USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 672 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 5 SER OG : rot 110:sc= 0.329 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.314 USER MOD Set 2.1: A 16 ASN : amide:sc= -4.75! C(o=-8.3!,f=-13!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= -1.56! K(o=-8.3!,f=-5) USER MOD Set 2.3: A 81 GLN : amide:sc= -1.96! K(o=-8.3!,f=-6.4) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0259 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 33:sc= 0.621 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -59:sc= 0.786 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -145:sc= -2.07 (180deg=-4.33!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0.881 (180deg=0.168) USER MOD Single : A 37 THR OG1 : rot 82:sc= 0.0263 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : A 66 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.3!) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.821 USER MOD Single : A 71 ASN : amide:sc= 0.0544 X(o=0.054,f=0) USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.541 USER MOD Single : A 73 HIS : no HE2:sc= -2.91! C(o=-2.9!,f=-3.3!) USER MOD Single : A 75 MET CE :methyl -106:sc= -1.84 (180deg=-5.62!) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0236) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 150:sc= -0.407 (180deg=-1.54!) USER MOD Single : A 86 SER OG : rot 21:sc= 1.08 USER MOD Single : A 89 SER OG : rot 21:sc= 0.043 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.845 4.292 15.595 1.00 0.00 N ATOM 2 CA GLY A 1 6.447 3.273 16.549 1.00 0.00 C ATOM 3 C GLY A 1 7.634 2.556 17.160 1.00 0.00 C ATOM 4 O GLY A 1 8.706 3.141 17.320 1.00 0.00 O ATOM 0 H1 GLY A 1 6.227 5.122 15.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.831 4.571 15.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.763 3.914 14.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.857 3.733 17.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.804 2.546 16.053 1.00 0.00 H new ATOM 8 N SER A 2 7.443 1.287 17.505 1.00 0.00 N ATOM 9 CA SER A 2 8.506 0.491 18.108 1.00 0.00 C ATOM 10 C SER A 2 9.753 0.492 17.229 1.00 0.00 C ATOM 11 O SER A 2 10.839 0.864 17.674 1.00 0.00 O ATOM 12 CB SER A 2 8.030 -0.946 18.334 1.00 0.00 C ATOM 13 OG SER A 2 9.018 -1.712 19.001 1.00 0.00 O ATOM 0 H SER A 2 6.563 0.788 17.377 1.00 0.00 H new ATOM 0 HA SER A 2 8.760 0.939 19.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.112 -0.940 18.922 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.792 -1.408 17.376 1.00 0.00 H new ATOM 0 HG SER A 2 8.689 -2.625 19.135 1.00 0.00 H new ATOM 19 N SER A 3 9.587 0.075 15.978 1.00 0.00 N ATOM 20 CA SER A 3 10.699 0.024 15.036 1.00 0.00 C ATOM 21 C SER A 3 10.730 1.275 14.164 1.00 0.00 C ATOM 22 O SER A 3 9.842 1.493 13.340 1.00 0.00 O ATOM 23 CB SER A 3 10.593 -1.222 14.156 1.00 0.00 C ATOM 24 OG SER A 3 9.378 -1.230 13.427 1.00 0.00 O ATOM 0 H SER A 3 8.694 -0.232 15.593 1.00 0.00 H new ATOM 0 HA SER A 3 11.626 -0.022 15.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.435 -1.256 13.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.654 -2.116 14.777 1.00 0.00 H new ATOM 0 HG SER A 3 9.122 -0.310 13.208 1.00 0.00 H new ATOM 30 N GLY A 4 11.759 2.096 14.352 1.00 0.00 N ATOM 31 CA GLY A 4 11.887 3.316 13.577 1.00 0.00 C ATOM 32 C GLY A 4 12.615 3.096 12.266 1.00 0.00 C ATOM 33 O GLY A 4 13.419 2.173 12.143 1.00 0.00 O ATOM 0 H GLY A 4 12.507 1.938 15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.895 3.720 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.421 4.062 14.165 1.00 0.00 H new ATOM 37 N SER A 5 12.330 3.944 11.283 1.00 0.00 N ATOM 38 CA SER A 5 12.960 3.834 9.972 1.00 0.00 C ATOM 39 C SER A 5 13.651 5.140 9.591 1.00 0.00 C ATOM 40 O SER A 5 13.254 6.218 10.033 1.00 0.00 O ATOM 41 CB SER A 5 11.920 3.466 8.912 1.00 0.00 C ATOM 42 OG SER A 5 10.864 4.412 8.884 1.00 0.00 O ATOM 0 H SER A 5 11.667 4.715 11.369 1.00 0.00 H new ATOM 0 HA SER A 5 13.711 3.046 10.022 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.396 3.418 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.519 2.474 9.120 1.00 0.00 H new ATOM 0 HG SER A 5 10.916 4.936 8.057 1.00 0.00 H new ATOM 48 N SER A 6 14.688 5.034 8.766 1.00 0.00 N ATOM 49 CA SER A 6 15.438 6.205 8.326 1.00 0.00 C ATOM 50 C SER A 6 15.390 6.342 6.808 1.00 0.00 C ATOM 51 O SER A 6 15.072 5.391 6.097 1.00 0.00 O ATOM 52 CB SER A 6 16.891 6.111 8.796 1.00 0.00 C ATOM 53 OG SER A 6 17.010 6.463 10.163 1.00 0.00 O ATOM 0 H SER A 6 15.028 4.149 8.389 1.00 0.00 H new ATOM 0 HA SER A 6 14.977 7.089 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.260 5.096 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.515 6.770 8.192 1.00 0.00 H new ATOM 0 HG SER A 6 17.948 6.393 10.438 1.00 0.00 H new ATOM 59 N GLY A 7 15.708 7.537 6.318 1.00 0.00 N ATOM 60 CA GLY A 7 15.695 7.779 4.887 1.00 0.00 C ATOM 61 C GLY A 7 14.424 8.464 4.427 1.00 0.00 C ATOM 62 O GLY A 7 13.431 8.529 5.152 1.00 0.00 O ATOM 0 H GLY A 7 15.974 8.341 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.554 8.394 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.804 6.831 4.360 1.00 0.00 H new ATOM 66 N PRO A 8 14.446 8.994 3.195 1.00 0.00 N ATOM 67 CA PRO A 8 13.295 9.690 2.612 1.00 0.00 C ATOM 68 C PRO A 8 12.146 8.739 2.289 1.00 0.00 C ATOM 69 O PRO A 8 12.350 7.537 2.125 1.00 0.00 O ATOM 70 CB PRO A 8 13.861 10.299 1.327 1.00 0.00 C ATOM 71 CG PRO A 8 15.015 9.426 0.971 1.00 0.00 C ATOM 72 CD PRO A 8 15.596 8.955 2.276 1.00 0.00 C ATOM 0 HA PRO A 8 12.873 10.425 3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.115 10.312 0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.178 11.330 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.693 8.583 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.755 9.976 0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.010 7.950 2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.403 9.605 2.614 1.00 0.00 H new ATOM 80 N ALA A 9 10.939 9.287 2.199 1.00 0.00 N ATOM 81 CA ALA A 9 9.758 8.489 1.894 1.00 0.00 C ATOM 82 C ALA A 9 9.704 8.134 0.411 1.00 0.00 C ATOM 83 O ALA A 9 9.999 8.966 -0.446 1.00 0.00 O ATOM 84 CB ALA A 9 8.497 9.232 2.308 1.00 0.00 C ATOM 0 H ALA A 9 10.753 10.281 2.333 1.00 0.00 H new ATOM 0 HA ALA A 9 9.821 7.560 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.623 8.624 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.526 9.429 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.437 10.176 1.767 1.00 0.00 H new ATOM 90 N ARG A 10 9.325 6.895 0.117 1.00 0.00 N ATOM 91 CA ARG A 10 9.234 6.430 -1.261 1.00 0.00 C ATOM 92 C ARG A 10 7.780 6.367 -1.719 1.00 0.00 C ATOM 93 O ARG A 10 6.863 6.141 -0.928 1.00 0.00 O ATOM 94 CB ARG A 10 9.884 5.053 -1.401 1.00 0.00 C ATOM 95 CG ARG A 10 9.309 4.009 -0.458 1.00 0.00 C ATOM 96 CD ARG A 10 10.050 2.685 -0.573 1.00 0.00 C ATOM 97 NE ARG A 10 10.045 1.944 0.685 1.00 0.00 N ATOM 98 CZ ARG A 10 10.735 2.315 1.758 1.00 0.00 C ATOM 99 NH1 ARG A 10 11.479 3.412 1.726 1.00 0.00 N ATOM 100 NH2 ARG A 10 10.680 1.588 2.867 1.00 0.00 N ATOM 0 H ARG A 10 9.076 6.195 0.815 1.00 0.00 H new ATOM 0 HA ARG A 10 9.765 7.141 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.765 4.707 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.954 5.146 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.368 4.372 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.253 3.857 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.589 2.078 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.079 2.871 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 10 9.481 1.096 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.523 3.974 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.008 3.694 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.108 0.744 2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.210 1.873 3.691 1.00 0.00 H new ATOM 114 N PRO A 11 7.561 6.572 -3.026 1.00 0.00 N ATOM 115 CA PRO A 11 6.220 6.544 -3.618 1.00 0.00 C ATOM 116 C PRO A 11 5.626 5.140 -3.639 1.00 0.00 C ATOM 117 O PRO A 11 6.347 4.151 -3.765 1.00 0.00 O ATOM 118 CB PRO A 11 6.452 7.048 -5.045 1.00 0.00 C ATOM 119 CG PRO A 11 7.876 6.721 -5.336 1.00 0.00 C ATOM 120 CD PRO A 11 8.605 6.848 -4.026 1.00 0.00 C ATOM 0 HA PRO A 11 5.510 7.145 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.781 6.559 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.269 8.120 -5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.971 5.713 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.289 7.402 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.428 6.137 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.031 7.843 -3.898 1.00 0.00 H new ATOM 128 N PHE A 12 4.305 5.060 -3.514 1.00 0.00 N ATOM 129 CA PHE A 12 3.613 3.776 -3.518 1.00 0.00 C ATOM 130 C PHE A 12 2.312 3.862 -4.312 1.00 0.00 C ATOM 131 O PHE A 12 1.806 4.953 -4.577 1.00 0.00 O ATOM 132 CB PHE A 12 3.321 3.326 -2.086 1.00 0.00 C ATOM 133 CG PHE A 12 4.550 2.923 -1.322 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.254 1.782 -1.669 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.000 3.686 -0.256 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.387 1.409 -0.969 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.131 3.318 0.448 1.00 0.00 C ATOM 138 CZ PHE A 12 6.824 2.178 0.092 1.00 0.00 C ATOM 0 H PHE A 12 3.693 5.869 -3.409 1.00 0.00 H new ATOM 0 HA PHE A 12 4.262 3.043 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.821 4.136 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.627 2.486 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.914 1.176 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.461 4.578 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.929 0.518 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.472 3.922 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.707 1.888 0.642 1.00 0.00 H new ATOM 148 N ARG A 13 1.777 2.704 -4.687 1.00 0.00 N ATOM 149 CA ARG A 13 0.537 2.647 -5.452 1.00 0.00 C ATOM 150 C ARG A 13 -0.556 1.932 -4.662 1.00 0.00 C ATOM 151 O ARG A 13 -0.309 0.902 -4.035 1.00 0.00 O ATOM 152 CB ARG A 13 0.767 1.935 -6.785 1.00 0.00 C ATOM 153 CG ARG A 13 1.197 2.866 -7.907 1.00 0.00 C ATOM 154 CD ARG A 13 -0.001 3.417 -8.664 1.00 0.00 C ATOM 155 NE ARG A 13 0.327 4.638 -9.395 1.00 0.00 N ATOM 156 CZ ARG A 13 -0.402 5.112 -10.399 1.00 0.00 C ATOM 157 NH1 ARG A 13 -1.495 4.472 -10.789 1.00 0.00 N ATOM 158 NH2 ARG A 13 -0.038 6.230 -11.015 1.00 0.00 N ATOM 0 H ARG A 13 2.183 1.793 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 13 0.212 3.669 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.528 1.167 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.151 1.426 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.778 3.690 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.849 2.330 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.366 2.664 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.810 3.621 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 13 1.162 5.155 -9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.778 3.613 -10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.053 4.839 -11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.802 6.726 -10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.598 6.593 -11.786 1.00 0.00 H new ATOM 172 N VAL A 14 -1.763 2.488 -4.697 1.00 0.00 N ATOM 173 CA VAL A 14 -2.894 1.903 -3.986 1.00 0.00 C ATOM 174 C VAL A 14 -4.103 1.756 -4.902 1.00 0.00 C ATOM 175 O VAL A 14 -4.363 2.614 -5.747 1.00 0.00 O ATOM 176 CB VAL A 14 -3.289 2.754 -2.765 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.231 1.979 -1.856 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.050 3.203 -2.005 1.00 0.00 C ATOM 0 H VAL A 14 -1.983 3.342 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.578 0.917 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.812 3.643 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.499 2.596 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.133 1.713 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.737 1.071 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.348 3.803 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.496 2.329 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.417 3.799 -2.662 1.00 0.00 H new ATOM 188 N SER A 15 -4.840 0.664 -4.730 1.00 0.00 N ATOM 189 CA SER A 15 -6.021 0.403 -5.544 1.00 0.00 C ATOM 190 C SER A 15 -7.114 -0.267 -4.717 1.00 0.00 C ATOM 191 O SER A 15 -6.850 -1.197 -3.956 1.00 0.00 O ATOM 192 CB SER A 15 -5.658 -0.481 -6.739 1.00 0.00 C ATOM 193 OG SER A 15 -4.941 0.253 -7.717 1.00 0.00 O ATOM 0 H SER A 15 -4.640 -0.055 -4.034 1.00 0.00 H new ATOM 0 HA SER A 15 -6.398 1.359 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.058 -1.326 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.566 -0.891 -7.181 1.00 0.00 H new ATOM 0 HG SER A 15 -5.487 1.006 -8.026 1.00 0.00 H new ATOM 199 N ASN A 16 -8.344 0.214 -4.872 1.00 0.00 N ATOM 200 CA ASN A 16 -9.478 -0.335 -4.139 1.00 0.00 C ATOM 201 C ASN A 16 -9.793 -1.753 -4.608 1.00 0.00 C ATOM 202 O ASN A 16 -9.151 -2.273 -5.522 1.00 0.00 O ATOM 203 CB ASN A 16 -10.708 0.557 -4.316 1.00 0.00 C ATOM 204 CG ASN A 16 -11.456 0.262 -5.602 1.00 0.00 C ATOM 205 OD1 ASN A 16 -12.617 -0.145 -5.578 1.00 0.00 O ATOM 206 ND2 ASN A 16 -10.791 0.466 -6.733 1.00 0.00 N ATOM 0 H ASN A 16 -8.580 0.983 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.213 -0.370 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.379 0.418 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.399 1.602 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.242 0.284 -7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.829 0.804 -6.705 1.00 0.00 H new ATOM 213 N HIS A 17 -10.785 -2.372 -3.977 1.00 0.00 N ATOM 214 CA HIS A 17 -11.188 -3.729 -4.330 1.00 0.00 C ATOM 215 C HIS A 17 -11.634 -3.802 -5.788 1.00 0.00 C ATOM 216 O HIS A 17 -11.504 -4.840 -6.436 1.00 0.00 O ATOM 217 CB HIS A 17 -12.315 -4.205 -3.415 1.00 0.00 C ATOM 218 CG HIS A 17 -13.591 -3.441 -3.591 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.701 -3.965 -4.223 1.00 0.00 N ATOM 220 CD2 HIS A 17 -13.933 -2.188 -3.213 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.668 -3.065 -4.227 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.228 -1.977 -3.619 1.00 0.00 N ATOM 0 H HIS A 17 -11.325 -1.956 -3.218 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.325 -4.382 -4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.504 -5.262 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.990 -4.120 -2.378 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.304 -1.484 -2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.651 -3.196 -4.654 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.763 -1.121 -3.475 1.00 0.00 H new ATOM 231 N ASP A 18 -12.161 -2.693 -6.295 1.00 0.00 N ATOM 232 CA ASP A 18 -12.628 -2.631 -7.676 1.00 0.00 C ATOM 233 C ASP A 18 -11.451 -2.557 -8.644 1.00 0.00 C ATOM 234 O ASP A 18 -11.636 -2.413 -9.852 1.00 0.00 O ATOM 235 CB ASP A 18 -13.543 -1.422 -7.874 1.00 0.00 C ATOM 236 CG ASP A 18 -14.148 -1.375 -9.262 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.146 -2.420 -9.947 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.625 -0.293 -9.665 1.00 0.00 O ATOM 0 H ASP A 18 -12.276 -1.825 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.191 -3.541 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.342 -1.450 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.976 -0.508 -7.697 1.00 0.00 H new ATOM 243 N ARG A 19 -10.240 -2.656 -8.104 1.00 0.00 N ATOM 244 CA ARG A 19 -9.033 -2.598 -8.920 1.00 0.00 C ATOM 245 C ARG A 19 -9.211 -1.632 -10.087 1.00 0.00 C ATOM 246 O ARG A 19 -8.679 -1.852 -11.175 1.00 0.00 O ATOM 247 CB ARG A 19 -8.680 -3.991 -9.446 1.00 0.00 C ATOM 248 CG ARG A 19 -7.774 -4.781 -8.517 1.00 0.00 C ATOM 249 CD ARG A 19 -7.038 -5.885 -9.263 1.00 0.00 C ATOM 250 NE ARG A 19 -6.061 -5.351 -10.206 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.008 -6.035 -10.640 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.799 -7.274 -10.217 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.163 -5.480 -11.499 1.00 0.00 N ATOM 0 H ARG A 19 -10.069 -2.777 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.218 -2.236 -8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.600 -4.553 -9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.193 -3.891 -10.416 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.052 -4.109 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.367 -5.216 -7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.533 -6.533 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.759 -6.503 -9.799 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.194 -4.400 -10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.447 -7.704 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.990 -7.797 -10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.321 -4.527 -11.827 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.355 -6.006 -11.832 1.00 0.00 H new ATOM 267 N SER A 20 -9.964 -0.561 -9.853 1.00 0.00 N ATOM 268 CA SER A 20 -10.216 0.437 -10.886 1.00 0.00 C ATOM 269 C SER A 20 -9.619 1.786 -10.495 1.00 0.00 C ATOM 270 O SER A 20 -9.204 2.564 -11.352 1.00 0.00 O ATOM 271 CB SER A 20 -11.720 0.582 -11.127 1.00 0.00 C ATOM 272 OG SER A 20 -11.978 1.402 -12.253 1.00 0.00 O ATOM 0 H SER A 20 -10.410 -0.363 -8.957 1.00 0.00 H new ATOM 0 HA SER A 20 -9.738 0.101 -11.806 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.164 -0.402 -11.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.193 1.011 -10.244 1.00 0.00 H new ATOM 0 HG SER A 20 -12.946 1.478 -12.387 1.00 0.00 H new ATOM 278 N SER A 21 -9.580 2.053 -9.193 1.00 0.00 N ATOM 279 CA SER A 21 -9.037 3.309 -8.688 1.00 0.00 C ATOM 280 C SER A 21 -7.538 3.189 -8.432 1.00 0.00 C ATOM 281 O SER A 21 -7.042 2.121 -8.073 1.00 0.00 O ATOM 282 CB SER A 21 -9.755 3.718 -7.400 1.00 0.00 C ATOM 283 OG SER A 21 -11.094 4.099 -7.662 1.00 0.00 O ATOM 0 H SER A 21 -9.917 1.418 -8.470 1.00 0.00 H new ATOM 0 HA SER A 21 -9.198 4.077 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.741 2.888 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.223 4.546 -6.931 1.00 0.00 H new ATOM 0 HG SER A 21 -11.532 4.354 -6.823 1.00 0.00 H new ATOM 289 N ARG A 22 -6.822 4.294 -8.620 1.00 0.00 N ATOM 290 CA ARG A 22 -5.379 4.313 -8.410 1.00 0.00 C ATOM 291 C ARG A 22 -4.956 5.570 -7.657 1.00 0.00 C ATOM 292 O ARG A 22 -5.081 6.684 -8.167 1.00 0.00 O ATOM 293 CB ARG A 22 -4.647 4.238 -9.752 1.00 0.00 C ATOM 294 CG ARG A 22 -4.678 2.858 -10.386 1.00 0.00 C ATOM 295 CD ARG A 22 -4.144 2.887 -11.810 1.00 0.00 C ATOM 296 NE ARG A 22 -4.286 1.595 -12.475 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.457 1.073 -12.823 1.00 0.00 C ATOM 298 NH1 ARG A 22 -6.580 1.728 -12.571 1.00 0.00 N ATOM 299 NH2 ARG A 22 -5.504 -0.110 -13.425 1.00 0.00 N ATOM 0 H ARG A 22 -7.217 5.186 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.112 3.444 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.094 4.955 -10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.609 4.539 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.084 2.168 -9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.700 2.480 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.675 3.649 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.093 3.174 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.440 1.064 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.548 2.636 -12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.477 1.324 -12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.641 -0.618 -13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.403 -0.511 -13.692 1.00 0.00 H new ATOM 313 N ARG A 23 -4.456 5.384 -6.440 1.00 0.00 N ATOM 314 CA ARG A 23 -4.016 6.503 -5.615 1.00 0.00 C ATOM 315 C ARG A 23 -2.550 6.347 -5.222 1.00 0.00 C ATOM 316 O ARG A 23 -2.168 5.361 -4.595 1.00 0.00 O ATOM 317 CB ARG A 23 -4.882 6.612 -4.359 1.00 0.00 C ATOM 318 CG ARG A 23 -5.037 8.033 -3.845 1.00 0.00 C ATOM 319 CD ARG A 23 -3.784 8.502 -3.120 1.00 0.00 C ATOM 320 NE ARG A 23 -2.840 9.151 -4.026 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.928 10.425 -4.391 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.914 11.183 -3.930 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.029 10.944 -5.217 1.00 0.00 N ATOM 0 H ARG A 23 -4.345 4.469 -6.003 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.122 7.416 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.869 6.203 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.445 5.996 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.248 8.702 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.891 8.086 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.062 9.197 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.301 7.650 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.071 8.595 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.606 10.788 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.980 12.161 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.269 10.364 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.098 11.923 -5.496 1.00 0.00 H new ATOM 337 N GLY A 24 -1.734 7.327 -5.598 1.00 0.00 N ATOM 338 CA GLY A 24 -0.319 7.278 -5.277 1.00 0.00 C ATOM 339 C GLY A 24 -0.004 7.924 -3.943 1.00 0.00 C ATOM 340 O GLY A 24 -0.402 9.061 -3.686 1.00 0.00 O ATOM 0 H GLY A 24 -2.027 8.154 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.011 6.239 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.246 7.780 -6.063 1.00 0.00 H new ATOM 344 N VAL A 25 0.710 7.198 -3.089 1.00 0.00 N ATOM 345 CA VAL A 25 1.078 7.707 -1.774 1.00 0.00 C ATOM 346 C VAL A 25 2.543 7.420 -1.463 1.00 0.00 C ATOM 347 O VAL A 25 3.075 6.377 -1.838 1.00 0.00 O ATOM 348 CB VAL A 25 0.200 7.090 -0.668 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.433 7.799 0.657 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.269 7.147 -1.061 1.00 0.00 C ATOM 0 H VAL A 25 1.045 6.255 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 25 0.919 8.785 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 25 0.481 6.044 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.196 7.349 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.481 7.702 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.181 8.855 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.875 6.707 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.566 8.185 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.420 6.590 -1.985 1.00 0.00 H new ATOM 360 N MET A 26 3.189 8.356 -0.773 1.00 0.00 N ATOM 361 CA MET A 26 4.593 8.203 -0.410 1.00 0.00 C ATOM 362 C MET A 26 4.758 8.135 1.104 1.00 0.00 C ATOM 363 O MET A 26 4.202 8.953 1.836 1.00 0.00 O ATOM 364 CB MET A 26 5.416 9.363 -0.973 1.00 0.00 C ATOM 365 CG MET A 26 5.171 10.683 -0.261 1.00 0.00 C ATOM 366 SD MET A 26 6.279 11.991 -0.822 1.00 0.00 S ATOM 367 CE MET A 26 7.845 11.121 -0.842 1.00 0.00 C ATOM 0 H MET A 26 2.763 9.226 -0.455 1.00 0.00 H new ATOM 0 HA MET A 26 4.954 7.269 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.475 9.114 -0.904 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.185 9.482 -2.031 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.138 10.993 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.297 10.541 0.812 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.644 11.803 -0.551 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.807 10.287 -0.141 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.038 10.743 -1.846 1.00 0.00 H new ATOM 377 N ALA A 27 5.526 7.154 1.568 1.00 0.00 N ATOM 378 CA ALA A 27 5.766 6.980 2.995 1.00 0.00 C ATOM 379 C ALA A 27 7.165 6.434 3.254 1.00 0.00 C ATOM 380 O ALA A 27 7.891 6.091 2.322 1.00 0.00 O ATOM 381 CB ALA A 27 4.716 6.058 3.598 1.00 0.00 C ATOM 0 H ALA A 27 5.993 6.467 0.975 1.00 0.00 H new ATOM 0 HA ALA A 27 5.693 7.957 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.907 5.937 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.726 6.491 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.762 5.085 3.108 1.00 0.00 H new ATOM 387 N SER A 28 7.539 6.356 4.528 1.00 0.00 N ATOM 388 CA SER A 28 8.854 5.854 4.909 1.00 0.00 C ATOM 389 C SER A 28 8.761 4.422 5.425 1.00 0.00 C ATOM 390 O SER A 28 9.759 3.703 5.478 1.00 0.00 O ATOM 391 CB SER A 28 9.475 6.755 5.980 1.00 0.00 C ATOM 392 OG SER A 28 10.709 6.227 6.437 1.00 0.00 O ATOM 0 H SER A 28 6.950 6.634 5.313 1.00 0.00 H new ATOM 0 HA SER A 28 9.489 5.861 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.631 7.754 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.786 6.856 6.819 1.00 0.00 H new ATOM 0 HG SER A 28 11.086 6.821 7.119 1.00 0.00 H new ATOM 398 N SER A 29 7.554 4.013 5.805 1.00 0.00 N ATOM 399 CA SER A 29 7.329 2.668 6.321 1.00 0.00 C ATOM 400 C SER A 29 5.970 2.136 5.878 1.00 0.00 C ATOM 401 O SER A 29 5.192 2.844 5.235 1.00 0.00 O ATOM 402 CB SER A 29 7.420 2.663 7.848 1.00 0.00 C ATOM 403 OG SER A 29 7.020 3.912 8.386 1.00 0.00 O ATOM 0 H SER A 29 6.717 4.594 5.765 1.00 0.00 H new ATOM 0 HA SER A 29 8.103 2.016 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.789 1.871 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.443 2.442 8.154 1.00 0.00 H new ATOM 0 HG SER A 29 7.085 3.883 9.363 1.00 0.00 H new ATOM 409 N LEU A 30 5.688 0.886 6.227 1.00 0.00 N ATOM 410 CA LEU A 30 4.423 0.258 5.865 1.00 0.00 C ATOM 411 C LEU A 30 3.274 0.839 6.683 1.00 0.00 C ATOM 412 O LEU A 30 2.162 1.003 6.180 1.00 0.00 O ATOM 413 CB LEU A 30 4.502 -1.255 6.081 1.00 0.00 C ATOM 414 CG LEU A 30 3.180 -1.959 6.393 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.332 -2.082 5.137 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.437 -3.329 7.003 1.00 0.00 C ATOM 0 H LEU A 30 6.319 0.287 6.760 1.00 0.00 H new ATOM 0 HA LEU A 30 4.234 0.460 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.929 -1.708 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.196 -1.449 6.899 1.00 0.00 H new ATOM 0 HG LEU A 30 2.632 -1.358 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.396 -2.585 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.119 -1.088 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.873 -2.661 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.486 -3.816 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.006 -3.939 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.004 -3.215 7.927 1.00 0.00 H new ATOM 428 N GLN A 31 3.550 1.152 7.945 1.00 0.00 N ATOM 429 CA GLN A 31 2.540 1.717 8.831 1.00 0.00 C ATOM 430 C GLN A 31 2.143 3.118 8.380 1.00 0.00 C ATOM 431 O GLN A 31 0.962 3.409 8.192 1.00 0.00 O ATOM 432 CB GLN A 31 3.058 1.759 10.269 1.00 0.00 C ATOM 433 CG GLN A 31 1.994 2.132 11.289 1.00 0.00 C ATOM 434 CD GLN A 31 1.207 0.932 11.776 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.697 0.137 12.577 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.023 0.795 11.294 1.00 0.00 N ATOM 0 H GLN A 31 4.465 1.024 8.377 1.00 0.00 H new ATOM 0 HA GLN A 31 1.658 1.078 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.470 0.783 10.526 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.876 2.477 10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.468 2.621 12.140 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.309 2.855 10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.390 1.478 10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.601 0.007 11.587 1.00 0.00 H new ATOM 445 N GLU A 32 3.137 3.984 8.209 1.00 0.00 N ATOM 446 CA GLU A 32 2.891 5.356 7.780 1.00 0.00 C ATOM 447 C GLU A 32 2.007 5.387 6.536 1.00 0.00 C ATOM 448 O GLU A 32 1.102 6.214 6.425 1.00 0.00 O ATOM 449 CB GLU A 32 4.214 6.071 7.499 1.00 0.00 C ATOM 450 CG GLU A 32 4.042 7.446 6.876 1.00 0.00 C ATOM 451 CD GLU A 32 5.228 8.356 7.133 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.194 8.305 6.343 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.189 9.118 8.121 1.00 0.00 O ATOM 0 H GLU A 32 4.120 3.760 8.361 1.00 0.00 H new ATOM 0 HA GLU A 32 2.371 5.874 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.769 6.171 8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.817 5.453 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.898 7.338 5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.140 7.911 7.274 1.00 0.00 H new ATOM 460 N LEU A 33 2.279 4.482 5.603 1.00 0.00 N ATOM 461 CA LEU A 33 1.510 4.404 4.366 1.00 0.00 C ATOM 462 C LEU A 33 0.049 4.070 4.653 1.00 0.00 C ATOM 463 O LEU A 33 -0.841 4.889 4.422 1.00 0.00 O ATOM 464 CB LEU A 33 2.111 3.353 3.433 1.00 0.00 C ATOM 465 CG LEU A 33 1.304 3.030 2.175 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.332 4.204 1.208 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.839 1.772 1.506 1.00 0.00 C ATOM 0 H LEU A 33 3.026 3.792 5.679 1.00 0.00 H new ATOM 0 HA LEU A 33 1.552 5.379 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.101 3.691 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.249 2.431 3.998 1.00 0.00 H new ATOM 0 HG LEU A 33 0.269 2.850 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.753 3.957 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.901 5.082 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.362 4.416 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.253 1.558 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.882 1.923 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.766 0.933 2.198 1.00 0.00 H new ATOM 479 N ILE A 34 -0.188 2.865 5.157 1.00 0.00 N ATOM 480 CA ILE A 34 -1.540 2.424 5.478 1.00 0.00 C ATOM 481 C ILE A 34 -2.386 3.581 6.000 1.00 0.00 C ATOM 482 O ILE A 34 -3.321 4.030 5.336 1.00 0.00 O ATOM 483 CB ILE A 34 -1.531 1.297 6.527 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.869 0.042 5.953 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.948 0.991 6.989 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.291 -0.874 7.010 1.00 0.00 C ATOM 0 H ILE A 34 0.538 2.176 5.352 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.976 2.045 4.553 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.953 1.628 7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.603 -0.511 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.075 0.341 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.924 0.192 7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.387 1.885 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.549 0.677 6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.162 -1.742 6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.467 -0.338 7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.085 -1.202 7.681 1.00 0.00 H new ATOM 498 N SER A 35 -2.050 4.063 7.193 1.00 0.00 N ATOM 499 CA SER A 35 -2.780 5.167 7.805 1.00 0.00 C ATOM 500 C SER A 35 -3.133 6.226 6.766 1.00 0.00 C ATOM 501 O SER A 35 -4.289 6.634 6.647 1.00 0.00 O ATOM 502 CB SER A 35 -1.950 5.793 8.928 1.00 0.00 C ATOM 503 OG SER A 35 -2.465 7.061 9.296 1.00 0.00 O ATOM 0 H SER A 35 -1.277 3.706 7.755 1.00 0.00 H new ATOM 0 HA SER A 35 -3.706 4.772 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.948 5.132 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.914 5.897 8.604 1.00 0.00 H new ATOM 0 HG SER A 35 -1.919 7.440 10.016 1.00 0.00 H new ATOM 509 N LYS A 36 -2.129 6.668 6.016 1.00 0.00 N ATOM 510 CA LYS A 36 -2.332 7.679 4.986 1.00 0.00 C ATOM 511 C LYS A 36 -3.364 7.215 3.962 1.00 0.00 C ATOM 512 O LYS A 36 -4.324 7.926 3.667 1.00 0.00 O ATOM 513 CB LYS A 36 -1.009 7.995 4.285 1.00 0.00 C ATOM 514 CG LYS A 36 -0.212 9.099 4.957 1.00 0.00 C ATOM 515 CD LYS A 36 0.983 9.516 4.118 1.00 0.00 C ATOM 516 CE LYS A 36 2.218 8.698 4.462 1.00 0.00 C ATOM 517 NZ LYS A 36 3.473 9.471 4.250 1.00 0.00 N ATOM 0 H LYS A 36 -1.167 6.342 6.103 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.706 8.582 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.402 7.091 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.214 8.283 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.856 9.962 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.130 8.758 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.747 9.394 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.190 10.574 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.162 8.375 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.239 7.797 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.262 8.988 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.671 9.539 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.363 10.427 4.646 1.00 0.00 H new ATOM 531 N THR A 37 -3.159 6.016 3.425 1.00 0.00 N ATOM 532 CA THR A 37 -4.071 5.456 2.436 1.00 0.00 C ATOM 533 C THR A 37 -5.519 5.801 2.765 1.00 0.00 C ATOM 534 O THR A 37 -6.247 6.335 1.927 1.00 0.00 O ATOM 535 CB THR A 37 -3.928 3.926 2.342 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.557 3.573 2.124 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.786 3.369 1.216 1.00 0.00 C ATOM 0 H THR A 37 -2.369 5.414 3.659 1.00 0.00 H new ATOM 0 HA THR A 37 -3.805 5.898 1.476 1.00 0.00 H new ATOM 0 HB THR A 37 -4.268 3.494 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.078 3.580 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.668 2.286 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.832 3.612 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.474 3.809 0.269 1.00 0.00 H new ATOM 545 N LEU A 38 -5.931 5.494 3.990 1.00 0.00 N ATOM 546 CA LEU A 38 -7.294 5.772 4.431 1.00 0.00 C ATOM 547 C LEU A 38 -7.655 7.236 4.194 1.00 0.00 C ATOM 548 O LEU A 38 -8.776 7.552 3.799 1.00 0.00 O ATOM 549 CB LEU A 38 -7.451 5.430 5.913 1.00 0.00 C ATOM 550 CG LEU A 38 -7.572 3.944 6.250 1.00 0.00 C ATOM 551 CD1 LEU A 38 -7.131 3.682 7.681 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.999 3.462 6.032 1.00 0.00 C ATOM 0 H LEU A 38 -5.341 5.053 4.696 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.973 5.150 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.594 5.835 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.336 5.941 6.291 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.915 3.386 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.225 2.619 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.092 3.988 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.760 4.251 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.066 2.402 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.676 4.026 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.278 3.612 4.989 1.00 0.00 H new ATOM 564 N ASP A 39 -6.696 8.122 4.436 1.00 0.00 N ATOM 565 CA ASP A 39 -6.910 9.553 4.246 1.00 0.00 C ATOM 566 C ASP A 39 -6.961 9.902 2.762 1.00 0.00 C ATOM 567 O ASP A 39 -7.880 10.581 2.305 1.00 0.00 O ATOM 568 CB ASP A 39 -5.803 10.352 4.934 1.00 0.00 C ATOM 569 CG ASP A 39 -6.230 11.769 5.261 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.413 11.967 5.609 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.381 12.680 5.169 1.00 0.00 O ATOM 0 H ASP A 39 -5.762 7.875 4.764 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.868 9.815 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.509 9.843 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.925 10.380 4.289 1.00 0.00 H new ATOM 576 N ALA A 40 -5.966 9.433 2.015 1.00 0.00 N ATOM 577 CA ALA A 40 -5.898 9.695 0.582 1.00 0.00 C ATOM 578 C ALA A 40 -7.183 9.264 -0.116 1.00 0.00 C ATOM 579 O ALA A 40 -7.825 10.059 -0.804 1.00 0.00 O ATOM 580 CB ALA A 40 -4.699 8.985 -0.028 1.00 0.00 C ATOM 0 H ALA A 40 -5.197 8.870 2.378 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.781 10.769 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.661 9.189 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.784 9.345 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.791 7.911 0.133 1.00 0.00 H new ATOM 586 N LEU A 41 -7.552 8.000 0.062 1.00 0.00 N ATOM 587 CA LEU A 41 -8.761 7.462 -0.552 1.00 0.00 C ATOM 588 C LEU A 41 -10.010 8.021 0.122 1.00 0.00 C ATOM 589 O LEU A 41 -11.123 7.860 -0.378 1.00 0.00 O ATOM 590 CB LEU A 41 -8.763 5.935 -0.469 1.00 0.00 C ATOM 591 CG LEU A 41 -8.069 5.199 -1.616 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.700 3.785 -1.197 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.958 5.177 -2.850 1.00 0.00 C ATOM 0 H LEU A 41 -7.031 7.329 0.626 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.771 7.763 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.286 5.641 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.797 5.595 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.152 5.733 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.207 3.277 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.025 3.823 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.603 3.240 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.448 4.649 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.892 4.667 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.171 6.199 -3.163 1.00 0.00 H new ATOM 605 N VAL A 42 -9.817 8.681 1.260 1.00 0.00 N ATOM 606 CA VAL A 42 -10.926 9.267 2.001 1.00 0.00 C ATOM 607 C VAL A 42 -11.987 8.220 2.324 1.00 0.00 C ATOM 608 O VAL A 42 -13.175 8.430 2.081 1.00 0.00 O ATOM 609 CB VAL A 42 -11.581 10.419 1.216 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.426 11.283 2.139 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.521 11.254 0.514 1.00 0.00 C ATOM 0 H VAL A 42 -8.902 8.823 1.688 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.512 9.659 2.930 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.237 9.992 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.880 12.091 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.209 10.674 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.795 11.704 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.001 12.064 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.839 11.672 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.963 10.625 -0.180 1.00 0.00 H new ATOM 621 N ILE A 43 -11.549 7.091 2.871 1.00 0.00 N ATOM 622 CA ILE A 43 -12.460 6.011 3.227 1.00 0.00 C ATOM 623 C ILE A 43 -13.355 6.410 4.397 1.00 0.00 C ATOM 624 O ILE A 43 -12.970 7.223 5.236 1.00 0.00 O ATOM 625 CB ILE A 43 -11.695 4.726 3.596 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.820 4.275 2.425 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.667 3.627 3.993 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.870 3.151 2.778 1.00 0.00 C ATOM 0 H ILE A 43 -10.568 6.901 3.077 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.077 5.817 2.349 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.049 4.936 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.462 3.953 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.244 5.127 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.111 2.725 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.251 3.952 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.336 3.415 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.282 2.883 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.203 3.476 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.440 2.284 3.111 1.00 0.00 H new ATOM 640 N ALA A 44 -14.550 5.831 4.445 1.00 0.00 N ATOM 641 CA ALA A 44 -15.498 6.123 5.514 1.00 0.00 C ATOM 642 C ALA A 44 -15.079 5.451 6.817 1.00 0.00 C ATOM 643 O ALA A 44 -14.991 6.098 7.861 1.00 0.00 O ATOM 644 CB ALA A 44 -16.896 5.677 5.113 1.00 0.00 C ATOM 0 H ALA A 44 -14.885 5.157 3.756 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.505 7.201 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.594 5.900 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.202 6.206 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.895 4.604 4.921 1.00 0.00 H new ATOM 650 N THR A 45 -14.821 4.149 6.750 1.00 0.00 N ATOM 651 CA THR A 45 -14.414 3.389 7.925 1.00 0.00 C ATOM 652 C THR A 45 -12.894 3.313 8.032 1.00 0.00 C ATOM 653 O THR A 45 -12.191 3.320 7.022 1.00 0.00 O ATOM 654 CB THR A 45 -14.986 1.960 7.897 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.550 1.234 9.051 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.552 1.227 6.636 1.00 0.00 C ATOM 0 H THR A 45 -14.887 3.599 5.894 1.00 0.00 H new ATOM 0 HA THR A 45 -14.812 3.915 8.793 1.00 0.00 H new ATOM 0 HB THR A 45 -16.074 2.029 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.920 0.327 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.968 0.220 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.912 1.766 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.464 1.170 6.605 1.00 0.00 H new ATOM 664 N GLY A 46 -12.394 3.240 9.261 1.00 0.00 N ATOM 665 CA GLY A 46 -10.961 3.163 9.476 1.00 0.00 C ATOM 666 C GLY A 46 -10.438 1.743 9.394 1.00 0.00 C ATOM 667 O GLY A 46 -9.295 1.516 8.994 1.00 0.00 O ATOM 0 H GLY A 46 -12.956 3.233 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.452 3.778 8.734 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.721 3.580 10.454 1.00 0.00 H new ATOM 671 N LEU A 47 -11.274 0.783 9.773 1.00 0.00 N ATOM 672 CA LEU A 47 -10.889 -0.623 9.742 1.00 0.00 C ATOM 673 C LEU A 47 -10.663 -1.095 8.309 1.00 0.00 C ATOM 674 O LEU A 47 -11.603 -1.191 7.520 1.00 0.00 O ATOM 675 CB LEU A 47 -11.966 -1.482 10.409 1.00 0.00 C ATOM 676 CG LEU A 47 -11.535 -2.886 10.836 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.020 -3.672 9.641 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.475 -2.811 11.925 1.00 0.00 C ATOM 0 H LEU A 47 -12.223 0.953 10.105 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.954 -0.730 10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.332 -0.952 11.289 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.806 -1.575 9.721 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.404 -3.405 11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.718 -4.668 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.809 -3.756 8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.163 -3.156 9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.181 -3.819 12.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.605 -2.273 11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.879 -2.287 12.791 1.00 0.00 H new ATOM 690 N VAL A 48 -9.409 -1.389 7.979 1.00 0.00 N ATOM 691 CA VAL A 48 -9.059 -1.853 6.642 1.00 0.00 C ATOM 692 C VAL A 48 -7.799 -2.711 6.671 1.00 0.00 C ATOM 693 O VAL A 48 -7.040 -2.688 7.640 1.00 0.00 O ATOM 694 CB VAL A 48 -8.843 -0.672 5.677 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.111 0.157 5.553 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.676 0.187 6.141 1.00 0.00 C ATOM 0 H VAL A 48 -8.619 -1.314 8.620 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.895 -2.454 6.286 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.602 -1.070 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.938 0.986 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.918 -0.468 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.387 0.548 6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.537 1.017 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.885 0.577 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.769 -0.417 6.171 1.00 0.00 H new ATOM 706 N THR A 49 -7.580 -3.466 5.599 1.00 0.00 N ATOM 707 CA THR A 49 -6.412 -4.332 5.501 1.00 0.00 C ATOM 708 C THR A 49 -5.653 -4.087 4.202 1.00 0.00 C ATOM 709 O THR A 49 -6.232 -4.127 3.114 1.00 0.00 O ATOM 710 CB THR A 49 -6.807 -5.819 5.578 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.463 -6.087 6.822 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.582 -6.712 5.443 1.00 0.00 C ATOM 0 H THR A 49 -8.196 -3.495 4.787 1.00 0.00 H new ATOM 0 HA THR A 49 -5.768 -4.090 6.346 1.00 0.00 H new ATOM 0 HB THR A 49 -7.487 -6.035 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.713 -7.034 6.863 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.886 -7.757 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.100 -6.526 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.881 -6.493 6.249 1.00 0.00 H new ATOM 720 N LEU A 50 -4.355 -3.833 4.319 1.00 0.00 N ATOM 721 CA LEU A 50 -3.515 -3.581 3.153 1.00 0.00 C ATOM 722 C LEU A 50 -2.869 -4.871 2.658 1.00 0.00 C ATOM 723 O LEU A 50 -2.288 -5.626 3.438 1.00 0.00 O ATOM 724 CB LEU A 50 -2.435 -2.553 3.490 1.00 0.00 C ATOM 725 CG LEU A 50 -1.773 -1.860 2.298 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.733 -0.870 1.656 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.493 -1.160 2.732 1.00 0.00 C ATOM 0 H LEU A 50 -3.860 -3.796 5.210 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.148 -3.186 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.876 -1.789 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.659 -3.049 4.073 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.516 -2.618 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.245 -0.386 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.622 -1.397 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.021 -0.116 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.035 -0.672 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.726 -0.413 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.200 -1.893 3.145 1.00 0.00 H new ATOM 739 N VAL A 51 -2.975 -5.119 1.356 1.00 0.00 N ATOM 740 CA VAL A 51 -2.398 -6.316 0.757 1.00 0.00 C ATOM 741 C VAL A 51 -1.699 -5.990 -0.560 1.00 0.00 C ATOM 742 O VAL A 51 -1.767 -4.861 -1.048 1.00 0.00 O ATOM 743 CB VAL A 51 -3.472 -7.390 0.502 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.366 -7.550 1.723 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.294 -7.039 -0.729 1.00 0.00 C ATOM 0 H VAL A 51 -3.455 -4.507 0.696 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.668 -6.704 1.467 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.974 -8.342 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.119 -8.313 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.762 -7.850 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.858 -6.602 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.048 -7.808 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.784 -6.077 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.640 -6.979 -1.599 1.00 0.00 H new ATOM 755 N LEU A 52 -1.031 -6.985 -1.130 1.00 0.00 N ATOM 756 CA LEU A 52 -0.319 -6.805 -2.390 1.00 0.00 C ATOM 757 C LEU A 52 -1.273 -6.920 -3.575 1.00 0.00 C ATOM 758 O LEU A 52 -2.135 -7.797 -3.606 1.00 0.00 O ATOM 759 CB LEU A 52 0.800 -7.840 -2.520 1.00 0.00 C ATOM 760 CG LEU A 52 1.943 -7.724 -1.511 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.833 -8.955 -1.568 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.755 -6.464 -1.769 1.00 0.00 C ATOM 0 H LEU A 52 -0.967 -7.925 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 52 0.117 -5.806 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.361 -8.833 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.219 -7.768 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 52 1.514 -7.658 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.641 -8.854 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.244 -9.841 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.254 -9.054 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.564 -6.397 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.173 -6.500 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.110 -5.590 -1.675 1.00 0.00 H new ATOM 774 N GLU A 53 -1.110 -6.028 -4.548 1.00 0.00 N ATOM 775 CA GLU A 53 -1.957 -6.032 -5.735 1.00 0.00 C ATOM 776 C GLU A 53 -1.471 -7.064 -6.747 1.00 0.00 C ATOM 777 O GLU A 53 -1.858 -7.034 -7.915 1.00 0.00 O ATOM 778 CB GLU A 53 -1.978 -4.643 -6.377 1.00 0.00 C ATOM 779 CG GLU A 53 -3.133 -4.436 -7.343 1.00 0.00 C ATOM 780 CD GLU A 53 -4.485 -4.552 -6.670 1.00 0.00 C ATOM 781 OE1 GLU A 53 -4.877 -5.683 -6.315 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.153 -3.511 -6.497 1.00 0.00 O ATOM 0 H GLU A 53 -0.401 -5.295 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.968 -6.299 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.033 -3.890 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.039 -4.483 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.044 -3.452 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.067 -5.171 -8.145 1.00 0.00 H new ATOM 789 N GLU A 54 -0.619 -7.978 -6.290 1.00 0.00 N ATOM 790 CA GLU A 54 -0.079 -9.018 -7.156 1.00 0.00 C ATOM 791 C GLU A 54 -0.702 -10.374 -6.832 1.00 0.00 C ATOM 792 O GLU A 54 -1.200 -11.068 -7.718 1.00 0.00 O ATOM 793 CB GLU A 54 1.441 -9.097 -7.011 1.00 0.00 C ATOM 794 CG GLU A 54 1.897 -9.791 -5.739 1.00 0.00 C ATOM 795 CD GLU A 54 3.403 -9.764 -5.565 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.052 -8.875 -6.157 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.934 -10.631 -4.840 1.00 0.00 O ATOM 0 H GLU A 54 -0.289 -8.018 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.325 -8.760 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.852 -9.626 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.852 -8.088 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.428 -9.311 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.555 -10.826 -5.752 1.00 0.00 H new ATOM 804 N ASP A 55 -0.670 -10.743 -5.556 1.00 0.00 N ATOM 805 CA ASP A 55 -1.231 -12.014 -5.113 1.00 0.00 C ATOM 806 C ASP A 55 -2.265 -11.797 -4.013 1.00 0.00 C ATOM 807 O ASP A 55 -3.074 -12.677 -3.726 1.00 0.00 O ATOM 808 CB ASP A 55 -0.120 -12.938 -4.611 1.00 0.00 C ATOM 809 CG ASP A 55 -0.650 -14.284 -4.155 1.00 0.00 C ATOM 810 OD1 ASP A 55 -1.451 -14.890 -4.897 1.00 0.00 O ATOM 811 OD2 ASP A 55 -0.262 -14.730 -3.055 1.00 0.00 O ATOM 0 H ASP A 55 -0.261 -10.180 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.725 -12.482 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.611 -13.088 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.403 -12.457 -3.784 1.00 0.00 H new ATOM 816 N GLY A 56 -2.231 -10.618 -3.399 1.00 0.00 N ATOM 817 CA GLY A 56 -3.169 -10.308 -2.336 1.00 0.00 C ATOM 818 C GLY A 56 -2.620 -10.639 -0.963 1.00 0.00 C ATOM 819 O GLY A 56 -3.378 -10.831 -0.012 1.00 0.00 O ATOM 0 H GLY A 56 -1.571 -9.872 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.422 -9.249 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.093 -10.863 -2.498 1.00 0.00 H new ATOM 823 N THR A 57 -1.297 -10.707 -0.857 1.00 0.00 N ATOM 824 CA THR A 57 -0.647 -11.020 0.409 1.00 0.00 C ATOM 825 C THR A 57 -0.656 -9.817 1.345 1.00 0.00 C ATOM 826 O THR A 57 -0.073 -8.776 1.039 1.00 0.00 O ATOM 827 CB THR A 57 0.809 -11.479 0.195 1.00 0.00 C ATOM 828 OG1 THR A 57 0.831 -12.746 -0.471 1.00 0.00 O ATOM 829 CG2 THR A 57 1.544 -11.585 1.523 1.00 0.00 C ATOM 0 H THR A 57 -0.654 -10.549 -1.633 1.00 0.00 H new ATOM 0 HA THR A 57 -1.214 -11.833 0.862 1.00 0.00 H new ATOM 0 HB THR A 57 1.313 -10.736 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.760 -13.029 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.569 -11.910 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.552 -10.612 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.038 -12.309 2.162 1.00 0.00 H new ATOM 837 N VAL A 58 -1.320 -9.966 2.487 1.00 0.00 N ATOM 838 CA VAL A 58 -1.404 -8.891 3.468 1.00 0.00 C ATOM 839 C VAL A 58 -0.027 -8.547 4.024 1.00 0.00 C ATOM 840 O VAL A 58 0.712 -9.424 4.471 1.00 0.00 O ATOM 841 CB VAL A 58 -2.336 -9.267 4.633 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.899 -10.578 5.266 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.371 -8.152 5.668 1.00 0.00 C ATOM 0 H VAL A 58 -1.807 -10.821 2.755 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.812 -8.022 2.952 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.344 -9.400 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.570 -10.827 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.930 -11.371 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.882 -10.478 5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.035 -8.435 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.367 -7.986 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.736 -7.236 5.204 1.00 0.00 H new ATOM 853 N VAL A 59 0.313 -7.261 3.994 1.00 0.00 N ATOM 854 CA VAL A 59 1.602 -6.799 4.498 1.00 0.00 C ATOM 855 C VAL A 59 1.476 -6.260 5.918 1.00 0.00 C ATOM 856 O VAL A 59 0.968 -5.159 6.132 1.00 0.00 O ATOM 857 CB VAL A 59 2.196 -5.702 3.594 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.623 -5.383 4.010 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.140 -6.126 2.134 1.00 0.00 C ATOM 0 H VAL A 59 -0.286 -6.522 3.626 1.00 0.00 H new ATOM 0 HA VAL A 59 2.270 -7.661 4.499 1.00 0.00 H new ATOM 0 HB VAL A 59 1.598 -4.798 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.026 -4.606 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.631 -5.033 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.236 -6.281 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.564 -5.339 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.713 -7.044 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.103 -6.299 1.845 1.00 0.00 H new ATOM 869 N ASP A 60 1.941 -7.042 6.885 1.00 0.00 N ATOM 870 CA ASP A 60 1.883 -6.643 8.287 1.00 0.00 C ATOM 871 C ASP A 60 3.283 -6.414 8.845 1.00 0.00 C ATOM 872 O ASP A 60 3.445 -5.959 9.978 1.00 0.00 O ATOM 873 CB ASP A 60 1.157 -7.707 9.112 1.00 0.00 C ATOM 874 CG ASP A 60 1.910 -9.023 9.149 1.00 0.00 C ATOM 875 OD1 ASP A 60 2.781 -9.184 10.029 1.00 0.00 O ATOM 876 OD2 ASP A 60 1.628 -9.891 8.297 1.00 0.00 O ATOM 0 H ASP A 60 2.363 -7.957 6.724 1.00 0.00 H new ATOM 0 HA ASP A 60 1.330 -5.706 8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.019 -7.342 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.164 -7.871 8.694 1.00 0.00 H new ATOM 881 N THR A 61 4.295 -6.734 8.044 1.00 0.00 N ATOM 882 CA THR A 61 5.682 -6.566 8.459 1.00 0.00 C ATOM 883 C THR A 61 6.362 -5.458 7.664 1.00 0.00 C ATOM 884 O THR A 61 6.070 -5.257 6.486 1.00 0.00 O ATOM 885 CB THR A 61 6.482 -7.871 8.286 1.00 0.00 C ATOM 886 OG1 THR A 61 6.045 -8.562 7.111 1.00 0.00 O ATOM 887 CG2 THR A 61 6.316 -8.772 9.501 1.00 0.00 C ATOM 0 H THR A 61 4.179 -7.111 7.103 1.00 0.00 H new ATOM 0 HA THR A 61 5.666 -6.296 9.515 1.00 0.00 H new ATOM 0 HB THR A 61 7.536 -7.614 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.560 -9.389 7.008 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.890 -9.687 9.356 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.677 -8.254 10.390 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.262 -9.021 9.628 1.00 0.00 H new ATOM 895 N GLU A 62 7.272 -4.741 8.317 1.00 0.00 N ATOM 896 CA GLU A 62 7.995 -3.653 7.670 1.00 0.00 C ATOM 897 C GLU A 62 9.131 -4.193 6.805 1.00 0.00 C ATOM 898 O GLU A 62 9.442 -3.635 5.753 1.00 0.00 O ATOM 899 CB GLU A 62 8.551 -2.686 8.717 1.00 0.00 C ATOM 900 CG GLU A 62 8.941 -1.331 8.149 1.00 0.00 C ATOM 901 CD GLU A 62 9.280 -0.322 9.228 1.00 0.00 C ATOM 902 OE1 GLU A 62 8.351 0.134 9.929 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.473 0.013 9.374 1.00 0.00 O ATOM 0 H GLU A 62 7.525 -4.894 9.293 1.00 0.00 H new ATOM 0 HA GLU A 62 7.296 -3.118 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.805 -2.542 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.424 -3.137 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.799 -1.452 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.122 -0.946 7.542 1.00 0.00 H new ATOM 910 N GLU A 63 9.748 -5.279 7.259 1.00 0.00 N ATOM 911 CA GLU A 63 10.851 -5.892 6.529 1.00 0.00 C ATOM 912 C GLU A 63 10.440 -6.219 5.096 1.00 0.00 C ATOM 913 O GLU A 63 11.208 -6.016 4.156 1.00 0.00 O ATOM 914 CB GLU A 63 11.318 -7.164 7.239 1.00 0.00 C ATOM 915 CG GLU A 63 10.307 -8.297 7.186 1.00 0.00 C ATOM 916 CD GLU A 63 10.863 -9.602 7.721 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.634 -10.261 6.991 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.529 -9.964 8.868 1.00 0.00 O ATOM 0 H GLU A 63 9.503 -5.752 8.129 1.00 0.00 H new ATOM 0 HA GLU A 63 11.674 -5.178 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.252 -7.500 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.534 -6.930 8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.425 -8.019 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.982 -8.441 6.156 1.00 0.00 H new ATOM 925 N PHE A 64 9.221 -6.725 4.937 1.00 0.00 N ATOM 926 CA PHE A 64 8.707 -7.081 3.620 1.00 0.00 C ATOM 927 C PHE A 64 8.368 -5.831 2.812 1.00 0.00 C ATOM 928 O PHE A 64 8.633 -5.763 1.612 1.00 0.00 O ATOM 929 CB PHE A 64 7.467 -7.967 3.755 1.00 0.00 C ATOM 930 CG PHE A 64 6.896 -8.404 2.437 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.696 -9.023 1.490 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.558 -8.195 2.144 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.173 -9.426 0.276 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.029 -8.596 0.931 1.00 0.00 C ATOM 935 CZ PHE A 64 5.838 -9.212 -0.004 1.00 0.00 C ATOM 0 H PHE A 64 8.571 -6.898 5.704 1.00 0.00 H new ATOM 0 HA PHE A 64 9.484 -7.634 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.723 -8.849 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.702 -7.425 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.741 -9.193 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.921 -7.713 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.808 -9.908 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.984 -8.428 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.427 -9.526 -0.952 1.00 0.00 H new ATOM 945 N PHE A 65 7.778 -4.845 3.481 1.00 0.00 N ATOM 946 CA PHE A 65 7.399 -3.598 2.825 1.00 0.00 C ATOM 947 C PHE A 65 8.635 -2.789 2.441 1.00 0.00 C ATOM 948 O PHE A 65 8.603 -2.001 1.497 1.00 0.00 O ATOM 949 CB PHE A 65 6.498 -2.769 3.743 1.00 0.00 C ATOM 950 CG PHE A 65 6.596 -1.290 3.501 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.713 -0.580 3.910 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.570 -0.610 2.866 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.804 0.781 3.690 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.656 0.752 2.642 1.00 0.00 C ATOM 955 CZ PHE A 65 6.775 1.448 3.054 1.00 0.00 C ATOM 0 H PHE A 65 7.552 -4.885 4.475 1.00 0.00 H new ATOM 0 HA PHE A 65 6.851 -3.845 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.464 -3.084 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.759 -2.978 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.522 -1.096 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.692 -1.150 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.680 1.323 4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.849 1.270 2.146 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.846 2.511 2.879 1.00 0.00 H new ATOM 965 N GLN A 66 9.720 -2.991 3.180 1.00 0.00 N ATOM 966 CA GLN A 66 10.966 -2.280 2.918 1.00 0.00 C ATOM 967 C GLN A 66 11.628 -2.794 1.644 1.00 0.00 C ATOM 968 O GLN A 66 12.360 -2.064 0.974 1.00 0.00 O ATOM 969 CB GLN A 66 11.924 -2.432 4.102 1.00 0.00 C ATOM 970 CG GLN A 66 11.504 -1.639 5.329 1.00 0.00 C ATOM 971 CD GLN A 66 12.074 -0.233 5.339 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.191 0.000 4.874 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.308 0.713 5.869 1.00 0.00 N ATOM 0 H GLN A 66 9.762 -3.641 3.965 1.00 0.00 H new ATOM 0 HA GLN A 66 10.731 -1.224 2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.995 -3.487 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.920 -2.112 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.416 -1.586 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.830 -2.165 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.389 0.475 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.638 1.677 5.902 1.00 0.00 H new ATOM 982 N THR A 67 11.367 -4.054 1.314 1.00 0.00 N ATOM 983 CA THR A 67 11.939 -4.666 0.122 1.00 0.00 C ATOM 984 C THR A 67 11.198 -4.221 -1.134 1.00 0.00 C ATOM 985 O THR A 67 11.793 -4.084 -2.203 1.00 0.00 O ATOM 986 CB THR A 67 11.903 -6.204 0.206 1.00 0.00 C ATOM 987 OG1 THR A 67 10.553 -6.655 0.364 1.00 0.00 O ATOM 988 CG2 THR A 67 12.748 -6.701 1.369 1.00 0.00 C ATOM 0 H THR A 67 10.762 -4.671 1.856 1.00 0.00 H new ATOM 0 HA THR A 67 12.977 -4.337 0.066 1.00 0.00 H new ATOM 0 HB THR A 67 12.314 -6.606 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.994 -5.912 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.708 -7.790 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.781 -6.381 1.231 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.362 -6.289 2.301 1.00 0.00 H new ATOM 996 N LEU A 68 9.896 -3.995 -0.998 1.00 0.00 N ATOM 997 CA LEU A 68 9.073 -3.564 -2.122 1.00 0.00 C ATOM 998 C LEU A 68 9.703 -2.370 -2.833 1.00 0.00 C ATOM 999 O LEU A 68 10.177 -1.433 -2.191 1.00 0.00 O ATOM 1000 CB LEU A 68 7.667 -3.201 -1.641 1.00 0.00 C ATOM 1001 CG LEU A 68 6.921 -4.289 -0.865 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.587 -3.763 -0.358 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.715 -5.519 -1.737 1.00 0.00 C ATOM 0 H LEU A 68 9.388 -4.103 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 68 9.007 -4.391 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.738 -2.316 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.068 -2.926 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 68 7.526 -4.575 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.071 -4.550 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.758 -2.912 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.975 -3.449 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.183 -6.283 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.131 -5.248 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.683 -5.909 -2.051 1.00 0.00 H new ATOM 1015 N GLY A 69 9.701 -2.410 -4.161 1.00 0.00 N ATOM 1016 CA GLY A 69 10.274 -1.325 -4.937 1.00 0.00 C ATOM 1017 C GLY A 69 9.466 -0.047 -4.831 1.00 0.00 C ATOM 1018 O GLY A 69 8.612 0.085 -3.954 1.00 0.00 O ATOM 0 H GLY A 69 9.313 -3.174 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.292 -1.137 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.338 -1.625 -5.983 1.00 0.00 H new ATOM 1022 N ASP A 70 9.733 0.896 -5.726 1.00 0.00 N ATOM 1023 CA ASP A 70 9.025 2.171 -5.730 1.00 0.00 C ATOM 1024 C ASP A 70 7.740 2.075 -6.548 1.00 0.00 C ATOM 1025 O ASP A 70 7.683 1.369 -7.552 1.00 0.00 O ATOM 1026 CB ASP A 70 9.920 3.276 -6.292 1.00 0.00 C ATOM 1027 CG ASP A 70 10.491 2.923 -7.652 1.00 0.00 C ATOM 1028 OD1 ASP A 70 9.738 2.987 -8.645 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.691 2.582 -7.721 1.00 0.00 O ATOM 0 H ASP A 70 10.436 0.802 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 70 8.763 2.416 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.346 4.199 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.737 3.467 -5.596 1.00 0.00 H new ATOM 1034 N ASN A 71 6.710 2.791 -6.108 1.00 0.00 N ATOM 1035 CA ASN A 71 5.425 2.786 -6.798 1.00 0.00 C ATOM 1036 C ASN A 71 4.812 1.389 -6.794 1.00 0.00 C ATOM 1037 O ASN A 71 4.248 0.943 -7.794 1.00 0.00 O ATOM 1038 CB ASN A 71 5.593 3.277 -8.236 1.00 0.00 C ATOM 1039 CG ASN A 71 5.928 4.755 -8.308 1.00 0.00 C ATOM 1040 OD1 ASN A 71 5.038 5.606 -8.281 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.215 5.066 -8.398 1.00 0.00 N ATOM 0 H ASN A 71 6.740 3.382 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 71 4.753 3.460 -6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.383 2.704 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.674 3.088 -8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.501 6.044 -8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.918 4.327 -8.417 1.00 0.00 H new ATOM 1048 N THR A 72 4.923 0.702 -5.661 1.00 0.00 N ATOM 1049 CA THR A 72 4.381 -0.644 -5.526 1.00 0.00 C ATOM 1050 C THR A 72 2.860 -0.617 -5.432 1.00 0.00 C ATOM 1051 O THR A 72 2.292 0.076 -4.587 1.00 0.00 O ATOM 1052 CB THR A 72 4.948 -1.356 -4.284 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.365 -1.513 -4.414 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.298 -2.719 -4.098 1.00 0.00 C ATOM 0 H THR A 72 5.384 1.057 -4.823 1.00 0.00 H new ATOM 0 HA THR A 72 4.678 -1.195 -6.418 1.00 0.00 H new ATOM 0 HB THR A 72 4.729 -0.743 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.812 -0.685 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.714 -3.203 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.223 -2.595 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.491 -3.337 -4.975 1.00 0.00 H new ATOM 1062 N HIS A 73 2.203 -1.375 -6.305 1.00 0.00 N ATOM 1063 CA HIS A 73 0.747 -1.439 -6.319 1.00 0.00 C ATOM 1064 C HIS A 73 0.225 -2.223 -5.118 1.00 0.00 C ATOM 1065 O HIS A 73 0.661 -3.345 -4.861 1.00 0.00 O ATOM 1066 CB HIS A 73 0.255 -2.083 -7.616 1.00 0.00 C ATOM 1067 CG HIS A 73 0.019 -1.099 -8.721 1.00 0.00 C ATOM 1068 ND1 HIS A 73 0.791 -1.048 -9.861 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.912 -0.125 -8.855 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.347 -0.085 -10.649 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.687 0.490 -10.062 1.00 0.00 N ATOM 0 H HIS A 73 2.657 -1.953 -7.012 1.00 0.00 H new ATOM 0 HA HIS A 73 0.364 -0.420 -6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.987 -2.820 -7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.671 -2.622 -7.416 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.582 -1.659 -10.065 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.687 0.122 -8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.759 0.186 -11.610 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.709 -1.625 -4.388 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.288 -2.267 -3.213 1.00 0.00 C ATOM 1082 C PHE A 74 -2.808 -2.343 -3.329 1.00 0.00 C ATOM 1083 O PHE A 74 -3.413 -1.656 -4.150 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.899 -1.504 -1.945 1.00 0.00 C ATOM 1085 CG PHE A 74 0.569 -1.565 -1.635 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.168 -2.766 -1.293 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.349 -0.422 -1.685 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.519 -2.825 -1.007 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.701 -0.474 -1.400 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.287 -1.678 -1.061 1.00 0.00 C ATOM 0 H PHE A 74 -1.082 -0.697 -4.588 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.895 -3.282 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.196 -0.461 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.457 -1.909 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.573 -3.666 -1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.896 0.522 -1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.974 -3.768 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.298 0.425 -1.442 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.343 -1.723 -0.839 1.00 0.00 H new ATOM 1100 N MET A 75 -3.416 -3.184 -2.500 1.00 0.00 N ATOM 1101 CA MET A 75 -4.865 -3.351 -2.508 1.00 0.00 C ATOM 1102 C MET A 75 -5.444 -3.156 -1.110 1.00 0.00 C ATOM 1103 O MET A 75 -5.022 -3.812 -0.158 1.00 0.00 O ATOM 1104 CB MET A 75 -5.238 -4.736 -3.038 1.00 0.00 C ATOM 1105 CG MET A 75 -6.636 -5.183 -2.641 1.00 0.00 C ATOM 1106 SD MET A 75 -7.294 -6.459 -3.732 1.00 0.00 S ATOM 1107 CE MET A 75 -7.565 -5.516 -5.231 1.00 0.00 C ATOM 0 H MET A 75 -2.929 -3.761 -1.814 1.00 0.00 H new ATOM 0 HA MET A 75 -5.288 -2.592 -3.166 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.162 -4.732 -4.125 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.515 -5.464 -2.670 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.616 -5.560 -1.618 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.305 -4.322 -2.650 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.633 -5.342 -5.363 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.048 -4.559 -5.157 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.179 -6.072 -6.085 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.409 -2.250 -0.994 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.044 -1.971 0.287 1.00 0.00 C ATOM 1119 C ILE A 76 -8.420 -2.622 0.373 1.00 0.00 C ATOM 1120 O ILE A 76 -9.286 -2.382 -0.470 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.190 -0.457 0.525 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.461 -0.174 2.004 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.305 0.111 -0.342 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.205 0.027 2.822 1.00 0.00 C ATOM 0 H ILE A 76 -6.768 -1.697 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.397 -2.391 1.057 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.256 0.031 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.085 0.716 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.030 -1.002 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.396 1.182 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.073 -0.062 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.246 -0.380 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.474 0.223 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.589 -0.871 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.645 0.874 2.426 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.617 -3.446 1.396 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.890 -4.132 1.594 1.00 0.00 C ATOM 1138 C LEU A 77 -10.582 -3.640 2.861 1.00 0.00 C ATOM 1139 O LEU A 77 -9.940 -3.437 3.890 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.670 -5.644 1.672 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.958 -6.282 0.478 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.743 -7.768 0.717 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.752 -6.055 -0.800 1.00 0.00 C ATOM 0 H LEU A 77 -7.911 -3.656 2.102 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.532 -3.909 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.094 -5.861 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.640 -6.126 1.791 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.983 -5.808 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.235 -8.205 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.132 -7.908 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.707 -8.257 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.231 -6.516 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.741 -6.502 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.854 -4.985 -0.980 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.895 -3.454 2.777 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.674 -2.988 3.918 1.00 0.00 C ATOM 1157 C GLU A 78 -13.145 -4.162 4.771 1.00 0.00 C ATOM 1158 O GLU A 78 -12.942 -5.324 4.416 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.878 -2.172 3.444 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.499 -0.881 2.737 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.635 -0.316 1.907 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.799 -0.424 2.344 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.359 0.234 0.820 1.00 0.00 O ATOM 0 H GLU A 78 -12.441 -3.619 1.932 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.032 -2.353 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.477 -2.783 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.506 -1.935 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.192 -0.142 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.639 -1.063 2.093 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.776 -3.851 5.899 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.278 -4.878 6.803 1.00 0.00 C ATOM 1172 C LYS A 79 -15.337 -5.737 6.119 1.00 0.00 C ATOM 1173 O LYS A 79 -16.535 -5.518 6.294 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.863 -4.235 8.063 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.463 -5.238 9.035 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.501 -4.589 9.935 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.853 -3.897 11.124 1.00 0.00 C ATOM 1178 NZ LYS A 79 -15.425 -4.869 12.167 1.00 0.00 N ATOM 0 H LYS A 79 -13.952 -2.895 6.208 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.442 -5.519 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.080 -3.673 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.632 -3.519 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.922 -6.055 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.672 -5.673 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.079 -3.864 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.201 -5.346 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.989 -3.325 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.556 -3.186 11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.082 -4.353 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.232 -5.467 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.661 -5.467 11.792 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.885 -6.715 5.339 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.807 -7.592 4.641 1.00 0.00 C ATOM 1194 C GLY A 80 -15.500 -7.697 3.161 1.00 0.00 C ATOM 1195 O GLY A 80 -16.408 -7.679 2.330 1.00 0.00 O ATOM 0 H GLY A 80 -13.898 -6.915 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.768 -8.585 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.824 -7.223 4.773 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.218 -7.805 2.831 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.793 -7.909 1.440 1.00 0.00 C ATOM 1201 C GLN A 81 -12.502 -8.714 1.324 1.00 0.00 C ATOM 1202 O GLN A 81 -11.758 -8.856 2.293 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.597 -6.517 0.838 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.891 -5.737 0.672 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.844 -4.768 -0.492 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.492 -4.979 -1.517 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.073 -3.696 -0.340 1.00 0.00 N ATOM 0 H GLN A 81 -13.455 -7.823 3.508 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.575 -8.429 0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.919 -5.948 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.115 -6.616 -0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.715 -6.435 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.099 -5.187 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.553 -3.561 0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.001 -3.009 -1.090 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.244 -9.239 0.131 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.043 -10.029 -0.114 1.00 0.00 C ATOM 1218 C LYS A 82 -10.311 -9.535 -1.358 1.00 0.00 C ATOM 1219 O LYS A 82 -10.823 -8.694 -2.097 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.404 -11.508 -0.275 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.377 -11.776 -1.410 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.782 -13.239 -1.462 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.358 -13.610 -2.821 1.00 0.00 C ATOM 1224 NZ LYS A 82 -13.966 -14.969 -2.814 1.00 0.00 N ATOM 0 H LYS A 82 -12.851 -9.132 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.382 -9.914 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.492 -12.079 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.837 -11.871 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.265 -11.156 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.920 -11.490 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.916 -13.865 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.520 -13.441 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.111 -12.877 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.570 -13.569 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.347 -15.184 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.241 -15.672 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.735 -15.002 -2.115 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.115 -10.064 -1.583 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.313 -9.678 -2.739 1.00 0.00 C ATOM 1240 C TRP A 83 -8.727 -10.467 -3.977 1.00 0.00 C ATOM 1241 O TRP A 83 -9.222 -11.589 -3.872 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.827 -9.898 -2.452 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.983 -9.938 -3.690 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.190 -8.937 -4.173 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.850 -11.033 -4.602 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.571 -9.344 -5.331 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.959 -10.627 -5.614 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.394 -12.319 -4.661 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.603 -11.460 -6.671 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.041 -13.145 -5.711 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.152 -12.714 -6.704 1.00 0.00 C ATOM 0 H TRP A 83 -8.678 -10.762 -0.981 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.485 -8.619 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.468 -9.100 -1.802 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.704 -10.834 -1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.067 -7.968 -3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.928 -8.782 -5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.079 -12.661 -3.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.918 -11.129 -7.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.458 -14.140 -5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.895 -13.384 -7.511 1.00 0.00 H new ATOM 1262 N MET A 84 -8.521 -9.874 -5.148 1.00 0.00 N ATOM 1263 CA MET A 84 -8.872 -10.523 -6.405 1.00 0.00 C ATOM 1264 C MET A 84 -7.790 -10.294 -7.456 1.00 0.00 C ATOM 1265 O MET A 84 -7.176 -9.229 -7.527 1.00 0.00 O ATOM 1266 CB MET A 84 -10.216 -10.001 -6.916 1.00 0.00 C ATOM 1267 CG MET A 84 -11.362 -10.212 -5.940 1.00 0.00 C ATOM 1268 SD MET A 84 -12.958 -10.367 -6.765 1.00 0.00 S ATOM 1269 CE MET A 84 -12.668 -11.804 -7.795 1.00 0.00 C ATOM 0 H MET A 84 -8.113 -8.945 -5.252 1.00 0.00 H new ATOM 0 HA MET A 84 -8.954 -11.594 -6.221 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.125 -8.936 -7.131 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.455 -10.497 -7.857 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.173 -11.110 -5.352 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.398 -9.376 -5.242 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.605 -12.341 -7.942 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.277 -11.486 -8.761 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.946 -12.460 -7.309 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.551 -11.315 -8.292 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.543 -11.247 -9.355 1.00 0.00 C ATOM 1281 C PRO A 85 -6.945 -10.295 -10.476 1.00 0.00 C ATOM 1282 O PRO A 85 -7.995 -9.655 -10.413 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.478 -12.685 -9.874 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.809 -13.266 -9.548 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.245 -12.612 -8.266 1.00 0.00 C ATOM 0 HA PRO A 85 -5.589 -10.867 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.287 -12.710 -10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.674 -13.243 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.525 -13.074 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.744 -14.348 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.327 -12.488 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.959 -13.203 -7.396 1.00 0.00 H new ATOM 1293 N SER A 86 -6.104 -10.205 -11.501 1.00 0.00 N ATOM 1294 CA SER A 86 -6.371 -9.328 -12.635 1.00 0.00 C ATOM 1295 C SER A 86 -7.484 -9.895 -13.511 1.00 0.00 C ATOM 1296 O SER A 86 -7.285 -10.870 -14.234 1.00 0.00 O ATOM 1297 CB SER A 86 -5.101 -9.135 -13.466 1.00 0.00 C ATOM 1298 OG SER A 86 -4.719 -10.341 -14.103 1.00 0.00 O ATOM 0 H SER A 86 -5.232 -10.729 -11.570 1.00 0.00 H new ATOM 0 HA SER A 86 -6.695 -8.362 -12.248 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.267 -8.361 -14.216 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.292 -8.788 -12.824 1.00 0.00 H new ATOM 0 HG SER A 86 -5.494 -10.938 -14.166 1.00 0.00 H new ATOM 1304 N GLY A 87 -8.659 -9.276 -13.438 1.00 0.00 N ATOM 1305 CA GLY A 87 -9.787 -9.732 -14.228 1.00 0.00 C ATOM 1306 C GLY A 87 -10.755 -10.577 -13.423 1.00 0.00 C ATOM 1307 O GLY A 87 -10.397 -11.169 -12.405 1.00 0.00 O ATOM 0 H GLY A 87 -8.849 -8.467 -12.846 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.314 -8.869 -14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.422 -10.311 -15.076 1.00 0.00 H new ATOM 1311 N PRO A 88 -12.015 -10.639 -13.880 1.00 0.00 N ATOM 1312 CA PRO A 88 -13.063 -11.413 -13.209 1.00 0.00 C ATOM 1313 C PRO A 88 -12.841 -12.917 -13.330 1.00 0.00 C ATOM 1314 O PRO A 88 -13.158 -13.519 -14.356 1.00 0.00 O ATOM 1315 CB PRO A 88 -14.338 -10.999 -13.949 1.00 0.00 C ATOM 1316 CG PRO A 88 -13.871 -10.567 -15.296 1.00 0.00 C ATOM 1317 CD PRO A 88 -12.512 -9.957 -15.087 1.00 0.00 C ATOM 0 HA PRO A 88 -13.092 -11.216 -12.137 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.041 -11.829 -14.021 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.852 -10.190 -13.430 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.818 -11.413 -15.981 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.560 -9.845 -15.735 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.859 -10.128 -15.943 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.573 -8.878 -14.943 1.00 0.00 H new ATOM 1325 N SER A 89 -12.295 -13.516 -12.278 1.00 0.00 N ATOM 1326 CA SER A 89 -12.027 -14.950 -12.269 1.00 0.00 C ATOM 1327 C SER A 89 -12.261 -15.537 -10.880 1.00 0.00 C ATOM 1328 O SER A 89 -11.545 -15.218 -9.931 1.00 0.00 O ATOM 1329 CB SER A 89 -10.591 -15.225 -12.717 1.00 0.00 C ATOM 1330 OG SER A 89 -10.494 -15.259 -14.130 1.00 0.00 O ATOM 0 H SER A 89 -12.029 -13.032 -11.421 1.00 0.00 H new ATOM 0 HA SER A 89 -12.715 -15.428 -12.967 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.930 -14.453 -12.323 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.254 -16.175 -12.303 1.00 0.00 H new ATOM 0 HG SER A 89 -11.253 -14.778 -14.522 1.00 0.00 H new ATOM 1336 N SER A 90 -13.267 -16.398 -10.770 1.00 0.00 N ATOM 1337 CA SER A 90 -13.600 -17.027 -9.497 1.00 0.00 C ATOM 1338 C SER A 90 -12.688 -18.222 -9.228 1.00 0.00 C ATOM 1339 O SER A 90 -13.034 -19.362 -9.536 1.00 0.00 O ATOM 1340 CB SER A 90 -15.062 -17.476 -9.492 1.00 0.00 C ATOM 1341 OG SER A 90 -15.581 -17.506 -8.173 1.00 0.00 O ATOM 0 H SER A 90 -13.866 -16.676 -11.547 1.00 0.00 H new ATOM 0 HA SER A 90 -13.451 -16.292 -8.706 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.656 -16.798 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.143 -18.466 -9.941 1.00 0.00 H new ATOM 0 HG SER A 90 -16.517 -17.794 -8.196 1.00 0.00 H new ATOM 1347 N GLY A 91 -11.521 -17.950 -8.652 1.00 0.00 N ATOM 1348 CA GLY A 91 -10.578 -19.011 -8.352 1.00 0.00 C ATOM 1349 C GLY A 91 -9.575 -19.229 -9.467 1.00 0.00 C ATOM 1350 O GLY A 91 -8.907 -20.262 -9.517 1.00 0.00 O ATOM 0 H GLY A 91 -11.212 -17.014 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.046 -18.770 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.124 -19.937 -8.172 1.00 0.00 H new TER 1354 GLY A 91