 -2.426 11.562 1.00 0.00 C ATOM 270 CG ASP A 20 6.959 -2.806 13.005 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.637 -3.955 13.379 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.529 -1.939 13.703 1.00 0.00 O ATOM 0 H ASP A 20 5.835 -3.968 9.739 1.00 0.00 H new ATOM 0 HA ASP A 20 4.569 -2.822 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.236 -3.030 10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.907 -1.386 11.401 1.00 0.00 H new ATOM 277 N VAL A 21 4.227 -1.434 9.277 1.00 0.00 N ATOM 278 CA VAL A 21 3.747 -0.285 8.528 1.00 0.00 C ATOM 279 C VAL A 21 2.220 -0.228 8.613 1.00 0.00 C ATOM 280 O VAL A 21 1.656 0.775 9.047 1.00 0.00 O ATOM 281 CB VAL A 21 4.264 -0.344 7.089 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.469 0.596 6.181 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.760 -0.028 7.031 1.00 0.00 C ATOM 0 H VAL A 21 4.178 -2.321 8.776 1.00 0.00 H new ATOM 0 HA VAL A 21 4.132 0.639 8.959 1.00 0.00 H new ATOM 0 HB VAL A 21 4.122 -1.361 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.857 0.534 5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.419 0.305 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.564 1.619 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.102 -0.077 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.936 0.973 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.309 -0.755 7.630 1.00 0.00 H new ATOM 293 N LEU A 22 1.595 -1.317 8.190 1.00 0.00 N ATOM 294 CA LEU A 22 0.145 -1.403 8.213 1.00 0.00 C ATOM 295 C LEU A 22 -0.300 -2.108 9.496 1.00 0.00 C ATOM 296 O LEU A 22 -1.039 -1.538 10.297 1.00 0.00 O ATOM 297 CB LEU A 22 -0.373 -2.068 6.936 1.00 0.00 C ATOM 298 CG LEU A 22 0.456 -1.828 5.672 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.283 -2.977 4.677 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.122 -0.472 5.046 1.00 0.00 C ATOM 0 H LEU A 22 2.066 -2.147 7.830 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.295 -0.406 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.434 -3.143 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.388 -1.717 6.753 1.00 0.00 H new ATOM 0 HG LEU A 22 1.509 -1.802 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.882 -2.782 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.610 -3.909 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.767 -3.060 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.725 -0.327 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.935 -0.444 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.338 0.322 5.761 1.00 0.00 H new ATOM 312 N GLY A 23 0.169 -3.337 9.652 1.00 0.00 N ATOM 313 CA GLY A 23 -0.171 -4.125 10.824 1.00 0.00 C ATOM 314 C GLY A 23 -0.967 -5.372 10.434 1.00 0.00 C ATOM 315 O GLY A 23 -1.816 -5.833 11.195 1.00 0.00 O ATOM 0 H GLY A 23 0.782 -3.807 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.740 -4.419 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.754 -3.519 11.517 1.00 0.00 H new ATOM 319 N ILE A 24 -0.664 -5.882 9.249 1.00 0.00 N ATOM 320 CA ILE A 24 -1.341 -7.067 8.749 1.00 0.00 C ATOM 321 C ILE A 24 -0.320 -8.192 8.564 1.00 0.00 C ATOM 322 O ILE A 24 0.882 -7.941 8.509 1.00 0.00 O ATOM 323 CB ILE A 24 -2.130 -6.737 7.481 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.473 -5.591 6.708 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.595 -6.443 7.808 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.969 -5.550 5.261 1.00 0.00 C ATOM 0 H ILE A 24 0.041 -5.496 8.621 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.077 -7.420 9.472 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.115 -7.612 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.694 -4.643 7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.390 -5.712 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.134 -6.211 6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.044 -7.316 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.653 -5.592 8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.487 -4.727 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.725 -6.490 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.049 -5.404 5.251 1.00 0.00 H new ATOM 338 N GLU A 25 -0.838 -9.408 8.473 1.00 0.00 N ATOM 339 CA GLU A 25 0.012 -10.572 8.295 1.00 0.00 C ATOM 340 C GLU A 25 -0.212 -11.187 6.912 1.00 0.00 C ATOM 341 O GLU A 25 0.743 -11.565 6.235 1.00 0.00 O ATOM 342 CB GLU A 25 -0.231 -11.603 9.399 1.00 0.00 C ATOM 343 CG GLU A 25 -1.704 -12.014 9.451 1.00 0.00 C ATOM 344 CD GLU A 25 -1.943 -13.061 10.540 1.00 0.00 C ATOM 345 OE1 GLU A 25 -1.228 -14.086 10.508 1.00 0.00 O ATOM 346 OE2 GLU A 25 -2.835 -12.814 11.380 1.00 0.00 O ATOM 0 H GLU A 25 -1.836 -9.612 8.519 1.00 0.00 H new ATOM 0 HA GLU A 25 1.052 -10.252 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.389 -12.482 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.069 -11.188 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.323 -11.138 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.008 -12.414 8.484 1.00 0.00 H new ATOM 353 N VAL A 26 -1.479 -11.268 6.534 1.00 0.00 N ATOM 354 CA VAL A 26 -1.841 -11.831 5.244 1.00 0.00 C ATOM 355 C VAL A 26 -2.986 -11.015 4.640 1.00 0.00 C ATOM 356 O VAL A 26 -4.121 -11.090 5.109 1.00 0.00 O ATOM 357 CB VAL A 26 -2.179 -13.315 5.396 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.321 -13.988 4.030 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.133 -14.030 6.254 1.00 0.00 C ATOM 0 H VAL A 26 -2.268 -10.953 7.098 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.000 -11.773 4.553 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.139 -13.389 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.561 -15.042 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.119 -13.504 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.384 -13.898 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.397 -15.084 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.154 -13.941 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.102 -13.575 7.244 1.00 0.00 H new ATOM 369 N GLU A 27 -2.649 -10.256 3.608 1.00 0.00 N ATOM 370 CA GLU A 27 -3.636 -9.428 2.935 1.00 0.00 C ATOM 371 C GLU A 27 -3.557 -9.634 1.421 1.00 0.00 C ATOM 372 O GLU A 27 -2.644 -10.294 0.927 1.00 0.00 O ATOM 373 CB GLU A 27 -3.453 -7.953 3.298 1.00 0.00 C ATOM 374 CG GLU A 27 -4.793 -7.306 3.655 1.00 0.00 C ATOM 375 CD GLU A 27 -5.503 -8.089 4.761 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.827 -8.384 5.770 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.704 -8.376 4.571 1.00 0.00 O ATOM 0 H GLU A 27 -1.707 -10.197 3.221 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.627 -9.731 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.767 -7.864 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.000 -7.422 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.630 -6.278 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.428 -7.264 2.770 1.00 0.00 H new ATOM 384 N THR A 28 -4.527 -9.056 0.726 1.00 0.00 N ATOM 385 CA THR A 28 -4.579 -9.168 -0.722 1.00 0.00 C ATOM 386 C THR A 28 -3.509 -8.282 -1.364 1.00 0.00 C ATOM 387 O THR A 28 -2.580 -7.839 -0.691 1.00 0.00 O ATOM 388 CB THR A 28 -6.001 -8.826 -1.171 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.206 -7.499 -0.695 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.061 -9.653 -0.440 1.00 0.00 C ATOM 0 H THR A 28 -5.282 -8.509 1.139 1.00 0.00 H new ATOM 0 HA THR A 28 -4.354 -10.183 -1.049 1.00 0.00 H new ATOM 0 HB THR A 28 -6.091 -8.989 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.989 -7.110 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.052 -9.371 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.894 -10.712 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.994 -9.466 0.632 1.00 0.00 H new ATOM 398 N ARG A 29 -3.676 -8.052 -2.658 1.00 0.00 N ATOM 399 CA ARG A 29 -2.737 -7.227 -3.398 1.00 0.00 C ATOM 400 C ARG A 29 -3.082 -5.746 -3.228 1.00 0.00 C ATOM 401 O ARG A 29 -2.200 -4.922 -2.992 1.00 0.00 O ATOM 402 CB ARG A 29 -2.749 -7.579 -4.887 1.00 0.00 C ATOM 403 CG ARG A 29 -1.371 -7.360 -5.514 1.00 0.00 C ATOM 404 CD ARG A 29 -1.481 -7.178 -7.029 1.00 0.00 C ATOM 405 NE ARG A 29 -1.561 -5.739 -7.362 1.00 0.00 N ATOM 406 CZ ARG A 29 -1.816 -5.264 -8.589 1.00 0.00 C ATOM 407 NH1 ARG A 29 -2.016 -6.113 -9.607 1.00 0.00 N ATOM 408 NH2 ARG A 29 -1.870 -3.942 -8.799 1.00 0.00 N ATOM 0 H ARG A 29 -4.448 -8.423 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.741 -7.419 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.050 -8.619 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.489 -6.967 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.902 -6.481 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.727 -8.211 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.618 -7.626 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.365 -7.696 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.413 -5.066 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.974 -7.120 -9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.210 -5.752 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.717 -3.296 -8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.064 -3.582 -9.733 1.00 0.00 H new ATOM 422 N PRO A 30 -4.402 -5.445 -3.360 1.00 0.00 N ATOM 423 CA PRO A 30 -4.875 -4.078 -3.224 1.00 0.00 C ATOM 424 C PRO A 30 -4.887 -3.645 -1.756 1.00 0.00 C ATOM 425 O PRO A 30 -4.259 -2.652 -1.393 1.00 0.00 O ATOM 426 CB PRO A 30 -6.257 -4.075 -3.855 1.00 0.00 C ATOM 427 CG PRO A 30 -6.697 -5.529 -3.902 1.00 0.00 C ATOM 428 CD PRO A 30 -5.475 -6.394 -3.640 1.00 0.00 C ATOM 0 HA PRO A 30 -4.224 -3.357 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.953 -3.475 -3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.229 -3.643 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.467 -5.719 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.131 -5.765 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.639 -7.066 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.238 -7.016 -4.503 1.00 0.00 H new ATOM 436 N ARG A 31 -5.607 -4.413 -0.952 1.00 0.00 N ATOM 437 CA ARG A 31 -5.709 -4.122 0.468 1.00 0.00 C ATOM 438 C ARG A 31 -4.384 -3.564 0.992 1.00 0.00 C ATOM 439 O ARG A 31 -4.372 -2.619 1.779 1.00 0.00 O ATOM 440 CB ARG A 31 -6.076 -5.376 1.263 1.00 0.00 C ATOM 441 CG ARG A 31 -7.499 -5.835 0.937 1.00 0.00 C ATOM 442 CD ARG A 31 -8.496 -5.305 1.970 1.00 0.00 C ATOM 443 NE ARG A 31 -8.726 -3.859 1.757 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.417 -3.353 0.726 1.00 0.00 C ATOM 445 NH1 ARG A 31 -9.949 -4.172 -0.191 1.00 0.00 N ATOM 446 NH2 ARG A 31 -9.576 -2.027 0.612 1.00 0.00 N ATOM 0 H ARG A 31 -6.126 -5.237 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.497 -3.380 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.371 -6.175 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.991 -5.172 2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.779 -5.485 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.538 -6.924 0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.438 -5.847 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.115 -5.476 2.977 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.335 -3.207 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.828 -5.181 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.475 -3.786 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.171 -1.403 1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.102 -1.642 -0.173 1.00 0.00 H new ATOM 460 N ILE A 32 -3.300 -4.173 0.534 1.00 0.00 N ATOM 461 CA ILE A 32 -1.973 -3.749 0.947 1.00 0.00 C ATOM 462 C ILE A 32 -1.662 -2.386 0.326 1.00 0.00 C ATOM 463 O ILE A 32 -1.456 -1.407 1.041 1.00 0.00 O ATOM 464 CB ILE A 32 -0.939 -4.827 0.614 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.355 -6.182 1.190 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.457 -4.410 1.082 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.413 -7.291 0.717 1.00 0.00 C ATOM 0 H ILE A 32 -3.314 -4.957 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.932 -3.624 2.029 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.897 -4.937 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.350 -6.135 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.376 -6.413 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.173 -5.193 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.746 -3.484 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.448 -4.256 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.731 -8.244 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.439 -7.351 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.603 -7.069 1.044 1.00 0.00 H new ATOM 479 N ILE A 33 -1.638 -2.366 -0.999 1.00 0.00 N ATOM 480 CA ILE A 33 -1.355 -1.139 -1.724 1.00 0.00 C ATOM 481 C ILE A 33 -2.164 0.007 -1.113 1.00 0.00 C ATOM 482 O ILE A 33 -1.624 1.078 -0.844 1.00 0.00 O ATOM 483 CB ILE A 33 -1.598 -1.334 -3.222 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.646 -2.382 -3.800 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.507 -0.002 -3.970 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.165 -2.918 -5.136 1.00 0.00 C ATOM 0 H ILE A 33 -1.810 -3.180 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.302 -0.873 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.612 -1.711 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.342 -1.943 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.533 -3.204 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.684 -0.169 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.258 0.686 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.515 0.427 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.469 -3.661 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.142 -3.378 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.254 -2.097 -5.848 1.00 0.00 H new ATOM 498 N ALA A 34 -3.447 -0.258 -0.914 1.00 0.00 N ATOM 499 CA ALA A 34 -4.336 0.738 -0.340 1.00 0.00 C ATOM 500 C ALA A 34 -3.888 1.053 1.089 1.00 0.00 C ATOM 501 O ALA A 34 -3.754 2.218 1.459 1.00 0.00 O ATOM 502 CB ALA A 34 -5.778 0.231 -0.401 1.00 0.00 C ATOM 0 H ALA A 34 -3.892 -1.148 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.292 1.666 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.445 0.978 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.057 0.051 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.861 -0.698 0.163 1.00 0.00 H new ATOM 508 N ALA A 35 -3.670 -0.007 1.853 1.00 0.00 N ATOM 509 CA ALA A 35 -3.240 0.141 3.233 1.00 0.00 C ATOM 510 C ALA A 35 -2.106 1.166 3.303 1.00 0.00 C ATOM 511 O ALA A 35 -2.020 1.938 4.256 1.00 0.00 O ATOM 512 CB ALA A 35 -2.828 -1.223 3.789 1.00 0.00 C ATOM 0 H ALA A 35 -3.783 -0.972 1.543 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.058 0.511 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.505 -1.112 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.677 -1.905 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.008 -1.625 3.195 1.00 0.00 H new ATOM 518 N ILE A 36 -1.265 1.140 2.279 1.00 0.00 N ATOM 519 CA ILE A 36 -0.140 2.057 2.212 1.00 0.00 C ATOM 520 C ILE A 36 -0.626 3.417 1.705 1.00 0.00 C ATOM 521 O ILE A 36 -0.096 4.455 2.098 1.00 0.00 O ATOM 522 CB ILE A 36 0.991 1.457 1.375 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.563 0.206 2.043 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.074 2.500 1.088 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.401 -0.609 1.055 1.00 0.00 C ATOM 0 H ILE A 36 -1.340 0.499 1.490 1.00 0.00 H new ATOM 0 HA ILE A 36 0.280 2.218 3.205 1.00 0.00 H new ATOM 0 HB ILE A 36 0.578 1.149 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.178 0.494 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.750 -0.409 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.866 2.047 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.639 3.335 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.490 2.861 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.796 -1.493 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.777 -0.916 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.227 0.001 0.690 1.00 0.00 H new ATOM 537 N TRP A 37 -1.629 3.367 0.841 1.00 0.00 N ATOM 538 CA TRP A 37 -2.192 4.581 0.277 1.00 0.00 C ATOM 539 C TRP A 37 -2.789 5.402 1.421 1.00 0.00 C ATOM 540 O TRP A 37 -2.413 6.556 1.625 1.00 0.00 O ATOM 541 CB TRP A 37 -3.209 4.257 -0.819 1.00 0.00 C ATOM 542 CG TRP A 37 -2.584 3.725 -2.111 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.383 3.152 -2.271 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.180 3.742 -3.425 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.163 2.799 -3.587 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.291 3.169 -4.311 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.430 4.225 -3.851 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.555 3.025 -5.678 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.679 4.074 -5.220 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.795 3.499 -6.125 1.00 0.00 C ATOM 0 H TRP A 37 -2.066 2.504 0.518 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.418 5.174 -0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.915 3.519 -0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.780 5.157 -1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.676 2.987 -1.471 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.327 2.349 -3.960 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.141 4.677 -3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.842 2.573 -6.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.625 4.430 -5.600 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.063 3.418 -7.168 1.00 0.00 H new ATOM 561 N HIS A 38 -3.709 4.776 2.139 1.00 0.00 N ATOM 562 CA HIS A 38 -4.361 5.434 3.259 1.00 0.00 C ATOM 563 C HIS A 38 -3.313 5.846 4.294 1.00 0.00 C ATOM 564 O HIS A 38 -3.131 7.033 4.560 1.00 0.00 O ATOM 565 CB HIS A 38 -5.459 4.545 3.847 1.00 0.00 C ATOM 566 CG HIS A 38 -5.901 4.951 5.233 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.538 4.081 6.101 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.790 6.140 5.891 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.795 4.730 7.228 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.332 6.006 7.095 1.00 0.00 N ATOM 0 H HIS A 38 -4.019 3.820 1.967 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.856 6.342 2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.322 4.563 3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.102 3.516 3.878 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.338 7.039 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.285 4.320 8.099 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.392 6.737 7.804 1.00 0.00 H new ATOM 578 N TYR A 39 -2.651 4.842 4.850 1.00 0.00 N ATOM 579 CA TYR A 39 -1.625 5.085 5.850 1.00 0.00 C ATOM 580 C TYR A 39 -0.798 6.322 5.498 1.00 0.00 C ATOM 581 O TYR A 39 -0.666 7.237 6.309 1.00 0.00 O ATOM 582 CB TYR A 39 -0.716 3.855 5.829 1.00 0.00 C ATOM 583 CG TYR A 39 0.457 3.931 6.808 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.219 4.027 8.164 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.754 3.903 6.336 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.323 4.099 9.086 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.857 3.975 7.258 1.00 0.00 C ATOM 588 CZ TYR A 39 2.587 4.069 8.587 1.00 0.00 C ATOM 589 OH TYR A 39 3.630 4.137 9.458 1.00 0.00 O ATOM 0 H TYR A 39 -2.805 3.859 4.627 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.075 5.255 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.312 2.972 6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.326 3.722 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.795 4.048 8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.941 3.827 5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.151 4.175 10.149 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.876 3.955 6.902 1.00 0.00 H new ATOM 0 HH TYR A 39 4.474 4.104 8.961 1.00 0.00 H new ATOM 599 N VAL A 40 -0.262 6.311 4.286 1.00 0.00 N ATOM 600 CA VAL A 40 0.550 7.421 3.817 1.00 0.00 C ATOM 601 C VAL A 40 -0.222 8.728 4.010 1.00 0.00 C ATOM 602 O VAL A 40 0.304 9.685 4.577 1.00 0.00 O ATOM 603 CB VAL A 40 0.970 7.185 2.364 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.416 8.490 1.703 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.068 6.123 2.278 1.00 0.00 C ATOM 0 H VAL A 40 -0.374 5.551 3.615 1.00 0.00 H new ATOM 0 HA VAL A 40 1.468 7.495 4.399 1.00 0.00 H new ATOM 0 HB VAL A 40 0.101 6.815 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.709 8.294 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.593 9.205 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.264 8.903 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.349 5.974 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.939 6.453 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.700 5.185 2.693 1.00 0.00 H new ATOM 615 N LYS A 41 -1.456 8.727 3.529 1.00 0.00 N ATOM 616 CA LYS A 41 -2.305 9.901 3.642 1.00 0.00 C ATOM 617 C LYS A 41 -2.551 10.206 5.121 1.00 0.00 C ATOM 618 O LYS A 41 -2.353 11.336 5.566 1.00 0.00 O ATOM 619 CB LYS A 41 -3.589 9.714 2.832 1.00 0.00 C ATOM 620 CG LYS A 41 -3.400 10.186 1.389 1.00 0.00 C ATOM 621 CD LYS A 41 -3.926 9.145 0.398 1.00 0.00 C ATOM 622 CE LYS A 41 -4.147 9.766 -0.983 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.544 9.559 -1.426 1.00 0.00 N ATOM 0 H LYS A 41 -1.889 7.931 3.060 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.809 10.772 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.878 8.663 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.402 10.272 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.922 11.131 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.343 10.373 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.217 8.320 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.863 8.727 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.924 10.832 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.461 9.320 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.677 9.986 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.744 8.540 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.193 10.005 -0.747 1.00 0.00 H new ATOM 637 N ALA A 42 -2.978 9.180 5.842 1.00 0.00 N ATOM 638 CA ALA A 42 -3.253 9.325 7.261 1.00 0.00 C ATOM 639 C ALA A 42 -2.039 9.953 7.950 1.00 0.00 C ATOM 640 O ALA A 42 -2.190 10.739 8.884 1.00 0.00 O ATOM 641 CB ALA A 42 -3.617 7.961 7.853 1.00 0.00 C ATOM 0 H ALA A 42 -3.140 8.244 5.470 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.103 9.988 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.823 8.070 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.502 7.570 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.786 7.270 7.713 1.00 0.00 H new ATOM 647 N ARG A 43 -0.865 9.584 7.461 1.00 0.00 N ATOM 648 CA ARG A 43 0.374 10.102 8.018 1.00 0.00 C ATOM 649 C ARG A 43 0.816 11.352 7.255 1.00 0.00 C ATOM 650 O ARG A 43 1.983 11.738 7.312 1.00 0.00 O ATOM 651 CB ARG A 43 1.487 9.054 7.955 1.00 0.00 C ATOM 652 CG ARG A 43 1.068 7.766 8.668 1.00 0.00 C ATOM 653 CD ARG A 43 1.458 7.807 10.147 1.00 0.00 C ATOM 654 NE ARG A 43 0.980 9.066 10.762 1.00 0.00 N ATOM 655 CZ ARG A 43 1.735 10.163 10.912 1.00 0.00 C ATOM 656 NH1 ARG A 43 3.007 10.163 10.492 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.216 11.260 11.481 1.00 0.00 N ATOM 0 H ARG A 43 -0.745 8.933 6.685 1.00 0.00 H new ATOM 0 HA ARG A 43 0.188 10.355 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.728 8.836 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.392 9.451 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.009 7.629 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.541 6.910 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.028 6.952 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.541 7.731 10.248 1.00 0.00 H new ATOM 0 HE ARG A 43 0.016 9.101 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.401 9.328 10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.582 10.998 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.247 11.259 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.790 12.095 11.596 1.00 0.00 H new ATOM 671 N LYS A 44 -0.139 11.950 6.558 1.00 0.00 N ATOM 672 CA LYS A 44 0.138 13.149 5.785 1.00 0.00 C ATOM 673 C LYS A 44 1.478 12.988 5.065 1.00 0.00 C ATOM 674 O LYS A 44 2.218 13.957 4.899 1.00 0.00 O ATOM 675 CB LYS A 44 0.063 14.390 6.676 1.00 0.00 C ATOM 676 CG LYS A 44 -1.089 15.302 6.250 1.00 0.00 C ATOM 677 CD LYS A 44 -0.569 16.522 5.486 1.00 0.00 C ATOM 678 CE LYS A 44 -1.506 16.885 4.332 1.00 0.00 C ATOM 679 NZ LYS A 44 -0.729 17.327 3.153 1.00 0.00 N ATOM 0 H LYS A 44 -1.105 11.627 6.512 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.622 13.291 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.072 14.089 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.004 14.938 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.785 14.745 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.643 15.629 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.477 17.369 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.428 16.315 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.119 16.023 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.187 17.677 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.380 17.569 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.163 18.163 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.097 16.560 2.846 1.00 0.00 H new ATOM 693 N LEU A 45 1.751 11.757 4.657 1.00 0.00 N ATOM 694 CA LEU A 45 2.990 11.457 3.959 1.00 0.00 C ATOM 695 C LEU A 45 2.875 11.919 2.505 1.00 0.00 C ATOM 696 O LEU A 45 3.874 12.277 1.883 1.00 0.00 O ATOM 697 CB LEU A 45 3.343 9.976 4.108 1.00 0.00 C ATOM 698 CG LEU A 45 4.113 9.595 5.374 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.335 8.083 5.446 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.427 10.372 5.472 1.00 0.00 C ATOM 0 H LEU A 45 1.135 10.956 4.796 1.00 0.00 H new ATOM 0 HA LEU A 45 3.821 12.005 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.419 9.398 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.933 9.675 3.243 1.00 0.00 H new ATOM 0 HG LEU A 45 3.509 9.874 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.884 7.839 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.371 7.574 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.908 7.758 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.954 10.082 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.048 10.147 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.216 11.441 5.500 1.00 0.00 H new ATOM 712 N GLN A 46 1.648 11.895 2.005 1.00 0.00 N ATOM 713 CA GLN A 46 1.390 12.307 0.636 1.00 0.00 C ATOM 714 C GLN A 46 2.257 13.515 0.272 1.00 0.00 C ATOM 715 O GLN A 46 2.471 14.401 1.098 1.00 0.00 O ATOM 716 CB GLN A 46 -0.094 12.614 0.426 1.00 0.00 C ATOM 717 CG GLN A 46 -0.345 13.175 -0.975 1.00 0.00 C ATOM 718 CD GLN A 46 -1.802 13.614 -1.137 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.538 13.779 -0.178 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.175 13.794 -2.401 1.00 0.00 N ATOM 0 H GLN A 46 0.822 11.597 2.524 1.00 0.00 H new ATOM 0 HA GLN A 46 1.654 11.483 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.680 11.706 0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.430 13.332 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.316 14.023 -1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.104 12.419 -1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.508 13.638 -3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.128 14.088 -2.615 1.00 0.00 H new ATOM 729 N ASN A 47 2.732 13.511 -0.965 1.00 0.00 N ATOM 730 CA ASN A 47 3.570 14.595 -1.448 1.00 0.00 C ATOM 731 C ASN A 47 2.708 15.596 -2.220 1.00 0.00 C ATOM 732 O ASN A 47 1.880 15.203 -3.041 1.00 0.00 O ATOM 733 CB ASN A 47 4.652 14.074 -2.395 1.00 0.00 C ATOM 734 CG ASN A 47 5.932 14.904 -2.275 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.083 15.952 -2.881 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.843 14.378 -1.460 1.00 0.00 N ATOM 0 H ASN A 47 2.552 12.774 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 47 4.042 15.066 -0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.868 13.030 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.288 14.107 -3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.732 14.856 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.653 13.497 -0.983 1.00 0.00 H new ATOM 743 N PRO A 48 2.937 16.902 -1.921 1.00 0.00 N ATOM 744 CA PRO A 48 2.191 17.962 -2.578 1.00 0.00 C ATOM 745 C PRO A 48 2.679 18.169 -4.013 1.00 0.00 C ATOM 746 O PRO A 48 1.874 18.271 -4.938 1.00 0.00 O ATOM 747 CB PRO A 48 2.392 19.187 -1.700 1.00 0.00 C ATOM 748 CG PRO A 48 3.613 18.891 -0.844 1.00 0.00 C ATOM 749 CD PRO A 48 3.909 17.404 -0.954 1.00 0.00 C ATOM 0 HA PRO A 48 1.131 17.729 -2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.547 20.080 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.515 19.371 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.468 19.477 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.428 19.168 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.930 17.228 -1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.801 16.907 0.010 1.00 0.00 H new ATOM 757 N ASN A 49 3.995 18.224 -4.154 1.00 0.00 N ATOM 758 CA ASN A 49 4.600 18.416 -5.461 1.00 0.00 C ATOM 759 C ASN A 49 4.034 17.384 -6.438 1.00 0.00 C ATOM 760 O ASN A 49 3.628 17.730 -7.546 1.00 0.00 O ATOM 761 CB ASN A 49 6.117 18.225 -5.399 1.00 0.00 C ATOM 762 CG ASN A 49 6.842 19.571 -5.461 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.920 20.217 -6.493 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.367 19.957 -4.302 1.00 0.00 N ATOM 0 H ASN A 49 4.659 18.139 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 49 4.377 19.431 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.384 17.706 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.442 17.594 -6.227 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.871 20.841 -4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.266 19.369 -3.475 1.00 0.00 H new ATOM 771 N ASP A 50 4.024 16.136 -5.991 1.00 0.00 N ATOM 772 CA ASP A 50 3.514 15.051 -6.811 1.00 0.00 C ATOM 773 C ASP A 50 2.469 14.265 -6.018 1.00 0.00 C ATOM 774 O ASP A 50 2.778 13.692 -4.974 1.00 0.00 O ATOM 775 CB ASP A 50 4.633 14.085 -7.205 1.00 0.00 C ATOM 776 CG ASP A 50 5.512 14.553 -8.367 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.653 15.787 -8.511 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.022 13.666 -9.085 1.00 0.00 O ATOM 0 H ASP A 50 4.361 15.853 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 50 3.079 15.485 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.267 13.914 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.188 13.126 -7.469 1.00 0.00 H new ATOM 783 N PRO A 51 1.220 14.263 -6.556 1.00 0.00 N ATOM 784 CA PRO A 51 0.127 13.557 -5.909 1.00 0.00 C ATOM 785 C PRO A 51 0.255 12.046 -6.112 1.00 0.00 C ATOM 786 O PRO A 51 -0.380 11.265 -5.405 1.00 0.00 O ATOM 787 CB PRO A 51 -1.136 14.134 -6.528 1.00 0.00 C ATOM 788 CG PRO A 51 -0.698 14.803 -7.821 1.00 0.00 C ATOM 789 CD PRO A 51 0.816 14.930 -7.790 1.00 0.00 C ATOM 0 HA PRO A 51 0.121 13.691 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.869 13.351 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.607 14.852 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.014 14.214 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.162 15.785 -7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.271 14.459 -8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.126 15.975 -7.795 1.00 0.00 H new ATOM 797 N SER A 52 1.080 11.678 -7.082 1.00 0.00 N ATOM 798 CA SER A 52 1.299 10.275 -7.386 1.00 0.00 C ATOM 799 C SER A 52 2.392 9.707 -6.479 1.00 0.00 C ATOM 800 O SER A 52 2.522 8.491 -6.344 1.00 0.00 O ATOM 801 CB SER A 52 1.676 10.083 -8.857 1.00 0.00 C ATOM 802 OG SER A 52 0.944 9.020 -9.461 1.00 0.00 O ATOM 0 H SER A 52 1.605 12.328 -7.667 1.00 0.00 H new ATOM 0 HA SER A 52 0.369 9.736 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.489 11.008 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.744 9.878 -8.934 1.00 0.00 H new ATOM 0 HG SER A 52 1.212 8.930 -10.399 1.00 0.00 H new ATOM 808 N PHE A 53 3.151 10.614 -5.881 1.00 0.00 N ATOM 809 CA PHE A 53 4.229 10.218 -4.991 1.00 0.00 C ATOM 810 C PHE A 53 3.891 10.554 -3.537 1.00 0.00 C ATOM 811 O PHE A 53 2.947 11.297 -3.271 1.00 0.00 O ATOM 812 CB PHE A 53 5.469 11.011 -5.410 1.00 0.00 C ATOM 813 CG PHE A 53 6.448 10.221 -6.281 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.224 9.253 -5.724 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.541 10.486 -7.611 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.133 8.519 -6.532 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.450 9.753 -8.419 1.00 0.00 C ATOM 818 CZ PHE A 53 8.226 8.785 -7.863 1.00 0.00 C ATOM 0 H PHE A 53 3.041 11.622 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 53 4.391 9.142 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.152 11.901 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.989 11.352 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.149 9.042 -4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.924 11.254 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.750 7.750 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.525 9.965 -9.475 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.916 8.227 -8.478 1.00 0.00 H new ATOM 828 N PHE A 54 4.680 9.991 -2.634 1.00 0.00 N ATOM 829 CA PHE A 54 4.476 10.222 -1.214 1.00 0.00 C ATOM 830 C PHE A 54 5.791 10.096 -0.443 1.00 0.00 C ATOM 831 O PHE A 54 6.647 9.286 -0.797 1.00 0.00 O ATOM 832 CB PHE A 54 3.505 9.146 -0.721 1.00 0.00 C ATOM 833 CG PHE A 54 3.928 7.718 -1.072 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.951 7.127 -0.400 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.280 7.040 -2.057 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.344 5.802 -0.726 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.672 5.715 -2.383 1.00 0.00 C ATOM 838 CZ PHE A 54 4.696 5.124 -1.710 1.00 0.00 C ATOM 0 H PHE A 54 5.462 9.375 -2.858 1.00 0.00 H new ATOM 0 HA PHE A 54 4.086 11.227 -1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.406 9.229 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.520 9.337 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.465 7.665 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.467 7.510 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.157 5.333 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.157 5.176 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.994 4.116 -1.958 1.00 0.00 H new ATOM 848 N ASN A 55 5.912 10.910 0.595 1.00 0.00 N ATOM 849 CA ASN A 55 7.109 10.900 1.419 1.00 0.00 C ATOM 850 C ASN A 55 7.068 9.692 2.356 1.00 0.00 C ATOM 851 O ASN A 55 5.993 9.186 2.675 1.00 0.00 O ATOM 852 CB ASN A 55 7.197 12.163 2.278 1.00 0.00 C ATOM 853 CG ASN A 55 7.910 13.289 1.526 1.00 0.00 C ATOM 854 OD1 ASN A 55 9.107 13.254 1.293 1.00 0.00 O ATOM 855 ND2 ASN A 55 7.110 14.288 1.162 1.00 0.00 N ATOM 0 H ASN A 55 5.201 11.581 0.885 1.00 0.00 H new ATOM 0 HA ASN A 55 7.974 10.854 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.195 12.486 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.732 11.942 3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.491 15.088 0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.116 14.254 1.389 1.00 0.00 H new ATOM 862 N CYS A 56 8.251 9.265 2.772 1.00 0.00 N ATOM 863 CA CYS A 56 8.364 8.126 3.667 1.00 0.00 C ATOM 864 C CYS A 56 8.285 8.637 5.107 1.00 0.00 C ATOM 865 O CYS A 56 8.572 9.804 5.372 1.00 0.00 O ATOM 866 CB CYS A 56 9.646 7.331 3.413 1.00 0.00 C ATOM 867 SG CYS A 56 11.097 8.278 4.002 1.00 0.00 S ATOM 0 H CYS A 56 9.140 9.688 2.506 1.00 0.00 H new ATOM 0 HA CYS A 56 7.543 7.433 3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.596 6.371 3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.747 7.119 2.349 1.00 0.00 H new ATOM 0 HG CYS A 56 12.180 7.593 3.783 1.00 0.00 H new ATOM 873 N ASP A 57 7.895 7.739 6.000 1.00 0.00 N ATOM 874 CA ASP A 57 7.776 8.084 7.406 1.00 0.00 C ATOM 875 C ASP A 57 9.006 7.574 8.159 1.00 0.00 C ATOM 876 O ASP A 57 9.649 8.328 8.888 1.00 0.00 O ATOM 877 CB ASP A 57 6.538 7.436 8.029 1.00 0.00 C ATOM 878 CG ASP A 57 5.405 8.404 8.374 1.00 0.00 C ATOM 879 OD1 ASP A 57 5.729 9.575 8.669 1.00 0.00 O ATOM 880 OD2 ASP A 57 4.240 7.951 8.336 1.00 0.00 O ATOM 0 H ASP A 57 7.657 6.773 5.777 1.00 0.00 H new ATOM 0 HA ASP A 57 7.692 9.168 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.155 6.683 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.838 6.914 8.937 1.00 0.00 H new ATOM 885 N ALA A 58 9.298 6.298 7.955 1.00 0.00 N ATOM 886 CA ALA A 58 10.440 5.679 8.606 1.00 0.00 C ATOM 887 C ALA A 58 10.302 4.157 8.527 1.00 0.00 C ATOM 888 O ALA A 58 11.302 3.441 8.488 1.00 0.00 O ATOM 889 CB ALA A 58 10.542 6.181 10.047 1.00 0.00 C ATOM 0 H ALA A 58 8.764 5.676 7.348 1.00 0.00 H new ATOM 0 HA ALA A 58 11.366 5.954 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.399 5.716 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.668 7.264 10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.632 5.921 10.588 1.00 0.00 H new ATOM 895 N ALA A 59 9.056 3.707 8.507 1.00 0.00 N ATOM 896 CA ALA A 59 8.775 2.284 8.434 1.00 0.00 C ATOM 897 C ALA A 59 8.590 1.879 6.970 1.00 0.00 C ATOM 898 O ALA A 59 8.782 0.717 6.615 1.00 0.00 O ATOM 899 CB ALA A 59 7.547 1.961 9.287 1.00 0.00 C ATOM 0 H ALA A 59 8.229 4.304 8.540 1.00 0.00 H new ATOM 0 HA ALA A 59 9.610 1.708 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.336 0.893 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.740 2.240 10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.688 2.520 8.915 1.00 0.00 H new ATOM 905 N LEU A 60 8.220 2.860 6.160 1.00 0.00 N ATOM 906 CA LEU A 60 8.008 2.621 4.743 1.00 0.00 C ATOM 907 C LEU A 60 9.358 2.391 4.061 1.00 0.00 C ATOM 908 O LEU A 60 9.424 1.773 2.999 1.00 0.00 O ATOM 909 CB LEU A 60 7.191 3.757 4.124 1.00 0.00 C ATOM 910 CG LEU A 60 5.673 3.660 4.291 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.005 5.011 4.027 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.094 2.553 3.408 1.00 0.00 C ATOM 0 H LEU A 60 8.062 3.822 6.458 1.00 0.00 H new ATOM 0 HA LEU A 60 7.417 1.717 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.525 4.698 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.417 3.802 3.059 1.00 0.00 H new ATOM 0 HG LEU A 60 5.460 3.392 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.927 4.914 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.387 5.750 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.225 5.333 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.014 2.505 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.317 2.767 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.538 1.597 3.685 1.00 0.00 H new ATOM 924 N GLN A 61 10.401 2.902 4.698 1.00 0.00 N ATOM 925 CA GLN A 61 11.746 2.760 4.166 1.00 0.00 C ATOM 926 C GLN A 61 12.161 1.287 4.158 1.00 0.00 C ATOM 927 O GLN A 61 12.383 0.707 3.096 1.00 0.00 O ATOM 928 CB GLN A 61 12.742 3.606 4.962 1.00 0.00 C ATOM 929 CG GLN A 61 13.083 4.898 4.215 1.00 0.00 C ATOM 930 CD GLN A 61 14.565 4.938 3.839 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.389 4.216 4.376 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.858 5.820 2.887 1.00 0.00 N ATOM 0 H GLN A 61 10.342 3.415 5.578 1.00 0.00 H new ATOM 0 HA GLN A 61 11.750 3.124 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.322 3.846 5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.652 3.033 5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.473 4.974 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.839 5.758 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.120 6.394 2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.820 5.922 2.565 1.00 0.00 H new ATOM 941 N LYS A 62 12.254 0.725 5.354 1.00 0.00 N ATOM 942 CA LYS A 62 12.639 -0.669 5.497 1.00 0.00 C ATOM 943 C LYS A 62 11.974 -1.493 4.393 1.00 0.00 C ATOM 944 O LYS A 62 12.523 -2.500 3.949 1.00 0.00 O ATOM 945 CB LYS A 62 12.327 -1.168 6.910 1.00 0.00 C ATOM 946 CG LYS A 62 13.498 -0.901 7.857 1.00 0.00 C ATOM 947 CD LYS A 62 13.582 -1.976 8.942 1.00 0.00 C ATOM 948 CE LYS A 62 14.364 -3.195 8.446 1.00 0.00 C ATOM 949 NZ LYS A 62 15.751 -3.165 8.961 1.00 0.00 N ATOM 0 H LYS A 62 12.070 1.209 6.233 1.00 0.00 H new ATOM 0 HA LYS A 62 13.716 -0.782 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.431 -0.673 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.113 -2.236 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.429 -0.877 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.380 0.079 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.065 -1.566 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.578 -2.279 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.868 -4.110 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.375 -3.209 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.268 -3.999 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.226 -2.301 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.735 -3.174 10.001 1.00 0.00 H new ATOM 963 N VAL A 63 10.801 -1.035 3.981 1.00 0.00 N ATOM 964 CA VAL A 63 10.055 -1.718 2.937 1.00 0.00 C ATOM 965 C VAL A 63 10.697 -1.420 1.581 1.00 0.00 C ATOM 966 O VAL A 63 11.222 -2.320 0.927 1.00 0.00 O ATOM 967 CB VAL A 63 8.580 -1.319 3.002 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.799 -1.913 1.827 1.00 0.00 C ATOM 969 CG2 VAL A 63 7.958 -1.730 4.338 1.00 0.00 C ATOM 0 H VAL A 63 10.349 -0.199 4.351 1.00 0.00 H new ATOM 0 HA VAL A 63 10.092 -2.797 3.084 1.00 0.00 H new ATOM 0 HB VAL A 63 8.524 -0.233 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.753 -1.614 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.219 -1.548 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.868 -3.000 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.909 -1.434 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.033 -2.811 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.489 -1.238 5.153 1.00 0.00 H new ATOM 979 N PHE A 64 10.634 -0.153 1.198 1.00 0.00 N ATOM 980 CA PHE A 64 11.202 0.275 -0.069 1.00 0.00 C ATOM 981 C PHE A 64 12.667 0.683 0.097 1.00 0.00 C ATOM 982 O PHE A 64 13.559 0.051 -0.466 1.00 0.00 O ATOM 983 CB PHE A 64 10.396 1.489 -0.534 1.00 0.00 C ATOM 984 CG PHE A 64 8.880 1.285 -0.486 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.279 0.444 -1.370 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.134 1.944 0.441 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.872 0.255 -1.326 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.727 1.755 0.485 1.00 0.00 C ATOM 989 CZ PHE A 64 6.126 0.914 -0.399 1.00 0.00 C ATOM 0 H PHE A 64 10.198 0.591 1.743 1.00 0.00 H new ATOM 0 HA PHE A 64 11.160 -0.541 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.657 2.345 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.687 1.736 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.872 -0.080 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.612 2.611 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.394 -0.412 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.134 2.279 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.056 0.769 -0.365 1.00 0.00 H new ATOM 999 N GLY A 65 12.869 1.739 0.872 1.00 0.00 N ATOM 1000 CA GLY A 65 14.211 2.240 1.119 1.00 0.00 C ATOM 1001 C GLY A 65 14.408 3.616 0.481 1.00 0.00 C ATOM 1002 O GLY A 65 15.453 4.242 0.657 1.00 0.00 O ATOM 0 H GLY A 65 12.126 2.261 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.387 2.304 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.944 1.540 0.717 1.00 0.00 H new ATOM 1006 N GLU A 66 13.389 4.048 -0.246 1.00 0.00 N ATOM 1007 CA GLU A 66 13.437 5.339 -0.911 1.00 0.00 C ATOM 1008 C GLU A 66 12.676 6.385 -0.095 1.00 0.00 C ATOM 1009 O GLU A 66 11.659 6.076 0.524 1.00 0.00 O ATOM 1010 CB GLU A 66 12.883 5.244 -2.334 1.00 0.00 C ATOM 1011 CG GLU A 66 13.693 4.253 -3.173 1.00 0.00 C ATOM 1012 CD GLU A 66 14.194 4.908 -4.462 1.00 0.00 C ATOM 1013 OE1 GLU A 66 15.285 5.515 -4.403 1.00 0.00 O ATOM 1014 OE2 GLU A 66 13.474 4.787 -5.477 1.00 0.00 O ATOM 0 H GLU A 66 12.524 3.527 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 66 14.479 5.650 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.839 4.931 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.906 6.227 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.541 3.888 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.076 3.388 -3.416 1.00 0.00 H new ATOM 1021 N GLU A 67 13.198 7.603 -0.120 1.00 0.00 N ATOM 1022 CA GLU A 67 12.580 8.697 0.610 1.00 0.00 C ATOM 1023 C GLU A 67 11.093 8.793 0.265 1.00 0.00 C ATOM 1024 O GLU A 67 10.255 8.957 1.151 1.00 0.00 O ATOM 1025 CB GLU A 67 13.295 10.019 0.326 1.00 0.00 C ATOM 1026 CG GLU A 67 13.251 10.357 -1.166 1.00 0.00 C ATOM 1027 CD GLU A 67 14.254 11.460 -1.508 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.878 12.641 -1.342 1.00 0.00 O ATOM 1029 OE2 GLU A 67 15.374 11.098 -1.929 1.00 0.00 O ATOM 0 H GLU A 67 14.042 7.856 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 67 12.673 8.494 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.827 10.820 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.331 9.955 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.473 9.465 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.246 10.677 -1.441 1.00 0.00 H new ATOM 1036 N LYS A 68 10.810 8.687 -1.025 1.00 0.00 N ATOM 1037 CA LYS A 68 9.438 8.759 -1.499 1.00 0.00 C ATOM 1038 C LYS A 68 9.219 7.697 -2.578 1.00 0.00 C ATOM 1039 O LYS A 68 10.178 7.166 -3.135 1.00 0.00 O ATOM 1040 CB LYS A 68 9.104 10.180 -1.958 1.00 0.00 C ATOM 1041 CG LYS A 68 9.907 10.556 -3.206 1.00 0.00 C ATOM 1042 CD LYS A 68 9.090 11.458 -4.132 1.00 0.00 C ATOM 1043 CE LYS A 68 9.486 11.245 -5.595 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.453 12.279 -6.026 1.00 0.00 N ATOM 0 H LYS A 68 11.507 8.552 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 68 8.743 8.538 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.038 10.256 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.320 10.885 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.825 11.066 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.201 9.652 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.028 11.249 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.244 12.502 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.924 10.255 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.599 11.282 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.711 12.120 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.022 13.220 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.306 12.225 -5.434 1.00 0.00 H new ATOM 1058 N LEU A 69 7.950 7.419 -2.840 1.00 0.00 N ATOM 1059 CA LEU A 69 7.592 6.429 -3.842 1.00 0.00 C ATOM 1060 C LEU A 69 6.256 6.815 -4.479 1.00 0.00 C ATOM 1061 O LEU A 69 5.554 7.692 -3.976 1.00 0.00 O ATOM 1062 CB LEU A 69 7.602 5.025 -3.235 1.00 0.00 C ATOM 1063 CG LEU A 69 8.301 3.943 -4.060 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.232 3.102 -3.184 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.283 3.080 -4.808 1.00 0.00 C ATOM 0 H LEU A 69 7.157 7.862 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 69 8.333 6.410 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.083 5.076 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.570 4.716 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 69 8.921 4.433 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.716 2.340 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.990 3.745 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.653 2.621 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.807 2.319 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.618 2.598 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.698 3.708 -5.480 1.00 0.00 H new ATOM 1077 N LYS A 70 5.944 6.142 -5.577 1.00 0.00 N ATOM 1078 CA LYS A 70 4.704 6.403 -6.288 1.00 0.00 C ATOM 1079 C LYS A 70 3.584 5.556 -5.681 1.00 0.00 C ATOM 1080 O LYS A 70 3.838 4.479 -5.142 1.00 0.00 O ATOM 1081 CB LYS A 70 4.893 6.187 -7.791 1.00 0.00 C ATOM 1082 CG LYS A 70 6.093 6.980 -8.313 1.00 0.00 C ATOM 1083 CD LYS A 70 6.463 6.544 -9.732 1.00 0.00 C ATOM 1084 CE LYS A 70 6.487 7.741 -10.684 1.00 0.00 C ATOM 1085 NZ LYS A 70 5.868 7.385 -11.980 1.00 0.00 N ATOM 0 H LYS A 70 6.529 5.416 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 70 4.412 7.447 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.038 5.126 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.992 6.493 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.861 8.045 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.946 6.834 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.440 6.061 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.745 5.806 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.953 8.579 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.515 8.067 -10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.893 8.209 -12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.395 6.599 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.881 7.096 -11.826 1.00 0.00 H new ATOM 1099 N PHE A 71 2.369 6.073 -5.789 1.00 0.00 N ATOM 1100 CA PHE A 71 1.210 5.377 -5.257 1.00 0.00 C ATOM 1101 C PHE A 71 0.859 4.161 -6.116 1.00 0.00 C ATOM 1102 O PHE A 71 0.170 3.251 -5.658 1.00 0.00 O ATOM 1103 CB PHE A 71 0.042 6.364 -5.289 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.048 7.264 -4.055 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.318 6.722 -2.837 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.143 8.605 -4.175 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.401 7.557 -1.691 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.060 9.440 -3.030 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.210 8.898 -1.812 1.00 0.00 C ATOM 0 H PHE A 71 2.162 6.966 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 71 1.418 5.026 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.133 6.990 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.889 5.806 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.469 5.657 -2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.358 9.035 -5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.616 7.127 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.211 10.505 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.273 9.533 -0.941 1.00 0.00 H new ATOM 1119 N THR A 72 1.348 4.185 -7.347 1.00 0.00 N ATOM 1120 CA THR A 72 1.094 3.095 -8.274 1.00 0.00 C ATOM 1121 C THR A 72 2.233 2.074 -8.222 1.00 0.00 C ATOM 1122 O THR A 72 1.989 0.869 -8.182 1.00 0.00 O ATOM 1123 CB THR A 72 0.883 3.698 -9.665 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.194 4.059 -10.090 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.126 5.027 -9.618 1.00 0.00 C ATOM 0 H THR A 72 1.919 4.942 -7.724 1.00 0.00 H new ATOM 0 HA THR A 72 0.193 2.545 -8.001 1.00 0.00 H new ATOM 0 HB THR A 72 0.336 2.991 -10.288 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.150 4.457 -10.985 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.003 5.412 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.854 4.872 -9.167 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.689 5.746 -9.023 1.00 0.00 H new ATOM 1133 N MET A 73 3.451 2.594 -8.223 1.00 0.00 N ATOM 1134 CA MET A 73 4.628 1.742 -8.176 1.00 0.00 C ATOM 1135 C MET A 73 4.546 0.759 -7.007 1.00 0.00 C ATOM 1136 O MET A 73 4.999 -0.380 -7.117 1.00 0.00 O ATOM 1137 CB MET A 73 5.880 2.609 -8.028 1.00 0.00 C ATOM 1138 CG MET A 73 6.130 3.432 -9.294 1.00 0.00 C ATOM 1139 SD MET A 73 6.861 2.404 -10.556 1.00 0.00 S ATOM 1140 CE MET A 73 8.588 2.769 -10.292 1.00 0.00 C ATOM 0 H MET A 73 3.649 3.594 -8.256 1.00 0.00 H new ATOM 0 HA MET A 73 4.678 1.171 -9.103 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.766 3.276 -7.173 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.744 1.975 -7.825 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.192 3.853 -9.655 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.790 4.270 -9.069 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.197 1.960 -10.697 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.844 3.702 -10.794 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.780 2.868 -9.224 1.00 0.00 H new ATOM 1150 N VAL A 74 3.966 1.234 -5.915 1.00 0.00 N ATOM 1151 CA VAL A 74 3.819 0.410 -4.727 1.00 0.00 C ATOM 1152 C VAL A 74 3.438 -1.012 -5.142 1.00 0.00 C ATOM 1153 O VAL A 74 4.120 -1.971 -4.782 1.00 0.00 O ATOM 1154 CB VAL A 74 2.807 1.046 -3.772 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.399 0.063 -2.672 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.357 2.342 -3.173 1.00 0.00 C ATOM 0 H VAL A 74 3.592 2.179 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 74 4.763 0.348 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 74 1.915 1.295 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.679 0.540 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.947 -0.820 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.280 -0.231 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.618 2.773 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.272 2.128 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.574 3.049 -3.973 1.00 0.00 H new ATOM 1166 N SER A 75 2.351 -1.105 -5.893 1.00 0.00 N ATOM 1167 CA SER A 75 1.871 -2.394 -6.360 1.00 0.00 C ATOM 1168 C SER A 75 3.055 -3.296 -6.713 1.00 0.00 C ATOM 1169 O SER A 75 3.046 -4.488 -6.408 1.00 0.00 O ATOM 1170 CB SER A 75 0.947 -2.233 -7.569 1.00 0.00 C ATOM 1171 OG SER A 75 0.463 -3.487 -8.041 1.00 0.00 O ATOM 0 H SER A 75 1.788 -0.308 -6.190 1.00 0.00 H new ATOM 0 HA SER A 75 1.297 -2.856 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.104 -1.597 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.484 -1.726 -8.371 1.00 0.00 H new ATOM 0 HG SER A 75 0.514 -3.510 -9.019 1.00 0.00 H new ATOM 1177 N GLN A 76 4.047 -2.694 -7.353 1.00 0.00 N ATOM 1178 CA GLN A 76 5.236 -3.427 -7.751 1.00 0.00 C ATOM 1179 C GLN A 76 6.130 -3.688 -6.537 1.00 0.00 C ATOM 1180 O GLN A 76 6.404 -4.839 -6.199 1.00 0.00 O ATOM 1181 CB GLN A 76 6.001 -2.680 -8.845 1.00 0.00 C ATOM 1182 CG GLN A 76 7.493 -3.014 -8.797 1.00 0.00 C ATOM 1183 CD GLN A 76 8.124 -2.910 -10.187 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.275 -3.886 -10.903 1.00 0.00 O ATOM 1185 NE2 GLN A 76 8.482 -1.675 -10.527 1.00 0.00 N ATOM 0 H GLN A 76 4.051 -1.706 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 76 4.926 -4.387 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.597 -2.945 -9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.861 -1.606 -8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.000 -2.334 -8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.631 -4.022 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.327 -0.902 -9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.912 -1.500 -11.435 1.00 0.00 H new ATOM 1194 N LYS A 77 6.561 -2.601 -5.915 1.00 0.00 N ATOM 1195 CA LYS A 77 7.419 -2.698 -4.746 1.00 0.00 C ATOM 1196 C LYS A 77 6.849 -3.745 -3.787 1.00 0.00 C ATOM 1197 O LYS A 77 7.502 -4.747 -3.498 1.00 0.00 O ATOM 1198 CB LYS A 77 7.613 -1.321 -4.108 1.00 0.00 C ATOM 1199 CG LYS A 77 8.798 -0.586 -4.740 1.00 0.00 C ATOM 1200 CD LYS A 77 8.432 -0.044 -6.123 1.00 0.00 C ATOM 1201 CE LYS A 77 9.234 1.219 -6.446 1.00 0.00 C ATOM 1202 NZ LYS A 77 10.041 1.021 -7.671 1.00 0.00 N ATOM 0 H LYS A 77 6.332 -1.648 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 77 8.416 -3.035 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.706 -0.729 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.779 -1.433 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.108 0.235 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.648 -1.263 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.625 -0.805 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.366 0.178 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.557 2.062 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.887 1.466 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.579 1.887 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.700 0.230 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.411 0.807 -8.471 1.00 0.00 H new ATOM 1216 N ILE A 78 5.639 -3.477 -3.319 1.00 0.00 N ATOM 1217 CA ILE A 78 4.975 -4.384 -2.399 1.00 0.00 C ATOM 1218 C ILE A 78 5.090 -5.815 -2.926 1.00 0.00 C ATOM 1219 O ILE A 78 5.294 -6.751 -2.154 1.00 0.00 O ATOM 1220 CB ILE A 78 3.533 -3.934 -2.150 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.705 -4.013 -3.435 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.494 -2.537 -1.528 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.895 -5.310 -3.485 1.00 0.00 C ATOM 0 H ILE A 78 5.101 -2.644 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 78 5.464 -4.363 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 78 3.080 -4.618 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.032 -3.157 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.365 -3.958 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.458 -2.242 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.026 -2.547 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.970 -1.825 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.315 -5.342 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.572 -6.163 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.219 -5.350 -2.631 1.00 0.00 H new ATOM 1235 N SER A 79 4.955 -5.940 -4.239 1.00 0.00 N ATOM 1236 CA SER A 79 5.041 -7.242 -4.879 1.00 0.00 C ATOM 1237 C SER A 79 6.259 -8.004 -4.352 1.00 0.00 C ATOM 1238 O SER A 79 6.154 -9.176 -3.992 1.00 0.00 O ATOM 1239 CB SER A 79 5.120 -7.103 -6.400 1.00 0.00 C ATOM 1240 OG SER A 79 6.463 -7.170 -6.874 1.00 0.00 O ATOM 0 H SER A 79 4.787 -5.161 -4.876 1.00 0.00 H new ATOM 0 HA SER A 79 4.137 -7.802 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.531 -7.892 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.676 -6.154 -6.701 1.00 0.00 H new ATOM 0 HG SER A 79 6.955 -6.377 -6.575 1.00 0.00 H new ATOM 1246 N HIS A 80 7.386 -7.309 -4.323 1.00 0.00 N ATOM 1247 CA HIS A 80 8.622 -7.905 -3.846 1.00 0.00 C ATOM 1248 C HIS A 80 8.429 -8.409 -2.414 1.00 0.00 C ATOM 1249 O HIS A 80 9.079 -9.367 -1.996 1.00 0.00 O ATOM 1250 CB HIS A 80 9.786 -6.922 -3.976 1.00 0.00 C ATOM 1251 CG HIS A 80 10.533 -7.024 -5.284 1.00 0.00 C ATOM 1252 ND1 HIS A 80 10.125 -6.371 -6.434 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.666 -7.709 -5.612 1.00 0.00 C ATOM 1254 CE1 HIS A 80 10.981 -6.658 -7.404 1.00 0.00 C ATOM 1255 NE2 HIS A 80 11.935 -7.488 -6.893 1.00 0.00 N ATOM 0 H HIS A 80 7.469 -6.338 -4.622 1.00 0.00 H new ATOM 0 HA HIS A 80 8.878 -8.764 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.405 -5.907 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.484 -7.091 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.246 -8.327 -4.943 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.932 -6.298 -8.421 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.725 -7.875 -7.410 1.00 0.00 H new ATOM 1263 N HIS A 81 7.533 -7.743 -1.702 1.00 0.00 N ATOM 1264 CA HIS A 81 7.246 -8.111 -0.326 1.00 0.00 C ATOM 1265 C HIS A 81 6.161 -9.189 -0.298 1.00 0.00 C ATOM 1266 O HIS A 81 6.207 -10.101 0.526 1.00 0.00 O ATOM 1267 CB HIS A 81 6.878 -6.877 0.501 1.00 0.00 C ATOM 1268 CG HIS A 81 7.970 -5.837 0.572 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.195 -6.075 1.169 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.008 -4.553 0.113 1.00 0.00 C ATOM 1271 CE1 HIS A 81 9.929 -4.976 1.070 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.192 -4.034 0.416 1.00 0.00 N ATOM 0 H HIS A 81 6.996 -6.950 -2.052 1.00 0.00 H new ATOM 0 HA HIS A 81 8.139 -8.532 0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.984 -6.421 0.076 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.625 -7.193 1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.210 -4.045 -0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.935 -4.849 1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.499 -3.087 0.196 1.00 0.00 H new ATOM 1280 N LEU A 82 5.210 -9.049 -1.210 1.00 0.00 N ATOM 1281 CA LEU A 82 4.115 -10.000 -1.300 1.00 0.00 C ATOM 1282 C LEU A 82 4.682 -11.415 -1.424 1.00 0.00 C ATOM 1283 O LEU A 82 5.404 -11.718 -2.373 1.00 0.00 O ATOM 1284 CB LEU A 82 3.166 -9.617 -2.438 1.00 0.00 C ATOM 1285 CG LEU A 82 2.570 -8.209 -2.369 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.347 -8.086 -3.280 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.249 -7.819 -0.924 1.00 0.00 C ATOM 0 H LEU A 82 5.175 -8.292 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 82 3.514 -9.976 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.703 -9.717 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.347 -10.336 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 82 3.317 -7.504 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.943 -7.076 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.638 -8.292 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.587 -8.802 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.827 -6.814 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.529 -8.524 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.162 -7.841 -0.330 1.00 0.00 H new ATOM 1299 N SER A 83 4.336 -12.244 -0.450 1.00 0.00 N ATOM 1300 CA SER A 83 4.802 -13.620 -0.438 1.00 0.00 C ATOM 1301 C SER A 83 3.636 -14.565 -0.137 1.00 0.00 C ATOM 1302 O SER A 83 2.614 -14.143 0.403 1.00 0.00 O ATOM 1303 CB SER A 83 5.920 -13.814 0.588 1.00 0.00 C ATOM 1304 OG SER A 83 7.136 -14.239 -0.021 1.00 0.00 O ATOM 0 H SER A 83 3.738 -11.989 0.336 1.00 0.00 H new ATOM 0 HA SER A 83 5.205 -13.853 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.089 -12.878 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.609 -14.551 1.328 1.00 0.00 H new ATOM 0 HG SER A 83 7.825 -14.350 0.667 1.00 0.00 H new ATOM 1310 N PRO A 84 3.834 -15.858 -0.508 1.00 0.00 N ATOM 1311 CA PRO A 84 2.812 -16.866 -0.284 1.00 0.00 C ATOM 1312 C PRO A 84 2.748 -17.263 1.192 1.00 0.00 C ATOM 1313 O PRO A 84 3.749 -17.686 1.768 1.00 0.00 O ATOM 1314 CB PRO A 84 3.192 -18.022 -1.195 1.00 0.00 C ATOM 1315 CG PRO A 84 4.656 -17.812 -1.545 1.00 0.00 C ATOM 1316 CD PRO A 84 5.031 -16.393 -1.150 1.00 0.00 C ATOM 0 HA PRO A 84 1.809 -16.507 -0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.043 -18.979 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.573 -18.032 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.282 -18.533 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.820 -17.967 -2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.883 -16.383 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.312 -15.801 -2.021 1.00 0.00 H new ATOM 1324 N PRO A 85 1.530 -17.110 1.777 1.00 0.00 N ATOM 1325 CA PRO A 85 1.323 -17.448 3.175 1.00 0.00 C ATOM 1326 C PRO A 85 1.264 -18.965 3.369 1.00 0.00 C ATOM 1327 O PRO A 85 1.264 -19.719 2.397 1.00 0.00 O ATOM 1328 CB PRO A 85 0.030 -16.749 3.561 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.679 -16.432 2.255 1.00 0.00 C ATOM 1330 CD PRO A 85 0.322 -16.612 1.125 1.00 0.00 C ATOM 0 HA PRO A 85 2.143 -17.120 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.585 -17.388 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.232 -15.839 4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.535 -17.092 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.062 -15.412 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.045 -17.317 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.510 -15.671 0.608 1.00 0.00 H new ATOM 1338 N PRO A 86 1.213 -19.377 4.664 1.00 0.00 N ATOM 1339 CA PRO A 86 1.154 -20.790 4.998 1.00 0.00 C ATOM 1340 C PRO A 86 -0.240 -21.359 4.726 1.00 0.00 C ATOM 1341 O PRO A 86 -1.207 -20.988 5.389 1.00 0.00 O ATOM 1342 CB PRO A 86 1.550 -20.864 6.463 1.00 0.00 C ATOM 1343 CG PRO A 86 1.366 -19.461 7.017 1.00 0.00 C ATOM 1344 CD PRO A 86 1.211 -18.512 5.840 1.00 0.00 C ATOM 0 HA PRO A 86 1.823 -21.396 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.928 -21.580 7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.583 -21.194 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.488 -19.417 7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.223 -19.176 7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.285 -17.942 5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.027 -17.791 5.803 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.301 -22.276 3.723 1.00 0.00 N ATOM 1353 CA PRO A 87 -1.560 -22.900 3.355 1.00 0.00 C ATOM 1354 C PRO A 87 -1.973 -23.951 4.387 1.00 0.00 C ATOM 1355 O PRO A 87 -1.128 -24.499 5.094 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.319 -23.487 1.974 1.00 0.00 C ATOM 1357 CG PRO A 87 0.190 -23.576 1.816 1.00 0.00 C ATOM 1358 CD PRO A 87 0.824 -22.740 2.916 1.00 0.00 C ATOM 0 HA PRO A 87 -2.389 -22.193 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.780 -24.470 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.756 -22.856 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.521 -24.612 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.493 -23.210 0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.521 -23.331 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.387 -21.903 2.503 1.00 0.00 H new ATOM 1366 N SER A 88 -3.273 -24.202 4.442 1.00 0.00 N ATOM 1367 CA SER A 88 -3.809 -25.177 5.376 1.00 0.00 C ATOM 1368 C SER A 88 -4.292 -26.416 4.619 1.00 0.00 C ATOM 1369 O SER A 88 -3.836 -27.527 4.884 1.00 0.00 O ATOM 1370 CB SER A 88 -4.950 -24.581 6.202 1.00 0.00 C ATOM 1371 OG SER A 88 -4.563 -23.374 6.854 1.00 0.00 O ATOM 0 H SER A 88 -3.971 -23.746 3.854 1.00 0.00 H new ATOM 0 HA SER A 88 -3.013 -25.466 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.803 -24.385 5.553 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.276 -25.307 6.947 1.00 0.00 H new ATOM 0 HG SER A 88 -5.319 -23.024 7.370 1.00 0.00 H new ATOM 1377 N GLY A 89 -5.209 -26.183 3.692 1.00 0.00 N ATOM 1378 CA GLY A 89 -5.759 -27.266 2.895 1.00 0.00 C ATOM 1379 C GLY A 89 -6.765 -28.087 3.704 1.00 0.00 C ATOM 1380 O GLY A 89 -6.890 -27.903 4.914 1.00 0.00 O ATOM 0 H GLY A 89 -5.585 -25.260 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.246 -26.859 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.953 -27.912 2.548 1.00 0.00 H new ATOM 1384 N PRO A 90 -7.474 -28.998 2.986 1.00 0.00 N ATOM 1385 CA PRO A 90 -8.465 -29.848 3.625 1.00 0.00 C ATOM 1386 C PRO A 90 -7.794 -30.958 4.436 1.00 0.00 C ATOM 1387 O PRO A 90 -8.071 -31.118 5.624 1.00 0.00 O ATOM 1388 CB PRO A 90 -9.321 -30.378 2.486 1.00 0.00 C ATOM 1389 CG PRO A 90 -8.501 -30.182 1.222 1.00 0.00 C ATOM 1390 CD PRO A 90 -7.352 -29.243 1.552 1.00 0.00 C ATOM 0 HA PRO A 90 -9.077 -29.310 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.562 -31.430 2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.267 -29.840 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.121 -31.138 0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.119 -29.764 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.390 -29.693 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.423 -28.315 0.984 1.00 0.00 H new ATOM 1398 N SER A 91 -6.924 -31.696 3.762 1.00 0.00 N ATOM 1399 CA SER A 91 -6.212 -32.787 4.406 1.00 0.00 C ATOM 1400 C SER A 91 -5.072 -32.233 5.264 1.00 0.00 C ATOM 1401 O SER A 91 -3.922 -32.201 4.829 1.00 0.00 O ATOM 1402 CB SER A 91 -5.666 -33.774 3.372 1.00 0.00 C ATOM 1403 OG SER A 91 -4.817 -33.136 2.421 1.00 0.00 O ATOM 0 H SER A 91 -6.696 -31.560 2.777 1.00 0.00 H new ATOM 0 HA SER A 91 -6.913 -33.323 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.112 -34.563 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.497 -34.252 2.853 1.00 0.00 H new ATOM 0 HG SER A 91 -4.166 -32.573 2.890 1.00 0.00 H new ATOM 1409 N SER A 92 -5.432 -31.811 6.467 1.00 0.00 N ATOM 1410 CA SER A 92 -4.454 -31.261 7.391 1.00 0.00 C ATOM 1411 C SER A 92 -4.626 -31.893 8.773 1.00 0.00 C ATOM 1412 O SER A 92 -5.748 -32.149 9.208 1.00 0.00 O ATOM 1413 CB SER A 92 -4.581 -29.739 7.484 1.00 0.00 C ATOM 1414 OG SER A 92 -5.594 -29.342 8.404 1.00 0.00 O ATOM 0 H SER A 92 -6.387 -31.839 6.824 1.00 0.00 H new ATOM 0 HA SER A 92 -3.458 -31.494 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.626 -29.314 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.808 -29.333 6.498 1.00 0.00 H new ATOM 0 HG SER A 92 -5.642 -28.364 8.435 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.497 -32.127 9.426 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.508 -32.724 10.751 1.00 0.00 C ATOM 1422 C GLY A 93 -2.996 -31.738 11.802 1.00 0.00 C ATOM 1423 O GLY A 93 -3.087 -31.999 13.000 1.00 0.00 O ATOM 0 H GLY A 93 -2.568 -31.914 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.521 -33.037 11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.887 -33.620 10.755 1.00 0.00 H new TER 1427 GLY A 93