USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 518 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 29 SER OG : rot 103:sc= -1.41 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -148:sc= -0.0215 (180deg=-0.246) USER MOD Set 2.1: A 18 GLN : amide:sc= -4.03! C(o=-7.3!,f=-19!) USER MOD Set 2.2: A 37 GLN : amide:sc= -3.23! C(o=-7.3!,f=-8.7!) USER MOD Set 2.3: A 41 GLN : amide:sc= -0.0247 K(o=-7.3,f=-9.5!) USER MOD Set 3.1: A 31 MET CE :methyl 141:sc= -3.65! (180deg=-1.65) USER MOD Set 3.2: A 39 CYS SG : rot -149:sc= -3.36! USER MOD Set 4.1: A 26 SER OG : rot -76:sc= 0.287 USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 5 THR OG1 : rot 60:sc= 0.253 USER MOD Single : A 7 SER OG : rot 58:sc= 0.61 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.864 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 144:sc= -3.04! (180deg=-4.16!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 28 GLN : amide:sc= -3.06! C(o=-3.1!,f=-6.9!) USER MOD Single : A 32 ASN : amide:sc= -2.35! K(o=-2.3!,f=-1.5) USER MOD Single : A 36 SER OG : rot 88:sc= -1.67! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.35! C(o=-4.4!,f=-8.8!) USER MOD Single : A 44 ASN : amide:sc= -1.56! C(o=-1.6!,f=-2.1!) USER MOD Single : A 47 TYR OH : rot 95:sc= -3.49! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -141:sc= -1.49! USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -70:sc= 0.25 USER MOD Single : A 56 HIS : no HD1:sc= -3.97! C(o=-4!,f=-4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -148:sc= -0.441 (180deg=-1.52!) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.0272 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 11.783 -9.797 18.462 1.00 0.00 N ATOM 2 CA PRO A 2 12.732 -8.857 17.802 1.00 0.00 C ATOM 3 C PRO A 2 13.420 -7.934 18.808 1.00 0.00 C ATOM 4 O PRO A 2 12.770 -7.353 19.677 1.00 0.00 O ATOM 5 CB PRO A 2 11.934 -8.036 16.794 1.00 0.00 C ATOM 6 CG PRO A 2 10.549 -8.591 16.870 1.00 0.00 C ATOM 7 CD PRO A 2 10.432 -9.273 18.212 1.00 0.00 C ATOM 0 HA PRO A 2 13.522 -9.426 17.312 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.951 -6.975 17.045 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.345 -8.133 15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.808 -7.798 16.772 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.369 -9.297 16.059 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.124 -8.574 18.990 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.691 -10.072 18.191 1.00 0.00 H new ATOM 17 N ALA A 3 14.736 -7.806 18.682 1.00 0.00 N ATOM 18 CA ALA A 3 15.511 -6.955 19.577 1.00 0.00 C ATOM 19 C ALA A 3 17.000 -7.023 19.249 1.00 0.00 C ATOM 20 O ALA A 3 17.603 -6.026 18.853 1.00 0.00 O ATOM 21 CB ALA A 3 15.268 -7.355 21.025 1.00 0.00 C ATOM 0 H ALA A 3 15.289 -8.281 17.968 1.00 0.00 H new ATOM 0 HA ALA A 3 15.182 -5.925 19.435 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.852 -6.712 21.683 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.209 -7.247 21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.568 -8.393 21.171 1.00 0.00 H new ATOM 27 N PRO A 4 17.615 -8.209 19.410 1.00 0.00 N ATOM 28 CA PRO A 4 19.041 -8.402 19.128 1.00 0.00 C ATOM 29 C PRO A 4 19.350 -8.335 17.637 1.00 0.00 C ATOM 30 O PRO A 4 18.449 -8.185 16.811 1.00 0.00 O ATOM 31 CB PRO A 4 19.324 -9.804 19.671 1.00 0.00 C ATOM 32 CG PRO A 4 18.010 -10.503 19.617 1.00 0.00 C ATOM 33 CD PRO A 4 16.969 -9.449 19.877 1.00 0.00 C ATOM 0 HA PRO A 4 19.655 -7.624 19.581 1.00 0.00 H new ATOM 0 HB2 PRO A 4 20.071 -10.319 19.067 1.00 0.00 H new ATOM 0 HB3 PRO A 4 19.709 -9.764 20.690 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.857 -10.971 18.645 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.958 -11.295 20.364 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.047 -9.652 19.332 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.709 -9.393 20.934 1.00 0.00 H new ATOM 41 N THR A 5 20.631 -8.447 17.297 1.00 0.00 N ATOM 42 CA THR A 5 21.059 -8.400 15.904 1.00 0.00 C ATOM 43 C THR A 5 22.135 -9.448 15.629 1.00 0.00 C ATOM 44 O THR A 5 23.312 -9.117 15.479 1.00 0.00 O ATOM 45 CB THR A 5 21.589 -7.007 15.559 1.00 0.00 C ATOM 46 OG1 THR A 5 22.582 -6.604 16.486 1.00 0.00 O ATOM 47 CG2 THR A 5 20.512 -5.943 15.549 1.00 0.00 C ATOM 0 H THR A 5 21.390 -8.571 17.967 1.00 0.00 H new ATOM 0 HA THR A 5 20.195 -8.619 15.277 1.00 0.00 H new ATOM 0 HB THR A 5 22.000 -7.095 14.553 1.00 0.00 H new ATOM 0 HG1 THR A 5 23.326 -7.241 16.466 1.00 0.00 H new ATOM 0 HG21 THR A 5 20.955 -4.979 15.297 1.00 0.00 H new ATOM 0 HG22 THR A 5 19.755 -6.199 14.808 1.00 0.00 H new ATOM 0 HG23 THR A 5 20.050 -5.884 16.534 1.00 0.00 H new ATOM 55 N PRO A 6 21.743 -10.732 15.560 1.00 0.00 N ATOM 56 CA PRO A 6 22.681 -11.830 15.300 1.00 0.00 C ATOM 57 C PRO A 6 23.538 -11.579 14.066 1.00 0.00 C ATOM 58 O PRO A 6 24.764 -11.498 14.154 1.00 0.00 O ATOM 59 CB PRO A 6 21.764 -13.035 15.080 1.00 0.00 C ATOM 60 CG PRO A 6 20.518 -12.705 15.825 1.00 0.00 C ATOM 61 CD PRO A 6 20.359 -11.213 15.726 1.00 0.00 C ATOM 0 HA PRO A 6 23.391 -11.962 16.116 1.00 0.00 H new ATOM 0 HB2 PRO A 6 21.562 -13.190 14.020 1.00 0.00 H new ATOM 0 HB3 PRO A 6 22.218 -13.952 15.455 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.658 -13.218 15.394 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.590 -13.022 16.866 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.732 -10.931 14.881 1.00 0.00 H new ATOM 0 HD3 PRO A 6 19.894 -10.798 16.620 1.00 0.00 H new ATOM 69 N SER A 7 22.887 -11.457 12.913 1.00 0.00 N ATOM 70 CA SER A 7 23.591 -11.216 11.659 1.00 0.00 C ATOM 71 C SER A 7 22.609 -11.109 10.496 1.00 0.00 C ATOM 72 O SER A 7 22.543 -11.994 9.643 1.00 0.00 O ATOM 73 CB SER A 7 24.597 -12.335 11.391 1.00 0.00 C ATOM 74 OG SER A 7 25.919 -11.915 11.680 1.00 0.00 O ATOM 0 H SER A 7 21.873 -11.521 12.822 1.00 0.00 H new ATOM 0 HA SER A 7 24.126 -10.271 11.748 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.348 -13.205 11.999 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.531 -12.645 10.348 1.00 0.00 H new ATOM 0 HG SER A 7 25.974 -11.630 12.616 1.00 0.00 H new ATOM 80 N SER A 8 21.849 -10.019 10.469 1.00 0.00 N ATOM 81 CA SER A 8 20.870 -9.797 9.410 1.00 0.00 C ATOM 82 C SER A 8 21.382 -8.773 8.402 1.00 0.00 C ATOM 83 O SER A 8 21.752 -7.657 8.769 1.00 0.00 O ATOM 84 CB SER A 8 19.543 -9.323 10.005 1.00 0.00 C ATOM 85 OG SER A 8 19.003 -10.294 10.885 1.00 0.00 O ATOM 0 H SER A 8 21.892 -9.276 11.167 1.00 0.00 H new ATOM 0 HA SER A 8 20.711 -10.743 8.892 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.695 -8.386 10.541 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.833 -9.120 9.203 1.00 0.00 H new ATOM 0 HG SER A 8 18.156 -9.967 11.253 1.00 0.00 H new ATOM 91 N SER A 9 21.403 -9.161 7.132 1.00 0.00 N ATOM 92 CA SER A 9 21.869 -8.277 6.070 1.00 0.00 C ATOM 93 C SER A 9 20.781 -8.064 5.020 1.00 0.00 C ATOM 94 O SER A 9 20.667 -8.835 4.067 1.00 0.00 O ATOM 95 CB SER A 9 23.124 -8.854 5.412 1.00 0.00 C ATOM 96 OG SER A 9 24.121 -9.140 6.376 1.00 0.00 O ATOM 0 H SER A 9 21.103 -10.082 6.813 1.00 0.00 H new ATOM 0 HA SER A 9 22.111 -7.312 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 9 22.868 -9.764 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.513 -8.145 4.681 1.00 0.00 H new ATOM 0 HG SER A 9 24.911 -9.509 5.929 1.00 0.00 H new ATOM 102 N PRO A 10 19.965 -7.007 5.182 1.00 0.00 N ATOM 103 CA PRO A 10 18.882 -6.696 4.242 1.00 0.00 C ATOM 104 C PRO A 10 19.408 -6.206 2.897 1.00 0.00 C ATOM 105 O PRO A 10 20.138 -5.218 2.826 1.00 0.00 O ATOM 106 CB PRO A 10 18.106 -5.585 4.950 1.00 0.00 C ATOM 107 CG PRO A 10 19.101 -4.940 5.850 1.00 0.00 C ATOM 108 CD PRO A 10 20.033 -6.037 6.290 1.00 0.00 C ATOM 0 HA PRO A 10 18.278 -7.573 4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.698 -4.871 4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.265 -5.988 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 10 19.644 -4.151 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.611 -4.477 6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 10 21.047 -5.667 6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.714 -6.481 7.233 1.00 0.00 H new ATOM 116 N VAL A 11 19.030 -6.904 1.831 1.00 0.00 N ATOM 117 CA VAL A 11 19.462 -6.540 0.485 1.00 0.00 C ATOM 118 C VAL A 11 18.835 -5.221 0.035 1.00 0.00 C ATOM 119 O VAL A 11 19.525 -4.346 -0.487 1.00 0.00 O ATOM 120 CB VAL A 11 19.121 -7.637 -0.544 1.00 0.00 C ATOM 121 CG1 VAL A 11 19.990 -7.493 -1.784 1.00 0.00 C ATOM 122 CG2 VAL A 11 19.283 -9.021 0.070 1.00 0.00 C ATOM 0 H VAL A 11 18.426 -7.725 1.872 1.00 0.00 H new ATOM 0 HA VAL A 11 20.545 -6.426 0.531 1.00 0.00 H new ATOM 0 HB VAL A 11 18.079 -7.518 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.736 -8.275 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 11 19.818 -6.517 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.040 -7.584 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 19.037 -9.780 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 11 20.314 -9.155 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.614 -9.120 0.925 1.00 0.00 H new ATOM 132 N PRO A 12 17.513 -5.056 0.231 1.00 0.00 N ATOM 133 CA PRO A 12 16.809 -3.832 -0.161 1.00 0.00 C ATOM 134 C PRO A 12 17.537 -2.572 0.295 1.00 0.00 C ATOM 135 O PRO A 12 18.566 -2.647 0.967 1.00 0.00 O ATOM 136 CB PRO A 12 15.462 -3.959 0.550 1.00 0.00 C ATOM 137 CG PRO A 12 15.242 -5.427 0.675 1.00 0.00 C ATOM 138 CD PRO A 12 16.605 -6.042 0.848 1.00 0.00 C ATOM 0 HA PRO A 12 16.729 -3.735 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.482 -3.476 1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.665 -3.486 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.602 -5.654 1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.746 -5.823 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 12 16.842 -6.202 1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 12 16.672 -7.012 0.355 1.00 0.00 H new ATOM 146 N THR A 13 16.997 -1.415 -0.076 1.00 0.00 N ATOM 147 CA THR A 13 17.595 -0.139 0.296 1.00 0.00 C ATOM 148 C THR A 13 16.534 0.835 0.796 1.00 0.00 C ATOM 149 O THR A 13 16.572 2.024 0.485 1.00 0.00 O ATOM 150 CB THR A 13 18.337 0.467 -0.898 1.00 0.00 C ATOM 151 OG1 THR A 13 18.879 -0.551 -1.720 1.00 0.00 O ATOM 152 CG2 THR A 13 19.471 1.384 -0.494 1.00 0.00 C ATOM 0 H THR A 13 16.147 -1.336 -0.634 1.00 0.00 H new ATOM 0 HA THR A 13 18.304 -0.321 1.103 1.00 0.00 H new ATOM 0 HB THR A 13 17.591 1.053 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.348 -0.144 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.955 1.780 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.078 2.208 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.198 0.826 0.095 1.00 0.00 H new ATOM 160 N LEU A 14 15.587 0.320 1.574 1.00 0.00 N ATOM 161 CA LEU A 14 14.515 1.144 2.119 1.00 0.00 C ATOM 162 C LEU A 14 15.048 2.090 3.191 1.00 0.00 C ATOM 163 O LEU A 14 16.217 2.018 3.571 1.00 0.00 O ATOM 164 CB LEU A 14 13.410 0.260 2.697 1.00 0.00 C ATOM 165 CG LEU A 14 12.060 0.951 2.908 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.700 1.825 1.716 1.00 0.00 C ATOM 167 CD2 LEU A 14 10.976 -0.076 3.150 1.00 0.00 C ATOM 0 H LEU A 14 15.541 -0.663 1.841 1.00 0.00 H new ATOM 0 HA LEU A 14 14.100 1.744 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.264 -0.591 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.749 -0.138 3.654 1.00 0.00 H new ATOM 0 HG LEU A 14 12.143 1.592 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.737 2.303 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.465 2.589 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.640 1.209 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.022 0.430 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.905 -0.740 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.219 -0.659 4.038 1.00 0.00 H new ATOM 179 N SER A 15 14.187 2.985 3.667 1.00 0.00 N ATOM 180 CA SER A 15 14.574 3.955 4.682 1.00 0.00 C ATOM 181 C SER A 15 13.330 4.572 5.321 1.00 0.00 C ATOM 182 O SER A 15 12.225 4.097 5.091 1.00 0.00 O ATOM 183 CB SER A 15 15.456 5.026 4.035 1.00 0.00 C ATOM 184 OG SER A 15 15.919 4.606 2.763 1.00 0.00 O ATOM 0 H SER A 15 13.216 3.057 3.364 1.00 0.00 H new ATOM 0 HA SER A 15 15.141 3.463 5.472 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.892 5.953 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.306 5.241 4.682 1.00 0.00 H new ATOM 0 HG SER A 15 16.479 5.308 2.370 1.00 0.00 H new ATOM 190 N PRO A 16 13.477 5.629 6.146 1.00 0.00 N ATOM 191 CA PRO A 16 12.333 6.276 6.799 1.00 0.00 C ATOM 192 C PRO A 16 11.149 6.477 5.850 1.00 0.00 C ATOM 193 O PRO A 16 10.002 6.538 6.286 1.00 0.00 O ATOM 194 CB PRO A 16 12.916 7.613 7.247 1.00 0.00 C ATOM 195 CG PRO A 16 14.342 7.298 7.536 1.00 0.00 C ATOM 196 CD PRO A 16 14.752 6.273 6.520 1.00 0.00 C ATOM 0 HA PRO A 16 11.923 5.678 7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.823 8.371 6.469 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.404 7.997 8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.962 8.191 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.459 6.912 8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.237 6.733 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.457 5.554 6.937 1.00 0.00 H new ATOM 204 N GLU A 17 11.437 6.557 4.549 1.00 0.00 N ATOM 205 CA GLU A 17 10.416 6.722 3.518 1.00 0.00 C ATOM 206 C GLU A 17 9.223 5.821 3.792 1.00 0.00 C ATOM 207 O GLU A 17 8.070 6.244 3.779 1.00 0.00 O ATOM 208 CB GLU A 17 11.079 6.374 2.158 1.00 0.00 C ATOM 209 CG GLU A 17 10.312 5.434 1.197 1.00 0.00 C ATOM 210 CD GLU A 17 10.160 6.031 -0.189 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.243 6.856 -0.382 1.00 0.00 O ATOM 212 OE2 GLU A 17 10.959 5.675 -1.079 1.00 0.00 O ATOM 0 H GLU A 17 12.388 6.509 4.182 1.00 0.00 H new ATOM 0 HA GLU A 17 10.040 7.745 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.269 7.308 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.049 5.921 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.839 4.482 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.326 5.222 1.609 1.00 0.00 H new ATOM 219 N GLN A 18 9.550 4.566 3.974 1.00 0.00 N ATOM 220 CA GLN A 18 8.590 3.510 4.188 1.00 0.00 C ATOM 221 C GLN A 18 7.553 3.818 5.241 1.00 0.00 C ATOM 222 O GLN A 18 6.389 3.476 5.087 1.00 0.00 O ATOM 223 CB GLN A 18 9.338 2.246 4.572 1.00 0.00 C ATOM 224 CG GLN A 18 8.447 1.036 4.670 1.00 0.00 C ATOM 225 CD GLN A 18 8.826 0.112 5.812 1.00 0.00 C ATOM 226 OE1 GLN A 18 8.955 -1.097 5.631 1.00 0.00 O ATOM 227 NE2 GLN A 18 9.002 0.681 6.999 1.00 0.00 N ATOM 0 H GLN A 18 10.517 4.241 3.978 1.00 0.00 H new ATOM 0 HA GLN A 18 8.041 3.390 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.119 2.056 3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.835 2.402 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.415 1.361 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.491 0.482 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.885 1.689 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.255 0.110 7.806 1.00 0.00 H new ATOM 236 N GLN A 19 7.975 4.428 6.314 1.00 0.00 N ATOM 237 CA GLN A 19 7.057 4.742 7.397 1.00 0.00 C ATOM 238 C GLN A 19 6.350 6.058 7.142 1.00 0.00 C ATOM 239 O GLN A 19 5.237 6.278 7.621 1.00 0.00 O ATOM 240 CB GLN A 19 7.789 4.779 8.739 1.00 0.00 C ATOM 241 CG GLN A 19 7.067 4.029 9.847 1.00 0.00 C ATOM 242 CD GLN A 19 7.273 4.663 11.210 1.00 0.00 C ATOM 243 OE1 GLN A 19 8.072 4.185 12.015 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.550 5.745 11.474 1.00 0.00 N ATOM 0 H GLN A 19 8.940 4.720 6.471 1.00 0.00 H new ATOM 0 HA GLN A 19 6.306 3.953 7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.784 4.353 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.923 5.817 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.001 3.996 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.420 2.998 9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.900 6.106 10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.645 6.215 12.374 1.00 0.00 H new ATOM 253 N GLU A 20 6.983 6.924 6.370 1.00 0.00 N ATOM 254 CA GLU A 20 6.383 8.199 6.042 1.00 0.00 C ATOM 255 C GLU A 20 5.157 7.964 5.179 1.00 0.00 C ATOM 256 O GLU A 20 4.199 8.736 5.215 1.00 0.00 O ATOM 257 CB GLU A 20 7.384 9.096 5.313 1.00 0.00 C ATOM 258 CG GLU A 20 6.775 10.387 4.790 1.00 0.00 C ATOM 259 CD GLU A 20 6.275 11.289 5.902 1.00 0.00 C ATOM 260 OE1 GLU A 20 7.115 11.919 6.578 1.00 0.00 O ATOM 261 OE2 GLU A 20 5.044 11.363 6.098 1.00 0.00 O ATOM 0 H GLU A 20 7.905 6.767 5.963 1.00 0.00 H new ATOM 0 HA GLU A 20 6.089 8.704 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.203 9.339 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.814 8.543 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.519 10.922 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.948 10.149 4.121 1.00 0.00 H new ATOM 268 N MET A 21 5.199 6.891 4.390 1.00 0.00 N ATOM 269 CA MET A 21 4.106 6.558 3.509 1.00 0.00 C ATOM 270 C MET A 21 3.183 5.516 4.111 1.00 0.00 C ATOM 271 O MET A 21 2.021 5.799 4.340 1.00 0.00 O ATOM 272 CB MET A 21 4.696 6.040 2.219 1.00 0.00 C ATOM 273 CG MET A 21 5.684 7.007 1.607 1.00 0.00 C ATOM 274 SD MET A 21 5.046 8.680 1.380 1.00 0.00 S ATOM 275 CE MET A 21 5.794 9.117 -0.189 1.00 0.00 C ATOM 0 H MET A 21 5.985 6.243 4.351 1.00 0.00 H new ATOM 0 HA MET A 21 3.504 7.450 3.338 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.192 5.088 2.406 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.893 5.846 1.508 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.570 7.052 2.240 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.003 6.618 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.100 9.729 -0.765 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.711 9.679 -0.011 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.027 8.210 -0.746 1.00 0.00 H new ATOM 285 N LEU A 22 3.715 4.311 4.331 1.00 0.00 N ATOM 286 CA LEU A 22 2.949 3.178 4.880 1.00 0.00 C ATOM 287 C LEU A 22 1.770 3.605 5.751 1.00 0.00 C ATOM 288 O LEU A 22 0.638 3.192 5.511 1.00 0.00 O ATOM 289 CB LEU A 22 3.855 2.262 5.699 1.00 0.00 C ATOM 290 CG LEU A 22 4.524 1.145 4.908 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.462 0.344 5.800 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.476 0.238 4.284 1.00 0.00 C ATOM 0 H LEU A 22 4.691 4.088 4.135 1.00 0.00 H new ATOM 0 HA LEU A 22 2.547 2.650 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.629 2.868 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.267 1.817 6.501 1.00 0.00 H new ATOM 0 HG LEU A 22 5.114 1.594 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.930 -0.449 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.232 1.002 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.896 -0.096 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.969 -0.555 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.861 -0.202 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.845 0.820 3.612 1.00 0.00 H new ATOM 304 N GLN A 23 2.036 4.418 6.767 1.00 0.00 N ATOM 305 CA GLN A 23 0.975 4.868 7.658 1.00 0.00 C ATOM 306 C GLN A 23 -0.091 5.629 6.885 1.00 0.00 C ATOM 307 O GLN A 23 -1.278 5.312 6.970 1.00 0.00 O ATOM 308 CB GLN A 23 1.531 5.752 8.775 1.00 0.00 C ATOM 309 CG GLN A 23 0.444 6.376 9.639 1.00 0.00 C ATOM 310 CD GLN A 23 0.515 5.925 11.085 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.577 4.730 11.371 1.00 0.00 O ATOM 312 NE2 GLN A 23 0.506 6.883 12.003 1.00 0.00 N ATOM 0 H GLN A 23 2.965 4.775 6.992 1.00 0.00 H new ATOM 0 HA GLN A 23 0.525 3.982 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.192 5.158 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.137 6.544 8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.531 7.462 9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.533 6.118 9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.453 7.861 11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.552 6.641 12.993 1.00 0.00 H new ATOM 321 N ALA A 24 0.335 6.636 6.134 1.00 0.00 N ATOM 322 CA ALA A 24 -0.591 7.436 5.353 1.00 0.00 C ATOM 323 C ALA A 24 -1.047 6.696 4.094 1.00 0.00 C ATOM 324 O ALA A 24 -1.872 7.203 3.335 1.00 0.00 O ATOM 325 CB ALA A 24 0.048 8.769 5.002 1.00 0.00 C ATOM 0 H ALA A 24 1.312 6.915 6.051 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.480 7.620 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.652 9.365 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.301 9.303 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.953 8.596 4.420 1.00 0.00 H new ATOM 331 N PHE A 25 -0.524 5.489 3.881 1.00 0.00 N ATOM 332 CA PHE A 25 -0.893 4.695 2.728 1.00 0.00 C ATOM 333 C PHE A 25 -1.922 3.635 3.117 1.00 0.00 C ATOM 334 O PHE A 25 -2.656 3.122 2.276 1.00 0.00 O ATOM 335 CB PHE A 25 0.342 4.030 2.123 1.00 0.00 C ATOM 336 CG PHE A 25 0.057 3.276 0.857 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.658 2.092 0.887 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.509 3.750 -0.363 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.920 1.395 -0.274 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.249 3.055 -1.527 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.465 1.877 -1.480 1.00 0.00 C ATOM 0 H PHE A 25 0.157 5.046 4.498 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.336 5.356 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.093 4.793 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.772 3.346 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.015 1.709 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.070 4.672 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.481 0.473 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.605 3.434 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.667 1.332 -2.390 1.00 0.00 H new ATOM 351 N SER A 26 -1.986 3.314 4.406 1.00 0.00 N ATOM 352 CA SER A 26 -2.940 2.331 4.886 1.00 0.00 C ATOM 353 C SER A 26 -4.351 2.860 4.680 1.00 0.00 C ATOM 354 O SER A 26 -5.255 2.126 4.280 1.00 0.00 O ATOM 355 CB SER A 26 -2.699 2.023 6.365 1.00 0.00 C ATOM 356 OG SER A 26 -2.648 3.213 7.132 1.00 0.00 O ATOM 0 H SER A 26 -1.391 3.719 5.129 1.00 0.00 H new ATOM 0 HA SER A 26 -2.813 1.406 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.494 1.379 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.764 1.474 6.478 1.00 0.00 H new ATOM 0 HG SER A 26 -1.787 3.659 6.987 1.00 0.00 H new ATOM 362 N THR A 27 -4.522 4.152 4.945 1.00 0.00 N ATOM 363 CA THR A 27 -5.817 4.804 4.780 1.00 0.00 C ATOM 364 C THR A 27 -6.234 4.846 3.306 1.00 0.00 C ATOM 365 O THR A 27 -7.388 5.137 2.993 1.00 0.00 O ATOM 366 CB THR A 27 -5.772 6.222 5.347 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.868 6.298 6.436 1.00 0.00 O ATOM 368 CG2 THR A 27 -7.117 6.716 5.833 1.00 0.00 C ATOM 0 H THR A 27 -3.779 4.768 5.275 1.00 0.00 H new ATOM 0 HA THR A 27 -6.557 4.220 5.328 1.00 0.00 H new ATOM 0 HB THR A 27 -5.449 6.853 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.852 7.214 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.014 7.729 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.825 6.717 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.482 6.059 6.622 1.00 0.00 H new ATOM 376 N GLN A 28 -5.291 4.555 2.400 1.00 0.00 N ATOM 377 CA GLN A 28 -5.567 4.561 0.958 1.00 0.00 C ATOM 378 C GLN A 28 -6.926 3.936 0.654 1.00 0.00 C ATOM 379 O GLN A 28 -7.931 4.639 0.548 1.00 0.00 O ATOM 380 CB GLN A 28 -4.476 3.801 0.196 1.00 0.00 C ATOM 381 CG GLN A 28 -3.214 4.609 -0.050 1.00 0.00 C ATOM 382 CD GLN A 28 -3.496 5.976 -0.639 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.047 6.093 -1.734 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.121 7.022 0.089 1.00 0.00 N ATOM 0 H GLN A 28 -4.330 4.312 2.641 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.578 5.601 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.216 2.902 0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.878 3.474 -0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.675 4.728 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.560 4.056 -0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.667 6.879 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.287 7.968 -0.254 1.00 0.00 H new ATOM 393 N SER A 29 -6.955 2.611 0.534 1.00 0.00 N ATOM 394 CA SER A 29 -8.198 1.908 0.265 1.00 0.00 C ATOM 395 C SER A 29 -8.574 1.015 1.445 1.00 0.00 C ATOM 396 O SER A 29 -9.301 0.035 1.289 1.00 0.00 O ATOM 397 CB SER A 29 -8.091 1.068 -1.007 1.00 0.00 C ATOM 398 OG SER A 29 -9.351 0.946 -1.641 1.00 0.00 O ATOM 0 H SER A 29 -6.136 2.009 0.619 1.00 0.00 H new ATOM 0 HA SER A 29 -8.978 2.656 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.378 1.527 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.705 0.078 -0.762 1.00 0.00 H new ATOM 0 HG SER A 29 -9.388 1.548 -2.414 1.00 0.00 H new ATOM 404 N GLY A 30 -8.062 1.357 2.627 1.00 0.00 N ATOM 405 CA GLY A 30 -8.346 0.573 3.815 1.00 0.00 C ATOM 406 C GLY A 30 -7.187 -0.325 4.212 1.00 0.00 C ATOM 407 O GLY A 30 -7.148 -0.841 5.329 1.00 0.00 O ATOM 0 H GLY A 30 -7.456 2.163 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.581 1.244 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.231 -0.038 3.640 1.00 0.00 H new ATOM 411 N MET A 31 -6.242 -0.518 3.291 1.00 0.00 N ATOM 412 CA MET A 31 -5.076 -1.365 3.539 1.00 0.00 C ATOM 413 C MET A 31 -4.491 -1.143 4.934 1.00 0.00 C ATOM 414 O MET A 31 -4.669 -0.084 5.536 1.00 0.00 O ATOM 415 CB MET A 31 -4.003 -1.102 2.481 1.00 0.00 C ATOM 416 CG MET A 31 -2.945 -2.190 2.402 1.00 0.00 C ATOM 417 SD MET A 31 -3.579 -3.724 1.698 1.00 0.00 S ATOM 418 CE MET A 31 -2.369 -4.031 0.414 1.00 0.00 C ATOM 0 H MET A 31 -6.262 -0.097 2.362 1.00 0.00 H new ATOM 0 HA MET A 31 -5.408 -2.402 3.480 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.482 -1.002 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.518 -0.150 2.697 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.109 -1.836 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.556 -2.387 3.401 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.155 -5.099 0.364 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.763 -3.694 -0.545 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.452 -3.487 0.641 1.00 0.00 H new ATOM 428 N ASN A 32 -3.787 -2.156 5.431 1.00 0.00 N ATOM 429 CA ASN A 32 -3.160 -2.096 6.746 1.00 0.00 C ATOM 430 C ASN A 32 -1.840 -1.334 6.686 1.00 0.00 C ATOM 431 O ASN A 32 -1.590 -0.587 5.740 1.00 0.00 O ATOM 432 CB ASN A 32 -2.931 -3.501 7.264 1.00 0.00 C ATOM 433 CG ASN A 32 -3.678 -3.801 8.535 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.889 -2.932 9.382 1.00 0.00 O ATOM 435 ND2 ASN A 32 -4.079 -5.051 8.660 1.00 0.00 N ATOM 0 H ASN A 32 -3.636 -3.035 4.937 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.825 -1.564 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.232 -4.216 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.865 -3.647 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.593 -5.341 9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.875 -5.728 7.925 1.00 0.00 H new ATOM 442 N LEU A 33 -0.998 -1.526 7.695 1.00 0.00 N ATOM 443 CA LEU A 33 0.294 -0.850 7.746 1.00 0.00 C ATOM 444 C LEU A 33 1.447 -1.794 7.389 1.00 0.00 C ATOM 445 O LEU A 33 2.614 -1.411 7.480 1.00 0.00 O ATOM 446 CB LEU A 33 0.522 -0.254 9.138 1.00 0.00 C ATOM 447 CG LEU A 33 0.566 1.273 9.190 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.749 1.799 8.392 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.736 1.860 8.667 1.00 0.00 C ATOM 0 H LEU A 33 -1.185 -2.142 8.486 1.00 0.00 H new ATOM 0 HA LEU A 33 0.276 -0.052 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.271 -0.602 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.460 -0.643 9.534 1.00 0.00 H new ATOM 0 HG LEU A 33 0.689 1.580 10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.765 2.888 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.675 1.404 8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.656 1.483 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.688 2.948 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.888 1.545 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.566 1.508 9.280 1.00 0.00 H new ATOM 461 N GLU A 34 1.128 -3.026 6.991 1.00 0.00 N ATOM 462 CA GLU A 34 2.164 -3.997 6.637 1.00 0.00 C ATOM 463 C GLU A 34 1.988 -4.532 5.218 1.00 0.00 C ATOM 464 O GLU A 34 2.964 -4.914 4.572 1.00 0.00 O ATOM 465 CB GLU A 34 2.172 -5.155 7.636 1.00 0.00 C ATOM 466 CG GLU A 34 2.244 -4.707 9.087 1.00 0.00 C ATOM 467 CD GLU A 34 3.643 -4.813 9.662 1.00 0.00 C ATOM 468 OE1 GLU A 34 4.604 -4.440 8.957 1.00 0.00 O ATOM 469 OE2 GLU A 34 3.777 -5.268 10.817 1.00 0.00 O ATOM 0 H GLU A 34 0.172 -3.373 6.906 1.00 0.00 H new ATOM 0 HA GLU A 34 3.121 -3.477 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.272 -5.753 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.022 -5.803 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.902 -3.675 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.563 -5.313 9.685 1.00 0.00 H new ATOM 476 N TRP A 35 0.758 -4.534 4.723 1.00 0.00 N ATOM 477 CA TRP A 35 0.500 -4.996 3.364 1.00 0.00 C ATOM 478 C TRP A 35 0.673 -3.833 2.401 1.00 0.00 C ATOM 479 O TRP A 35 1.003 -4.018 1.230 1.00 0.00 O ATOM 480 CB TRP A 35 -0.901 -5.596 3.225 1.00 0.00 C ATOM 481 CG TRP A 35 -1.374 -6.338 4.432 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.694 -5.837 5.652 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.587 -7.729 4.507 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.104 -6.841 6.486 1.00 0.00 N ATOM 485 CE2 TRP A 35 -2.041 -8.023 5.801 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.435 -8.747 3.594 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.343 -9.317 6.200 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.737 -10.038 3.985 1.00 0.00 C ATOM 489 CH2 TRP A 35 -2.187 -10.312 5.279 1.00 0.00 C ATOM 0 H TRP A 35 -0.069 -4.225 5.234 1.00 0.00 H new ATOM 0 HA TRP A 35 1.214 -5.785 3.127 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.607 -4.795 3.006 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.911 -6.272 2.370 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.634 -4.794 5.926 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.405 -6.727 7.454 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.087 -8.542 2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.688 -9.529 7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.623 -10.848 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.416 -11.331 5.556 1.00 0.00 H new ATOM 500 N SER A 36 0.465 -2.623 2.920 1.00 0.00 N ATOM 501 CA SER A 36 0.614 -1.415 2.132 1.00 0.00 C ATOM 502 C SER A 36 2.065 -1.260 1.680 1.00 0.00 C ATOM 503 O SER A 36 2.339 -0.672 0.635 1.00 0.00 O ATOM 504 CB SER A 36 0.168 -0.202 2.953 1.00 0.00 C ATOM 505 OG SER A 36 0.957 0.940 2.668 1.00 0.00 O ATOM 0 H SER A 36 0.191 -2.461 3.889 1.00 0.00 H new ATOM 0 HA SER A 36 -0.015 -1.484 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.879 0.016 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.236 -0.436 4.015 1.00 0.00 H new ATOM 0 HG SER A 36 0.573 1.421 1.906 1.00 0.00 H new ATOM 511 N GLN A 37 2.993 -1.802 2.473 1.00 0.00 N ATOM 512 CA GLN A 37 4.412 -1.731 2.145 1.00 0.00 C ATOM 513 C GLN A 37 4.664 -2.293 0.750 1.00 0.00 C ATOM 514 O GLN A 37 5.357 -1.679 -0.061 1.00 0.00 O ATOM 515 CB GLN A 37 5.243 -2.498 3.180 1.00 0.00 C ATOM 516 CG GLN A 37 6.699 -2.689 2.777 1.00 0.00 C ATOM 517 CD GLN A 37 7.639 -2.728 3.965 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.207 -2.703 5.117 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.937 -2.788 3.687 1.00 0.00 N ATOM 0 H GLN A 37 2.784 -2.292 3.343 1.00 0.00 H new ATOM 0 HA GLN A 37 4.715 -0.684 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.205 -1.965 4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.790 -3.475 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.796 -3.617 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.996 -1.878 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.250 -2.807 2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.620 -2.815 4.444 1.00 0.00 H new ATOM 528 N LYS A 38 4.091 -3.461 0.474 1.00 0.00 N ATOM 529 CA LYS A 38 4.254 -4.092 -0.830 1.00 0.00 C ATOM 530 C LYS A 38 3.651 -3.214 -1.919 1.00 0.00 C ATOM 531 O LYS A 38 4.095 -3.230 -3.067 1.00 0.00 O ATOM 532 CB LYS A 38 3.594 -5.472 -0.842 1.00 0.00 C ATOM 533 CG LYS A 38 4.545 -6.605 -0.491 1.00 0.00 C ATOM 534 CD LYS A 38 3.888 -7.962 -0.678 1.00 0.00 C ATOM 535 CE LYS A 38 4.922 -9.068 -0.812 1.00 0.00 C ATOM 536 NZ LYS A 38 5.414 -9.533 0.514 1.00 0.00 N ATOM 0 H LYS A 38 3.514 -3.986 1.131 1.00 0.00 H new ATOM 0 HA LYS A 38 5.320 -4.214 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.763 -5.474 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.173 -5.655 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.435 -6.541 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.874 -6.498 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.237 -8.172 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.257 -7.943 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.486 -9.908 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.763 -8.709 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.117 -10.287 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.853 -8.737 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.616 -9.900 1.071 1.00 0.00 H new ATOM 550 N CYS A 39 2.641 -2.440 -1.540 1.00 0.00 N ATOM 551 CA CYS A 39 1.971 -1.538 -2.466 1.00 0.00 C ATOM 552 C CYS A 39 2.848 -0.330 -2.772 1.00 0.00 C ATOM 553 O CYS A 39 2.725 0.292 -3.827 1.00 0.00 O ATOM 554 CB CYS A 39 0.645 -1.071 -1.867 1.00 0.00 C ATOM 555 SG CYS A 39 -0.491 -2.415 -1.451 1.00 0.00 S ATOM 0 H CYS A 39 2.267 -2.420 -0.591 1.00 0.00 H new ATOM 0 HA CYS A 39 1.782 -2.076 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.849 -0.491 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.155 -0.401 -2.574 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.717 -2.001 -1.575 1.00 0.00 H new ATOM 561 N LEU A 40 3.725 0.002 -1.831 1.00 0.00 N ATOM 562 CA LEU A 40 4.619 1.141 -1.981 1.00 0.00 C ATOM 563 C LEU A 40 6.051 0.711 -2.253 1.00 0.00 C ATOM 564 O LEU A 40 6.979 1.498 -2.106 1.00 0.00 O ATOM 565 CB LEU A 40 4.592 1.980 -0.722 1.00 0.00 C ATOM 566 CG LEU A 40 3.285 2.711 -0.472 1.00 0.00 C ATOM 567 CD1 LEU A 40 2.885 2.579 0.967 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.426 4.166 -0.847 1.00 0.00 C ATOM 0 H LEU A 40 3.835 -0.505 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 40 4.268 1.719 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.801 1.335 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.398 2.712 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 40 2.507 2.264 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.946 3.107 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.757 1.525 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.661 3.008 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.483 4.682 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.212 4.622 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.685 4.246 -1.903 1.00 0.00 H new ATOM 580 N GLN A 41 6.230 -0.533 -2.640 1.00 0.00 N ATOM 581 CA GLN A 41 7.561 -1.042 -2.927 1.00 0.00 C ATOM 582 C GLN A 41 7.694 -1.396 -4.406 1.00 0.00 C ATOM 583 O GLN A 41 8.794 -1.392 -4.959 1.00 0.00 O ATOM 584 CB GLN A 41 7.873 -2.258 -2.052 1.00 0.00 C ATOM 585 CG GLN A 41 8.130 -1.906 -0.596 1.00 0.00 C ATOM 586 CD GLN A 41 9.548 -2.219 -0.162 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.448 -1.391 -0.297 1.00 0.00 O ATOM 588 NE2 GLN A 41 9.755 -3.422 0.363 1.00 0.00 N ATOM 0 H GLN A 41 5.478 -1.211 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 41 8.284 -0.259 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.040 -2.959 -2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.747 -2.770 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.933 -0.845 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.431 -2.455 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.980 -4.078 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.689 -3.689 0.673 1.00 0.00 H new ATOM 597 N ASP A 42 6.564 -1.683 -5.046 1.00 0.00 N ATOM 598 CA ASP A 42 6.551 -2.018 -6.464 1.00 0.00 C ATOM 599 C ASP A 42 6.509 -0.746 -7.302 1.00 0.00 C ATOM 600 O ASP A 42 6.985 -0.718 -8.438 1.00 0.00 O ATOM 601 CB ASP A 42 5.345 -2.899 -6.793 1.00 0.00 C ATOM 602 CG ASP A 42 5.643 -4.376 -6.624 1.00 0.00 C ATOM 603 OD1 ASP A 42 6.162 -4.758 -5.554 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.360 -5.151 -7.561 1.00 0.00 O ATOM 0 H ASP A 42 5.645 -1.690 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 42 7.462 -2.569 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.511 -2.624 -6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.030 -2.710 -7.819 1.00 0.00 H new ATOM 609 N ASN A 43 5.933 0.308 -6.729 1.00 0.00 N ATOM 610 CA ASN A 43 5.825 1.592 -7.411 1.00 0.00 C ATOM 611 C ASN A 43 6.918 2.563 -6.957 1.00 0.00 C ATOM 612 O ASN A 43 7.075 3.639 -7.534 1.00 0.00 O ATOM 613 CB ASN A 43 4.443 2.195 -7.171 1.00 0.00 C ATOM 614 CG ASN A 43 3.348 1.398 -7.854 1.00 0.00 C ATOM 615 OD1 ASN A 43 2.696 1.883 -8.779 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.140 0.167 -7.399 1.00 0.00 N ATOM 0 H ASN A 43 5.533 0.296 -5.791 1.00 0.00 H new ATOM 0 HA ASN A 43 5.961 1.420 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.247 2.236 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.427 3.221 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.416 -0.416 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.704 -0.195 -6.630 1.00 0.00 H new ATOM 623 N ASN A 44 7.686 2.169 -5.935 1.00 0.00 N ATOM 624 CA ASN A 44 8.784 2.988 -5.415 1.00 0.00 C ATOM 625 C ASN A 44 8.311 4.045 -4.419 1.00 0.00 C ATOM 626 O ASN A 44 8.909 5.117 -4.325 1.00 0.00 O ATOM 627 CB ASN A 44 9.557 3.663 -6.554 1.00 0.00 C ATOM 628 CG ASN A 44 9.719 2.759 -7.761 1.00 0.00 C ATOM 629 OD1 ASN A 44 9.837 1.541 -7.628 1.00 0.00 O ATOM 630 ND2 ASN A 44 9.727 3.353 -8.948 1.00 0.00 N ATOM 0 H ASN A 44 7.565 1.280 -5.449 1.00 0.00 H new ATOM 0 HA ASN A 44 9.446 2.304 -4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.037 4.573 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.541 3.962 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.834 2.796 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.626 4.366 -9.012 1.00 0.00 H new ATOM 637 N TRP A 45 7.267 3.742 -3.651 1.00 0.00 N ATOM 638 CA TRP A 45 6.780 4.676 -2.650 1.00 0.00 C ATOM 639 C TRP A 45 6.325 5.996 -3.251 1.00 0.00 C ATOM 640 O TRP A 45 6.399 7.035 -2.595 1.00 0.00 O ATOM 641 CB TRP A 45 7.866 4.907 -1.605 1.00 0.00 C ATOM 642 CG TRP A 45 8.239 3.629 -0.941 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.195 2.741 -1.342 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.623 3.065 0.215 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.194 1.656 -0.509 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.244 1.838 0.452 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.605 3.476 1.075 1.00 0.00 C ATOM 648 CZ2 TRP A 45 7.879 1.027 1.500 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.241 2.665 2.116 1.00 0.00 C ATOM 650 CH2 TRP A 45 6.878 1.454 2.320 1.00 0.00 C ATOM 0 H TRP A 45 6.749 2.865 -3.704 1.00 0.00 H new ATOM 0 HA TRP A 45 5.901 4.233 -2.181 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.744 5.347 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.514 5.620 -0.860 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.852 2.875 -2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.804 0.843 -0.593 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.109 4.423 0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.371 0.080 1.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.450 2.973 2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.575 0.832 3.149 1.00 0.00 H new ATOM 661 N ASP A 46 5.812 5.960 -4.478 1.00 0.00 N ATOM 662 CA ASP A 46 5.307 7.174 -5.104 1.00 0.00 C ATOM 663 C ASP A 46 4.253 7.775 -4.197 1.00 0.00 C ATOM 664 O ASP A 46 4.161 8.990 -4.030 1.00 0.00 O ATOM 665 CB ASP A 46 4.722 6.877 -6.487 1.00 0.00 C ATOM 666 CG ASP A 46 5.646 7.305 -7.610 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.872 7.369 -7.379 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.144 7.576 -8.721 1.00 0.00 O ATOM 0 H ASP A 46 5.736 5.118 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 46 6.125 7.880 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.522 5.809 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.766 7.390 -6.592 1.00 0.00 H new ATOM 673 N TYR A 47 3.490 6.877 -3.582 1.00 0.00 N ATOM 674 CA TYR A 47 2.446 7.223 -2.632 1.00 0.00 C ATOM 675 C TYR A 47 1.131 7.612 -3.298 1.00 0.00 C ATOM 676 O TYR A 47 0.080 7.593 -2.657 1.00 0.00 O ATOM 677 CB TYR A 47 2.900 8.332 -1.692 1.00 0.00 C ATOM 678 CG TYR A 47 1.935 8.550 -0.563 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.824 9.360 -0.740 1.00 0.00 C ATOM 680 CD2 TYR A 47 2.126 7.944 0.673 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.072 9.567 0.285 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.236 8.144 1.702 1.00 0.00 C ATOM 683 CZ TYR A 47 0.135 8.960 1.504 1.00 0.00 C ATOM 684 OH TYR A 47 -0.761 9.173 2.521 1.00 0.00 O ATOM 0 H TYR A 47 3.584 5.873 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 47 2.259 6.317 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.881 8.083 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.014 9.259 -2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.659 9.836 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.985 7.308 0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.932 10.202 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.395 7.668 2.658 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.421 8.449 2.532 1.00 0.00 H new ATOM 694 N THR A 48 1.181 7.949 -4.574 1.00 0.00 N ATOM 695 CA THR A 48 -0.021 8.320 -5.301 1.00 0.00 C ATOM 696 C THR A 48 -0.289 7.291 -6.385 1.00 0.00 C ATOM 697 O THR A 48 -1.372 6.711 -6.460 1.00 0.00 O ATOM 698 CB THR A 48 0.125 9.714 -5.914 1.00 0.00 C ATOM 699 OG1 THR A 48 1.290 10.356 -5.426 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.053 10.620 -5.627 1.00 0.00 C ATOM 0 H THR A 48 2.037 7.974 -5.127 1.00 0.00 H new ATOM 0 HA THR A 48 -0.862 8.345 -4.608 1.00 0.00 H new ATOM 0 HB THR A 48 0.184 9.552 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.367 11.245 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.885 11.592 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.961 10.176 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.162 10.745 -4.550 1.00 0.00 H new ATOM 708 N ARG A 49 0.726 7.046 -7.206 1.00 0.00 N ATOM 709 CA ARG A 49 0.626 6.058 -8.265 1.00 0.00 C ATOM 710 C ARG A 49 0.677 4.656 -7.667 1.00 0.00 C ATOM 711 O ARG A 49 0.210 3.693 -8.275 1.00 0.00 O ATOM 712 CB ARG A 49 1.755 6.241 -9.281 1.00 0.00 C ATOM 713 CG ARG A 49 1.582 5.408 -10.540 1.00 0.00 C ATOM 714 CD ARG A 49 2.464 4.170 -10.514 1.00 0.00 C ATOM 715 NE ARG A 49 3.045 3.885 -11.824 1.00 0.00 N ATOM 716 CZ ARG A 49 4.123 4.499 -12.299 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.733 5.427 -11.577 1.00 0.00 N ATOM 718 NH2 ARG A 49 4.592 4.183 -13.499 1.00 0.00 N ATOM 0 H ARG A 49 1.627 7.521 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.324 6.193 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.816 7.294 -9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.702 5.979 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.538 5.110 -10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.827 6.012 -11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.263 4.309 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.877 3.313 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 49 2.598 3.176 -12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.375 5.672 -10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.561 5.897 -11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.125 3.468 -14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.420 4.655 -13.863 1.00 0.00 H new ATOM 732 N SER A 50 1.232 4.552 -6.457 1.00 0.00 N ATOM 733 CA SER A 50 1.322 3.278 -5.768 1.00 0.00 C ATOM 734 C SER A 50 -0.069 2.823 -5.370 1.00 0.00 C ATOM 735 O SER A 50 -0.593 1.864 -5.924 1.00 0.00 O ATOM 736 CB SER A 50 2.218 3.399 -4.535 1.00 0.00 C ATOM 737 OG SER A 50 3.513 3.855 -4.886 1.00 0.00 O ATOM 0 H SER A 50 1.624 5.339 -5.940 1.00 0.00 H new ATOM 0 HA SER A 50 1.764 2.539 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.768 4.089 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.292 2.431 -4.040 1.00 0.00 H new ATOM 0 HG SER A 50 4.183 3.383 -4.349 1.00 0.00 H new ATOM 743 N ALA A 51 -0.672 3.534 -4.420 1.00 0.00 N ATOM 744 CA ALA A 51 -2.023 3.210 -3.966 1.00 0.00 C ATOM 745 C ALA A 51 -2.960 2.964 -5.144 1.00 0.00 C ATOM 746 O ALA A 51 -3.943 2.241 -5.023 1.00 0.00 O ATOM 747 CB ALA A 51 -2.578 4.316 -3.089 1.00 0.00 C ATOM 0 H ALA A 51 -0.249 4.335 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.958 2.293 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.584 4.052 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.937 4.445 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.612 5.247 -3.655 1.00 0.00 H new ATOM 753 N GLN A 52 -2.658 3.570 -6.286 1.00 0.00 N ATOM 754 CA GLN A 52 -3.491 3.394 -7.468 1.00 0.00 C ATOM 755 C GLN A 52 -3.435 1.950 -7.948 1.00 0.00 C ATOM 756 O GLN A 52 -4.469 1.308 -8.140 1.00 0.00 O ATOM 757 CB GLN A 52 -3.049 4.341 -8.585 1.00 0.00 C ATOM 758 CG GLN A 52 -4.207 4.992 -9.325 1.00 0.00 C ATOM 759 CD GLN A 52 -4.227 4.642 -10.800 1.00 0.00 C ATOM 760 OE1 GLN A 52 -4.916 3.713 -11.221 1.00 0.00 O ATOM 761 NE2 GLN A 52 -3.466 5.387 -11.594 1.00 0.00 N ATOM 0 H GLN A 52 -1.852 4.181 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.520 3.633 -7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.416 5.120 -8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.438 3.788 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.146 4.680 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.142 6.074 -9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.911 6.147 -11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.437 5.199 -12.596 1.00 0.00 H new ATOM 770 N ALA A 53 -2.225 1.438 -8.120 1.00 0.00 N ATOM 771 CA ALA A 53 -2.035 0.061 -8.555 1.00 0.00 C ATOM 772 C ALA A 53 -2.429 -0.914 -7.452 1.00 0.00 C ATOM 773 O ALA A 53 -2.700 -2.086 -7.709 1.00 0.00 O ATOM 774 CB ALA A 53 -0.588 -0.162 -8.950 1.00 0.00 C ATOM 0 H ALA A 53 -1.360 1.955 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.676 -0.119 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.454 -1.194 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.326 0.511 -9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.057 0.036 -8.094 1.00 0.00 H new ATOM 780 N PHE A 54 -2.458 -0.416 -6.221 1.00 0.00 N ATOM 781 CA PHE A 54 -2.815 -1.222 -5.072 1.00 0.00 C ATOM 782 C PHE A 54 -4.307 -1.521 -5.094 1.00 0.00 C ATOM 783 O PHE A 54 -4.727 -2.633 -4.785 1.00 0.00 O ATOM 784 CB PHE A 54 -2.385 -0.496 -3.772 1.00 0.00 C ATOM 785 CG PHE A 54 -3.425 -0.431 -2.674 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.731 -1.556 -1.927 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.096 0.754 -2.396 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.678 -1.502 -0.926 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.046 0.813 -1.394 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.333 -0.315 -0.661 1.00 0.00 C ATOM 0 H PHE A 54 -2.235 0.554 -5.998 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.289 -2.176 -5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.499 -0.994 -3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.091 0.522 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.222 -2.487 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.872 1.641 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.907 -2.386 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.560 1.740 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.073 -0.272 0.124 1.00 0.00 H new ATOM 800 N THR A 55 -5.102 -0.519 -5.455 1.00 0.00 N ATOM 801 CA THR A 55 -6.543 -0.685 -5.500 1.00 0.00 C ATOM 802 C THR A 55 -6.927 -1.795 -6.468 1.00 0.00 C ATOM 803 O THR A 55 -7.723 -2.673 -6.137 1.00 0.00 O ATOM 804 CB THR A 55 -7.239 0.620 -5.890 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.302 0.758 -7.298 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.563 1.856 -5.337 1.00 0.00 C ATOM 0 H THR A 55 -4.772 0.409 -5.718 1.00 0.00 H new ATOM 0 HA THR A 55 -6.875 -0.962 -4.500 1.00 0.00 H new ATOM 0 HB THR A 55 -8.236 0.549 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.403 0.927 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.111 2.743 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.550 1.807 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.540 1.909 -5.710 1.00 0.00 H new ATOM 814 N HIS A 56 -6.342 -1.762 -7.660 1.00 0.00 N ATOM 815 CA HIS A 56 -6.614 -2.779 -8.664 1.00 0.00 C ATOM 816 C HIS A 56 -6.250 -4.161 -8.130 1.00 0.00 C ATOM 817 O HIS A 56 -6.793 -5.173 -8.570 1.00 0.00 O ATOM 818 CB HIS A 56 -5.817 -2.491 -9.935 1.00 0.00 C ATOM 819 CG HIS A 56 -6.240 -3.319 -11.108 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.359 -3.924 -11.978 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.482 -3.640 -11.551 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.077 -4.578 -12.901 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.371 -4.437 -12.686 1.00 0.00 N ATOM 0 H HIS A 56 -5.679 -1.044 -7.952 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.678 -2.759 -8.898 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.922 -1.436 -10.189 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.759 -2.668 -9.739 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.409 -3.327 -11.095 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.652 -5.147 -13.715 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.133 -4.831 -13.238 1.00 0.00 H new ATOM 831 N LEU A 57 -5.315 -4.187 -7.186 1.00 0.00 N ATOM 832 CA LEU A 57 -4.856 -5.434 -6.588 1.00 0.00 C ATOM 833 C LEU A 57 -5.804 -5.924 -5.493 1.00 0.00 C ATOM 834 O LEU A 57 -5.911 -7.126 -5.251 1.00 0.00 O ATOM 835 CB LEU A 57 -3.451 -5.247 -6.012 1.00 0.00 C ATOM 836 CG LEU A 57 -2.663 -6.538 -5.785 1.00 0.00 C ATOM 837 CD1 LEU A 57 -1.168 -6.272 -5.863 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.029 -7.151 -4.442 1.00 0.00 C ATOM 0 H LEU A 57 -4.858 -3.353 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.837 -6.190 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.882 -4.607 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.532 -4.718 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.925 -7.247 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.624 -7.202 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.920 -5.875 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.887 -5.548 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.460 -8.069 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.794 -6.446 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.095 -7.377 -4.424 1.00 0.00 H new ATOM 850 N LYS A 58 -6.488 -4.994 -4.827 1.00 0.00 N ATOM 851 CA LYS A 58 -7.415 -5.359 -3.757 1.00 0.00 C ATOM 852 C LYS A 58 -8.473 -6.337 -4.258 1.00 0.00 C ATOM 853 O LYS A 58 -8.927 -7.208 -3.517 1.00 0.00 O ATOM 854 CB LYS A 58 -8.097 -4.117 -3.177 1.00 0.00 C ATOM 855 CG LYS A 58 -7.131 -3.025 -2.749 1.00 0.00 C ATOM 856 CD LYS A 58 -7.858 -1.756 -2.325 1.00 0.00 C ATOM 857 CE LYS A 58 -8.938 -1.351 -3.320 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.289 -1.806 -2.891 1.00 0.00 N ATOM 0 H LYS A 58 -6.419 -3.992 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.833 -5.842 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.782 -3.711 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.698 -4.413 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.519 -3.386 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.453 -2.797 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.309 -1.908 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.138 -0.944 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.939 -0.267 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.707 -1.773 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.866 -2.018 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.198 -2.662 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.748 -1.056 -2.335 1.00 0.00 H new ATOM 872 N ALA A 59 -8.863 -6.184 -5.519 1.00 0.00 N ATOM 873 CA ALA A 59 -9.872 -7.051 -6.115 1.00 0.00 C ATOM 874 C ALA A 59 -9.238 -8.116 -7.005 1.00 0.00 C ATOM 875 O ALA A 59 -9.503 -9.308 -6.848 1.00 0.00 O ATOM 876 CB ALA A 59 -10.871 -6.225 -6.911 1.00 0.00 C ATOM 0 H ALA A 59 -8.496 -5.469 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.395 -7.561 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.619 -6.884 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.361 -5.510 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.350 -5.688 -7.703 1.00 0.00 H new ATOM 882 N LYS A 60 -8.402 -7.679 -7.941 1.00 0.00 N ATOM 883 CA LYS A 60 -7.735 -8.596 -8.859 1.00 0.00 C ATOM 884 C LYS A 60 -6.695 -9.439 -8.128 1.00 0.00 C ATOM 885 O LYS A 60 -6.685 -10.666 -8.239 1.00 0.00 O ATOM 886 CB LYS A 60 -7.071 -7.819 -9.996 1.00 0.00 C ATOM 887 CG LYS A 60 -8.057 -7.091 -10.894 1.00 0.00 C ATOM 888 CD LYS A 60 -8.350 -7.885 -12.158 1.00 0.00 C ATOM 889 CE LYS A 60 -7.173 -7.853 -13.119 1.00 0.00 C ATOM 890 NZ LYS A 60 -7.617 -7.857 -14.540 1.00 0.00 N ATOM 0 H LYS A 60 -8.170 -6.696 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.489 -9.264 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.376 -7.095 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.483 -8.509 -10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.985 -6.915 -10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.654 -6.114 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.579 -8.918 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.234 -7.477 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.573 -6.963 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.532 -8.715 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.785 -7.835 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.168 -8.718 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.208 -7.021 -14.721 1.00 0.00 H new ATOM 904 N GLY A 61 -5.820 -8.773 -7.383 1.00 0.00 N ATOM 905 CA GLY A 61 -4.788 -9.476 -6.645 1.00 0.00 C ATOM 906 C GLY A 61 -5.349 -10.314 -5.516 1.00 0.00 C ATOM 907 O GLY A 61 -6.479 -10.797 -5.593 1.00 0.00 O ATOM 0 H GLY A 61 -5.807 -7.759 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.232 -10.118 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.080 -8.753 -6.239 1.00 0.00 H new ATOM 911 N GLU A 62 -4.558 -10.487 -4.462 1.00 0.00 N ATOM 912 CA GLU A 62 -4.984 -11.275 -3.312 1.00 0.00 C ATOM 913 C GLU A 62 -4.717 -10.528 -2.008 1.00 0.00 C ATOM 914 O GLU A 62 -3.678 -10.715 -1.375 1.00 0.00 O ATOM 915 CB GLU A 62 -4.262 -12.623 -3.296 1.00 0.00 C ATOM 916 CG GLU A 62 -4.627 -13.494 -2.105 1.00 0.00 C ATOM 917 CD GLU A 62 -3.512 -14.444 -1.714 1.00 0.00 C ATOM 918 OE1 GLU A 62 -2.333 -14.106 -1.951 1.00 0.00 O ATOM 919 OE2 GLU A 62 -3.818 -15.527 -1.172 1.00 0.00 O ATOM 0 H GLU A 62 -3.621 -10.093 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.057 -11.445 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.495 -13.162 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.186 -12.449 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.871 -12.857 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.523 -14.068 -2.341 1.00 0.00 H new ATOM 926 N ILE A 63 -5.668 -9.689 -1.607 1.00 0.00 N ATOM 927 CA ILE A 63 -5.542 -8.923 -0.373 1.00 0.00 C ATOM 928 C ILE A 63 -6.424 -9.519 0.716 1.00 0.00 C ATOM 929 O ILE A 63 -7.629 -9.271 0.748 1.00 0.00 O ATOM 930 CB ILE A 63 -5.923 -7.429 -0.585 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.829 -6.724 -1.391 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.155 -6.706 0.749 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.015 -5.225 -1.491 1.00 0.00 C ATOM 0 H ILE A 63 -6.534 -9.523 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.497 -8.973 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.860 -7.396 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.862 -6.931 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.802 -7.145 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.419 -5.666 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.966 -7.193 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.245 -6.745 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.202 -4.796 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.966 -5.008 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.011 -4.790 -0.491 1.00 0.00 H new ATOM 945 N PRO A 64 -5.840 -10.282 1.645 1.00 0.00 N ATOM 946 CA PRO A 64 -6.600 -10.861 2.743 1.00 0.00 C ATOM 947 C PRO A 64 -7.330 -9.760 3.499 1.00 0.00 C ATOM 948 O PRO A 64 -6.847 -8.631 3.573 1.00 0.00 O ATOM 949 CB PRO A 64 -5.530 -11.520 3.615 1.00 0.00 C ATOM 950 CG PRO A 64 -4.385 -11.757 2.695 1.00 0.00 C ATOM 951 CD PRO A 64 -4.406 -10.611 1.727 1.00 0.00 C ATOM 0 HA PRO A 64 -7.363 -11.570 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.244 -10.875 4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.891 -12.454 4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.443 -11.792 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.488 -12.710 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.817 -9.767 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.999 -10.894 0.756 1.00 0.00 H new ATOM 959 N GLU A 65 -8.500 -10.071 4.031 1.00 0.00 N ATOM 960 CA GLU A 65 -9.284 -9.072 4.746 1.00 0.00 C ATOM 961 C GLU A 65 -8.484 -8.420 5.871 1.00 0.00 C ATOM 962 O GLU A 65 -8.689 -7.249 6.184 1.00 0.00 O ATOM 963 CB GLU A 65 -10.559 -9.685 5.306 1.00 0.00 C ATOM 964 CG GLU A 65 -11.207 -10.711 4.390 1.00 0.00 C ATOM 965 CD GLU A 65 -12.685 -10.894 4.673 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.031 -11.253 5.818 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.497 -10.676 3.749 1.00 0.00 O ATOM 0 H GLU A 65 -8.927 -10.996 3.984 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.547 -8.297 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.333 -10.158 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.275 -8.888 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.075 -10.402 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.698 -11.668 4.505 1.00 0.00 H new ATOM 974 N VAL A 66 -7.570 -9.175 6.477 1.00 0.00 N ATOM 975 CA VAL A 66 -6.742 -8.644 7.564 1.00 0.00 C ATOM 976 C VAL A 66 -6.166 -7.280 7.173 1.00 0.00 C ATOM 977 O VAL A 66 -6.137 -6.351 7.981 1.00 0.00 O ATOM 978 CB VAL A 66 -5.597 -9.630 7.940 1.00 0.00 C ATOM 979 CG1 VAL A 66 -5.026 -10.284 6.702 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.474 -8.950 8.715 1.00 0.00 C ATOM 0 H VAL A 66 -7.383 -10.149 6.238 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.377 -8.522 8.441 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.041 -10.387 8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.228 -10.969 6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.812 -10.837 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.627 -9.518 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.701 -9.681 8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.045 -8.152 8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.872 -8.530 9.639 1.00 0.00 H new ATOM 990 N ALA A 67 -5.720 -7.172 5.927 1.00 0.00 N ATOM 991 CA ALA A 67 -5.153 -5.929 5.419 1.00 0.00 C ATOM 992 C ALA A 67 -6.063 -4.745 5.732 1.00 0.00 C ATOM 993 O ALA A 67 -5.609 -3.716 6.233 1.00 0.00 O ATOM 994 CB ALA A 67 -4.919 -6.035 3.921 1.00 0.00 C ATOM 0 H ALA A 67 -5.740 -7.933 5.248 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.197 -5.761 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.495 -5.101 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.227 -6.853 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.866 -6.228 3.417 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.349 -4.900 5.432 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.330 -3.847 5.682 1.00 0.00 C ATOM 1002 C PHE A 68 -8.877 -3.931 7.105 1.00 0.00 C ATOM 1003 O PHE A 68 -10.090 -3.905 7.314 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.483 -3.944 4.680 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.047 -3.997 3.259 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.669 -2.846 2.599 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -9.030 -5.197 2.580 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.277 -2.891 1.281 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.640 -5.252 1.264 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.261 -4.097 0.608 1.00 0.00 C ATOM 0 H PHE A 68 -7.737 -5.746 5.015 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.827 -2.888 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.070 -4.835 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.142 -3.086 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.681 -1.901 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.326 -6.103 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.982 -1.985 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.630 -6.198 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.954 -4.137 -0.427 1.00 0.00 H new ATOM 1020 N MET A 69 -7.978 -4.032 8.079 1.00 0.00 N ATOM 1021 CA MET A 69 -8.376 -4.118 9.481 1.00 0.00 C ATOM 1022 C MET A 69 -9.447 -5.186 9.681 1.00 0.00 C ATOM 1023 O MET A 69 -10.570 -4.885 10.085 1.00 0.00 O ATOM 1024 CB MET A 69 -8.894 -2.764 9.969 1.00 0.00 C ATOM 1025 CG MET A 69 -7.850 -1.945 10.709 1.00 0.00 C ATOM 1026 SD MET A 69 -8.398 -0.260 11.044 1.00 0.00 S ATOM 1027 CE MET A 69 -8.826 0.292 9.395 1.00 0.00 C ATOM 0 H MET A 69 -6.970 -4.056 7.924 1.00 0.00 H new ATOM 0 HA MET A 69 -7.498 -4.397 10.064 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.253 -2.192 9.114 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.749 -2.926 10.626 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.608 -2.438 11.650 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.933 -1.914 10.120 1.00 0.00 H new ATOM 0 HE1 MET A 69 -8.633 1.361 9.308 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.223 -0.246 8.663 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.882 0.097 9.209 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.091 -6.435 9.398 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.021 -7.547 9.551 1.00 0.00 C ATOM 1039 C LYS A 70 -9.280 -8.830 9.920 1.00 0.00 C ATOM 1040 O LYS A 70 -9.818 -9.922 9.644 1.00 0.00 O ATOM 1041 CB LYS A 70 -10.815 -7.757 8.260 1.00 0.00 C ATOM 1042 CG LYS A 70 -11.198 -6.462 7.563 1.00 0.00 C ATOM 1043 CD LYS A 70 -12.332 -6.676 6.574 1.00 0.00 C ATOM 1044 CE LYS A 70 -11.878 -6.428 5.144 1.00 0.00 C ATOM 1045 NZ LYS A 70 -12.734 -7.144 4.158 1.00 0.00 N ATOM 1046 OXT LYS A 70 -8.170 -8.729 10.480 1.00 0.00 O ATOM 0 H LYS A 70 -8.166 -6.702 9.062 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.711 -7.302 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.225 -8.367 7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.721 -8.319 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.496 -5.722 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.330 -6.058 7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.709 -7.695 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.158 -6.007 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.901 -5.358 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.844 -6.752 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.198 -7.298 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.024 -8.062 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.579 -6.573 3.952 1.00 0.00 H new TER 1060 LYS A 70