USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 248 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 18 ASN : amide:sc= 0.08 X(o=0.17,f=-0.1) USER MOD Set 1.2: A 23 THR OG1 : rot 77:sc= 0.0917 USER MOD Set 2.1: A 11 ASN :FLIP amide:sc= -1.25 F(o=-5,f=-3.4) USER MOD Set 2.2: A 12 ASN :FLIP amide:sc= -2.14 F(o=-8.4!,f=-3.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -1.18 F(o=-1.7,f=-1.2) USER MOD Single : A 9 TYR OH : rot 144:sc= 0.148 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) USER MOD Single : A 25 SER OG : rot 74:sc= 0.00512 USER MOD Single : A 30 MET CE :methyl 132:sc= -0.23 (180deg=-1.23) USER MOD Single : A 32 SER OG : rot 95:sc= 0.0146 USER MOD Single : A 36 SER OG : rot 93:sc= 0.112 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.902 8.500 5.865 1.00 0.00 N ATOM 2 CA ALA A 1 -17.370 7.183 5.559 1.00 0.00 C ATOM 3 C ALA A 1 -15.885 7.308 5.205 1.00 0.00 C ATOM 4 O ALA A 1 -15.510 8.127 4.368 1.00 0.00 O ATOM 5 CB ALA A 1 -18.186 6.551 4.430 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.910 8.420 6.106 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.385 8.905 6.671 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.792 9.120 5.037 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.450 6.526 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.786 5.563 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.227 6.458 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.127 7.181 3.542 1.00 0.00 H new ATOM 11 N ARG A 2 -15.082 6.482 5.860 1.00 0.00 N ATOM 12 CA ARG A 2 -13.649 6.489 5.626 1.00 0.00 C ATOM 13 C ARG A 2 -13.038 5.147 6.030 1.00 0.00 C ATOM 14 O ARG A 2 -13.760 4.200 6.338 1.00 0.00 O ATOM 15 CB ARG A 2 -12.967 7.610 6.413 1.00 0.00 C ATOM 16 CG ARG A 2 -13.169 7.424 7.918 1.00 0.00 C ATOM 17 CD ARG A 2 -14.557 7.899 8.349 1.00 0.00 C ATOM 18 NE ARG A 2 -15.273 6.807 9.045 1.00 0.00 N ATOM 19 CZ ARG A 2 -16.556 6.874 9.429 1.00 0.00 C ATOM 20 NH1 ARG A 2 -17.270 7.980 9.186 1.00 0.00 N ATOM 21 NH2 ARG A 2 -17.122 5.833 10.055 1.00 0.00 N ATOM 0 H ARG A 2 -15.398 5.803 6.553 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.489 6.659 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.901 7.624 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.371 8.574 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.044 6.373 8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.406 7.980 8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.466 8.763 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.127 8.221 7.477 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.758 5.949 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.838 8.771 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -18.246 8.031 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.577 4.991 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.098 5.883 10.348 1.00 0.00 H new ATOM 32 N SER A 3 -11.714 5.107 6.017 1.00 0.00 N ATOM 33 CA SER A 3 -10.997 3.896 6.379 1.00 0.00 C ATOM 34 C SER A 3 -9.504 4.195 6.524 1.00 0.00 C ATOM 35 O SER A 3 -8.881 3.804 7.510 1.00 0.00 O ATOM 36 CB SER A 3 -11.221 2.794 5.342 1.00 0.00 C ATOM 37 OG SER A 3 -10.910 3.232 4.022 1.00 0.00 O ATOM 0 H SER A 3 -11.118 5.894 5.761 1.00 0.00 H new ATOM 0 HA SER A 3 -11.383 3.542 7.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.605 1.930 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.260 2.466 5.380 1.00 0.00 H new ATOM 0 HG SER A 3 -11.064 2.500 3.389 1.00 0.00 H new ATOM 42 N TYR A 4 -8.972 4.886 5.526 1.00 0.00 N ATOM 43 CA TYR A 4 -7.563 5.242 5.530 1.00 0.00 C ATOM 44 C TYR A 4 -6.714 4.110 6.111 1.00 0.00 C ATOM 45 O TYR A 4 -6.447 4.083 7.312 1.00 0.00 O ATOM 46 CB TYR A 4 -7.441 6.472 6.432 1.00 0.00 C ATOM 47 CG TYR A 4 -8.096 7.730 5.861 1.00 0.00 C ATOM 48 CD1 TYR A 4 -9.424 7.998 6.124 1.00 0.00 C ATOM 49 CD2 TYR A 4 -7.358 8.599 5.082 1.00 0.00 C ATOM 50 CE1 TYR A 4 -10.040 9.184 5.587 1.00 0.00 C ATOM 51 CE2 TYR A 4 -7.974 9.784 4.544 1.00 0.00 C ATOM 52 CZ TYR A 4 -9.284 10.018 4.823 1.00 0.00 C ATOM 53 OH TYR A 4 -9.867 11.137 4.315 1.00 0.00 O ATOM 0 H TYR A 4 -9.491 5.209 4.709 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.212 5.432 4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.892 6.247 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.385 6.674 6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.002 7.318 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.319 8.390 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.078 9.406 5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.408 10.471 3.933 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.209 11.639 3.791 1.00 0.00 H new ATOM 62 N GLY A 5 -6.311 3.204 5.233 1.00 0.00 N ATOM 63 CA GLY A 5 -5.497 2.073 5.644 1.00 0.00 C ATOM 64 C GLY A 5 -6.040 1.445 6.929 1.00 0.00 C ATOM 65 O GLY A 5 -6.922 0.588 6.881 1.00 0.00 O ATOM 0 H GLY A 5 -6.533 3.230 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.478 1.326 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.468 2.398 5.800 1.00 0.00 H new ATOM 69 N ASN A 6 -5.493 1.894 8.048 1.00 0.00 N ATOM 70 CA ASN A 6 -5.912 1.386 9.343 1.00 0.00 C ATOM 71 C ASN A 6 -5.648 2.449 10.412 1.00 0.00 C ATOM 72 O ASN A 6 -4.540 2.974 10.511 1.00 0.00 O ATOM 73 CB ASN A 6 -5.126 0.129 9.722 1.00 0.00 C ATOM 74 CG ASN A 6 -5.323 -0.975 8.682 1.00 0.00 C ATOM 75 OD1 ASN A 6 -6.456 -1.655 8.823 1.00 0.00 O flip ATOM 76 ND2 ASN A 6 -4.499 -1.195 7.809 1.00 0.00 N flip ATOM 0 H ASN A 6 -4.762 2.605 8.085 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.973 1.143 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.066 0.370 9.806 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.450 -0.226 10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.649 -0.634 7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.661 -1.940 7.131 1.00 0.00 H new ATOM 82 N GLY A 7 -6.685 2.734 11.186 1.00 0.00 N ATOM 83 CA GLY A 7 -6.580 3.724 12.243 1.00 0.00 C ATOM 84 C GLY A 7 -7.258 5.034 11.837 1.00 0.00 C ATOM 85 O GLY A 7 -6.596 6.062 11.699 1.00 0.00 O ATOM 0 H GLY A 7 -7.602 2.296 11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.040 3.339 13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.530 3.909 12.470 1.00 0.00 H new ATOM 89 N VAL A 8 -8.567 4.955 11.658 1.00 0.00 N ATOM 90 CA VAL A 8 -9.342 6.123 11.271 1.00 0.00 C ATOM 91 C VAL A 8 -10.825 5.855 11.533 1.00 0.00 C ATOM 92 O VAL A 8 -11.532 6.716 12.056 1.00 0.00 O ATOM 93 CB VAL A 8 -9.048 6.486 9.815 1.00 0.00 C ATOM 94 CG1 VAL A 8 -10.208 7.273 9.201 1.00 0.00 C ATOM 95 CG2 VAL A 8 -7.736 7.263 9.697 1.00 0.00 C ATOM 0 H VAL A 8 -9.112 4.101 11.773 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.057 6.987 11.871 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.939 5.558 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.973 7.519 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.115 6.669 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.363 8.192 9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.551 7.508 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.804 8.182 10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.916 6.653 10.077 1.00 0.00 H new ATOM 105 N TYR A 9 -11.253 4.659 11.157 1.00 0.00 N ATOM 106 CA TYR A 9 -12.641 4.266 11.346 1.00 0.00 C ATOM 107 C TYR A 9 -13.195 4.825 12.658 1.00 0.00 C ATOM 108 O TYR A 9 -14.301 5.361 12.690 1.00 0.00 O ATOM 109 CB TYR A 9 -12.641 2.738 11.414 1.00 0.00 C ATOM 110 CG TYR A 9 -11.901 2.063 10.258 1.00 0.00 C ATOM 111 CD1 TYR A 9 -12.505 1.955 9.021 1.00 0.00 C ATOM 112 CD2 TYR A 9 -10.629 1.563 10.450 1.00 0.00 C ATOM 113 CE1 TYR A 9 -11.808 1.319 7.933 1.00 0.00 C ATOM 114 CE2 TYR A 9 -9.932 0.928 9.363 1.00 0.00 C ATOM 115 CZ TYR A 9 -10.556 0.838 8.157 1.00 0.00 C ATOM 116 OH TYR A 9 -9.898 0.237 7.129 1.00 0.00 O ATOM 0 H TYR A 9 -10.664 3.949 10.722 1.00 0.00 H new ATOM 0 HA TYR A 9 -13.262 4.648 10.536 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -12.186 2.427 12.354 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -13.672 2.385 11.427 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.500 2.347 8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.156 1.648 11.417 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.269 1.226 6.961 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.937 0.532 9.501 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.942 0.446 7.186 1.00 0.00 H new ATOM 125 N CYS A 10 -12.400 4.678 13.709 1.00 0.00 N ATOM 126 CA CYS A 10 -12.798 5.161 15.020 1.00 0.00 C ATOM 127 C CYS A 10 -14.046 4.392 15.456 1.00 0.00 C ATOM 128 O CYS A 10 -14.923 4.109 14.641 1.00 0.00 O ATOM 129 CB CYS A 10 -13.029 6.673 15.020 1.00 0.00 C ATOM 130 SG CYS A 10 -12.130 7.588 16.325 1.00 0.00 S ATOM 0 H CYS A 10 -11.483 4.232 13.679 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.995 4.983 15.735 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.735 7.071 14.049 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.096 6.863 15.132 1.00 0.00 H new ATOM 134 N ASN A 11 -14.087 4.075 16.743 1.00 0.00 N ATOM 135 CA ASN A 11 -15.214 3.344 17.297 1.00 0.00 C ATOM 136 C ASN A 11 -15.963 4.242 18.285 1.00 0.00 C ATOM 137 O ASN A 11 -16.922 4.915 17.912 1.00 0.00 O ATOM 138 CB ASN A 11 -14.745 2.100 18.053 1.00 0.00 C ATOM 139 CG ASN A 11 -15.865 1.537 18.930 1.00 0.00 C ATOM 140 OD1 ASN A 11 -15.587 1.542 20.231 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -16.911 1.124 18.458 1.00 0.00 N flip ATOM 0 H ASN A 11 -13.358 4.311 17.417 1.00 0.00 H new ATOM 0 HA ASN A 11 -15.859 3.043 16.472 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.417 1.341 17.343 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.884 2.350 18.673 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.060 1.149 17.449 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.636 0.754 19.072 1.00 0.00 H new ATOM 147 N ASN A 12 -15.495 4.224 19.523 1.00 0.00 N ATOM 148 CA ASN A 12 -16.107 5.028 20.567 1.00 0.00 C ATOM 149 C ASN A 12 -15.098 5.246 21.696 1.00 0.00 C ATOM 150 O ASN A 12 -14.406 6.262 21.727 1.00 0.00 O ATOM 151 CB ASN A 12 -17.332 4.324 21.157 1.00 0.00 C ATOM 152 CG ASN A 12 -18.532 4.430 20.213 1.00 0.00 C ATOM 153 OD1 ASN A 12 -18.529 3.532 19.233 1.00 0.00 O flip ATOM 154 ND2 ASN A 12 -19.403 5.271 20.366 1.00 0.00 N flip ATOM 0 H ASN A 12 -14.698 3.665 19.828 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.413 5.977 20.126 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.100 3.275 21.340 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.582 4.768 22.121 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.344 5.931 21.141 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.190 5.313 19.719 1.00 0.00 H new ATOM 160 N LYS A 13 -15.047 4.276 22.597 1.00 0.00 N ATOM 161 CA LYS A 13 -14.134 4.348 23.725 1.00 0.00 C ATOM 162 C LYS A 13 -12.753 4.785 23.230 1.00 0.00 C ATOM 163 O LYS A 13 -12.026 5.477 23.941 1.00 0.00 O ATOM 164 CB LYS A 13 -14.122 3.024 24.491 1.00 0.00 C ATOM 165 CG LYS A 13 -13.498 1.908 23.650 1.00 0.00 C ATOM 166 CD LYS A 13 -14.475 0.746 23.469 1.00 0.00 C ATOM 167 CE LYS A 13 -13.956 -0.251 22.432 1.00 0.00 C ATOM 168 NZ LYS A 13 -14.102 -1.638 22.927 1.00 0.00 N ATOM 0 H LYS A 13 -15.624 3.435 22.569 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.470 5.099 24.440 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.562 3.142 25.418 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.140 2.750 24.767 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.210 2.301 22.675 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.588 1.551 24.131 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.624 0.240 24.423 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.447 1.129 23.156 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.505 -0.132 21.498 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.908 -0.045 22.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.745 -2.302 22.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.558 -1.752 23.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.106 -1.836 23.113 1.00 0.00 H new ATOM 178 N LYS A 14 -12.434 4.362 22.015 1.00 0.00 N ATOM 179 CA LYS A 14 -11.154 4.701 21.418 1.00 0.00 C ATOM 180 C LYS A 14 -11.302 4.749 19.896 1.00 0.00 C ATOM 181 O LYS A 14 -12.361 4.420 19.362 1.00 0.00 O ATOM 182 CB LYS A 14 -10.067 3.737 21.899 1.00 0.00 C ATOM 183 CG LYS A 14 -10.422 2.291 21.551 1.00 0.00 C ATOM 184 CD LYS A 14 -10.005 1.954 20.117 1.00 0.00 C ATOM 185 CE LYS A 14 -11.184 1.392 19.321 1.00 0.00 C ATOM 186 NZ LYS A 14 -11.269 -0.077 19.487 1.00 0.00 N ATOM 0 H LYS A 14 -13.040 3.788 21.429 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.835 5.693 21.739 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.114 4.001 21.441 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.941 3.835 22.977 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.926 1.614 22.246 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.495 2.138 21.667 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.623 2.849 19.626 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.192 1.228 20.132 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.111 1.856 19.657 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.068 1.639 18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.075 -0.442 18.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.391 -0.516 19.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.401 -0.306 20.493 1.00 0.00 H new ATOM 196 N CYS A 15 -10.227 5.161 19.240 1.00 0.00 N ATOM 197 CA CYS A 15 -10.226 5.257 17.790 1.00 0.00 C ATOM 198 C CYS A 15 -9.717 3.930 17.223 1.00 0.00 C ATOM 199 O CYS A 15 -10.502 3.116 16.740 1.00 0.00 O ATOM 200 CB CYS A 15 -9.392 6.444 17.304 1.00 0.00 C ATOM 201 SG CYS A 15 -10.178 7.445 15.988 1.00 0.00 S ATOM 0 H CYS A 15 -9.351 5.432 19.686 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.239 5.439 17.432 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.177 7.091 18.154 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.436 6.072 16.936 1.00 0.00 H new ATOM 205 N TRP A 16 -8.406 3.755 17.300 1.00 0.00 N ATOM 206 CA TRP A 16 -7.783 2.541 16.799 1.00 0.00 C ATOM 207 C TRP A 16 -6.273 2.780 16.727 1.00 0.00 C ATOM 208 O TRP A 16 -5.694 2.793 15.642 1.00 0.00 O ATOM 209 CB TRP A 16 -8.387 2.129 15.455 1.00 0.00 C ATOM 210 CG TRP A 16 -9.172 0.816 15.502 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.712 -0.410 15.787 1.00 0.00 C ATOM 212 CD2 TRP A 16 -10.582 0.647 15.245 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.718 -1.353 15.732 1.00 0.00 N ATOM 214 CE2 TRP A 16 -10.891 -0.690 15.391 1.00 0.00 C ATOM 215 CE3 TRP A 16 -11.563 1.593 14.899 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -12.181 -1.202 15.212 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -12.848 1.065 14.723 1.00 0.00 C ATOM 218 CH2 TRP A 16 -13.176 -0.279 14.867 1.00 0.00 C ATOM 0 H TRP A 16 -7.758 4.433 17.701 1.00 0.00 H new ATOM 0 HA TRP A 16 -7.972 1.705 17.472 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -9.047 2.923 15.106 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.586 2.036 14.722 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.683 -0.632 16.029 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.619 -2.353 15.909 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -11.343 2.643 14.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.398 -2.253 15.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -13.640 1.749 14.457 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -14.193 -0.609 14.714 1.00 0.00 H new ATOM 228 N VAL A 17 -5.679 2.961 17.898 1.00 0.00 N ATOM 229 CA VAL A 17 -4.248 3.197 17.982 1.00 0.00 C ATOM 230 C VAL A 17 -3.512 2.146 17.150 1.00 0.00 C ATOM 231 O VAL A 17 -2.623 2.478 16.367 1.00 0.00 O ATOM 232 CB VAL A 17 -3.806 3.219 19.446 1.00 0.00 C ATOM 233 CG1 VAL A 17 -4.352 4.455 20.165 1.00 0.00 C ATOM 234 CG2 VAL A 17 -4.227 1.936 20.165 1.00 0.00 C ATOM 0 H VAL A 17 -6.163 2.949 18.796 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.997 4.173 17.567 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.718 3.273 19.467 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.023 4.446 21.204 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.981 5.355 19.674 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.441 4.445 20.129 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.901 1.977 21.204 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.312 1.838 20.129 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.769 1.077 19.675 1.00 0.00 H new ATOM 244 N ASN A 18 -3.909 0.897 17.348 1.00 0.00 N ATOM 245 CA ASN A 18 -3.298 -0.206 16.627 1.00 0.00 C ATOM 246 C ASN A 18 -4.356 -1.275 16.345 1.00 0.00 C ATOM 247 O ASN A 18 -5.290 -1.451 17.127 1.00 0.00 O ATOM 248 CB ASN A 18 -2.182 -0.852 17.449 1.00 0.00 C ATOM 249 CG ASN A 18 -0.844 -0.779 16.712 1.00 0.00 C ATOM 250 OD1 ASN A 18 -0.616 -1.446 15.717 1.00 0.00 O ATOM 251 ND2 ASN A 18 0.027 0.068 17.254 1.00 0.00 N ATOM 0 H ASN A 18 -4.647 0.625 17.998 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.881 0.188 15.700 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.098 -0.349 18.413 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.432 -1.893 17.653 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.949 0.189 16.835 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.227 0.597 18.088 1.00 0.00 H new ATOM 257 N ARG A 19 -4.177 -1.960 15.225 1.00 0.00 N ATOM 258 CA ARG A 19 -5.105 -3.006 14.831 1.00 0.00 C ATOM 259 C ARG A 19 -4.476 -4.383 15.050 1.00 0.00 C ATOM 260 O ARG A 19 -5.035 -5.218 15.760 1.00 0.00 O ATOM 261 CB ARG A 19 -5.503 -2.863 13.360 1.00 0.00 C ATOM 262 CG ARG A 19 -6.538 -1.752 13.178 1.00 0.00 C ATOM 263 CD ARG A 19 -7.912 -2.334 12.834 1.00 0.00 C ATOM 264 NE ARG A 19 -7.962 -2.702 11.402 1.00 0.00 N ATOM 265 CZ ARG A 19 -9.095 -2.843 10.702 1.00 0.00 C ATOM 266 NH1 ARG A 19 -10.280 -2.647 11.297 1.00 0.00 N ATOM 267 NH2 ARG A 19 -9.044 -3.179 9.406 1.00 0.00 N ATOM 0 H ARG A 19 -3.403 -1.811 14.578 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.998 -2.908 15.449 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.620 -2.644 12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.909 -3.807 12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.607 -1.161 14.092 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.216 -1.076 12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.109 -3.211 13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.691 -1.605 13.058 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.078 -2.858 10.917 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.319 -2.390 12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.143 -2.755 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.142 -3.327 8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.907 -3.286 8.873 1.00 0.00 H new ATOM 278 N GLY A 20 -3.322 -4.578 14.428 1.00 0.00 N ATOM 279 CA GLY A 20 -2.613 -5.841 14.546 1.00 0.00 C ATOM 280 C GLY A 20 -1.607 -6.013 13.406 1.00 0.00 C ATOM 281 O GLY A 20 -0.405 -6.112 13.643 1.00 0.00 O ATOM 0 H GLY A 20 -2.861 -3.883 13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.094 -5.883 15.503 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.326 -6.665 14.534 1.00 0.00 H new ATOM 285 N GLU A 21 -2.138 -6.044 12.192 1.00 0.00 N ATOM 286 CA GLU A 21 -1.303 -6.204 11.014 1.00 0.00 C ATOM 287 C GLU A 21 -0.146 -5.202 11.044 1.00 0.00 C ATOM 288 O GLU A 21 0.978 -5.536 10.675 1.00 0.00 O ATOM 289 CB GLU A 21 -2.126 -6.053 9.734 1.00 0.00 C ATOM 290 CG GLU A 21 -1.438 -6.744 8.555 1.00 0.00 C ATOM 291 CD GLU A 21 -2.439 -7.569 7.742 1.00 0.00 C ATOM 292 OE1 GLU A 21 -2.470 -7.465 6.508 1.00 0.00 O ATOM 293 OE2 GLU A 21 -3.202 -8.340 8.440 1.00 0.00 O ATOM 0 H GLU A 21 -3.136 -5.961 11.999 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.886 -7.211 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.118 -6.481 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.265 -4.995 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.971 -5.997 7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.642 -7.391 8.923 1.00 0.00 H new ATOM 299 N ALA A 22 -0.463 -3.995 11.488 1.00 0.00 N ATOM 300 CA ALA A 22 0.535 -2.943 11.571 1.00 0.00 C ATOM 301 C ALA A 22 1.716 -3.430 12.413 1.00 0.00 C ATOM 302 O ALA A 22 2.867 -3.342 11.986 1.00 0.00 O ATOM 303 CB ALA A 22 -0.104 -1.676 12.143 1.00 0.00 C ATOM 0 H ALA A 22 -1.397 -3.722 11.794 1.00 0.00 H new ATOM 0 HA ALA A 22 0.916 -2.698 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.645 -0.887 12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.918 -1.354 11.493 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.496 -1.884 13.139 1.00 0.00 H new ATOM 309 N THR A 23 1.391 -3.935 13.594 1.00 0.00 N ATOM 310 CA THR A 23 2.410 -4.438 14.500 1.00 0.00 C ATOM 311 C THR A 23 3.183 -5.585 13.848 1.00 0.00 C ATOM 312 O THR A 23 4.412 -5.562 13.800 1.00 0.00 O ATOM 313 CB THR A 23 1.725 -4.833 15.809 1.00 0.00 C ATOM 314 OG1 THR A 23 1.589 -3.603 16.516 1.00 0.00 O ATOM 315 CG2 THR A 23 2.626 -5.681 16.708 1.00 0.00 C ATOM 0 H THR A 23 0.436 -4.007 13.945 1.00 0.00 H new ATOM 0 HA THR A 23 3.153 -3.673 14.724 1.00 0.00 H new ATOM 0 HB THR A 23 0.811 -5.383 15.588 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.841 -3.092 16.142 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.092 -5.934 17.624 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.904 -6.596 16.185 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.526 -5.118 16.957 1.00 0.00 H new ATOM 323 N GLN A 24 2.431 -6.564 13.363 1.00 0.00 N ATOM 324 CA GLN A 24 3.031 -7.717 12.717 1.00 0.00 C ATOM 325 C GLN A 24 4.173 -7.278 11.796 1.00 0.00 C ATOM 326 O GLN A 24 5.299 -7.752 11.929 1.00 0.00 O ATOM 327 CB GLN A 24 1.982 -8.520 11.944 1.00 0.00 C ATOM 328 CG GLN A 24 0.839 -8.956 12.863 1.00 0.00 C ATOM 329 CD GLN A 24 0.231 -10.278 12.392 1.00 0.00 C ATOM 330 OE1 GLN A 24 0.652 -10.872 11.413 1.00 0.00 O ATOM 331 NE2 GLN A 24 -0.782 -10.705 13.142 1.00 0.00 N ATOM 0 H GLN A 24 1.412 -6.581 13.405 1.00 0.00 H new ATOM 0 HA GLN A 24 3.443 -8.367 13.489 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.587 -7.917 11.127 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.448 -9.398 11.496 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.209 -9.064 13.883 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.069 -8.184 12.883 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.085 -10.159 13.949 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.256 -11.578 12.910 1.00 0.00 H new ATOM 338 N SER A 25 3.840 -6.376 10.884 1.00 0.00 N ATOM 339 CA SER A 25 4.823 -5.867 9.943 1.00 0.00 C ATOM 340 C SER A 25 6.066 -5.386 10.693 1.00 0.00 C ATOM 341 O SER A 25 5.960 -4.634 11.662 1.00 0.00 O ATOM 342 CB SER A 25 4.240 -4.731 9.099 1.00 0.00 C ATOM 343 OG SER A 25 3.188 -5.182 8.251 1.00 0.00 O ATOM 0 H SER A 25 2.904 -5.985 10.777 1.00 0.00 H new ATOM 0 HA SER A 25 5.104 -6.677 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.865 -3.947 9.756 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.030 -4.288 8.493 1.00 0.00 H new ATOM 0 HG SER A 25 2.383 -5.345 8.786 1.00 0.00 H new ATOM 348 N ILE A 26 7.217 -5.840 10.218 1.00 0.00 N ATOM 349 CA ILE A 26 8.480 -5.466 10.832 1.00 0.00 C ATOM 350 C ILE A 26 8.724 -3.971 10.615 1.00 0.00 C ATOM 351 O ILE A 26 9.217 -3.282 11.508 1.00 0.00 O ATOM 352 CB ILE A 26 9.612 -6.355 10.313 1.00 0.00 C ATOM 353 CG1 ILE A 26 9.811 -6.168 8.809 1.00 0.00 C ATOM 354 CG2 ILE A 26 9.371 -7.820 10.683 1.00 0.00 C ATOM 355 CD1 ILE A 26 10.994 -5.240 8.523 1.00 0.00 C ATOM 0 H ILE A 26 7.301 -6.463 9.415 1.00 0.00 H new ATOM 0 HA ILE A 26 8.444 -5.631 11.909 1.00 0.00 H new ATOM 0 HB ILE A 26 10.538 -6.048 10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.982 -7.136 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.905 -5.754 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.190 -8.431 10.303 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.319 -7.918 11.767 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.432 -8.157 10.243 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.113 -5.124 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.809 -4.265 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.903 -5.669 8.945 1.00 0.00 H new ATOM 366 N ILE A 27 8.367 -3.512 9.424 1.00 0.00 N ATOM 367 CA ILE A 27 8.542 -2.111 9.079 1.00 0.00 C ATOM 368 C ILE A 27 7.820 -1.243 10.111 1.00 0.00 C ATOM 369 O ILE A 27 8.288 -0.156 10.450 1.00 0.00 O ATOM 370 CB ILE A 27 8.094 -1.855 7.638 1.00 0.00 C ATOM 371 CG1 ILE A 27 6.789 -2.591 7.331 1.00 0.00 C ATOM 372 CG2 ILE A 27 9.203 -2.216 6.648 1.00 0.00 C ATOM 373 CD1 ILE A 27 6.012 -1.887 6.217 1.00 0.00 C ATOM 0 H ILE A 27 7.958 -4.085 8.686 1.00 0.00 H new ATOM 0 HA ILE A 27 9.597 -1.838 9.114 1.00 0.00 H new ATOM 0 HB ILE A 27 7.896 -0.789 7.525 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.007 -3.617 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.176 -2.642 8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.859 -2.025 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.085 -1.610 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.456 -3.271 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.088 -2.431 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.775 -0.869 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.619 -1.859 5.312 1.00 0.00 H new ATOM 384 N GLY A 28 6.692 -1.754 10.582 1.00 0.00 N ATOM 385 CA GLY A 28 5.901 -1.038 11.569 1.00 0.00 C ATOM 386 C GLY A 28 5.460 0.326 11.033 1.00 0.00 C ATOM 387 O GLY A 28 6.192 1.309 11.150 1.00 0.00 O ATOM 0 H GLY A 28 6.307 -2.655 10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.025 -1.629 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.484 -0.904 12.480 1.00 0.00 H new ATOM 391 N GLY A 29 4.267 0.343 10.458 1.00 0.00 N ATOM 392 CA GLY A 29 3.721 1.571 9.904 1.00 0.00 C ATOM 393 C GLY A 29 3.261 2.517 11.016 1.00 0.00 C ATOM 394 O GLY A 29 3.710 3.659 11.088 1.00 0.00 O ATOM 0 H GLY A 29 3.663 -0.473 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.475 2.064 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.881 1.337 9.250 1.00 0.00 H new ATOM 398 N MET A 30 2.372 2.006 11.855 1.00 0.00 N ATOM 399 CA MET A 30 1.847 2.790 12.959 1.00 0.00 C ATOM 400 C MET A 30 2.978 3.305 13.852 1.00 0.00 C ATOM 401 O MET A 30 3.052 4.499 14.138 1.00 0.00 O ATOM 402 CB MET A 30 0.893 1.929 13.790 1.00 0.00 C ATOM 403 CG MET A 30 -0.534 2.007 13.241 1.00 0.00 C ATOM 404 SD MET A 30 -1.239 3.607 13.600 1.00 0.00 S ATOM 405 CE MET A 30 -2.177 3.875 12.105 1.00 0.00 C ATOM 0 H MET A 30 2.002 1.058 11.792 1.00 0.00 H new ATOM 0 HA MET A 30 1.313 3.647 12.549 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.233 0.893 13.784 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.906 2.263 14.828 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.528 1.836 12.164 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.147 1.222 13.685 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.186 4.199 12.361 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.691 4.643 11.503 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.228 2.947 11.536 1.00 0.00 H new ATOM 413 N ILE A 31 3.830 2.380 14.267 1.00 0.00 N ATOM 414 CA ILE A 31 4.953 2.725 15.120 1.00 0.00 C ATOM 415 C ILE A 31 5.772 3.834 14.455 1.00 0.00 C ATOM 416 O ILE A 31 6.012 4.880 15.056 1.00 0.00 O ATOM 417 CB ILE A 31 5.771 1.478 15.462 1.00 0.00 C ATOM 418 CG1 ILE A 31 6.942 1.825 16.383 1.00 0.00 C ATOM 419 CG2 ILE A 31 6.233 0.761 14.192 1.00 0.00 C ATOM 420 CD1 ILE A 31 7.789 0.587 16.683 1.00 0.00 C ATOM 0 H ILE A 31 3.765 1.391 14.028 1.00 0.00 H new ATOM 0 HA ILE A 31 4.599 3.117 16.074 1.00 0.00 H new ATOM 0 HB ILE A 31 5.128 0.787 16.007 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.562 2.590 15.916 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.564 2.246 17.315 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.812 -0.122 14.463 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.364 0.459 13.608 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.853 1.434 13.599 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.615 0.861 17.340 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.172 -0.167 17.172 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.185 0.183 15.751 1.00 0.00 H new ATOM 431 N SER A 32 6.179 3.567 13.223 1.00 0.00 N ATOM 432 CA SER A 32 6.965 4.529 12.470 1.00 0.00 C ATOM 433 C SER A 32 6.367 5.928 12.622 1.00 0.00 C ATOM 434 O SER A 32 7.097 6.916 12.681 1.00 0.00 O ATOM 435 CB SER A 32 7.041 4.141 10.991 1.00 0.00 C ATOM 436 OG SER A 32 8.266 3.487 10.672 1.00 0.00 O ATOM 0 H SER A 32 5.979 2.698 12.727 1.00 0.00 H new ATOM 0 HA SER A 32 7.979 4.530 12.870 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.206 3.486 10.745 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.937 5.035 10.376 1.00 0.00 H new ATOM 0 HG SER A 32 8.141 2.516 10.720 1.00 0.00 H new ATOM 441 N GLY A 33 5.044 5.968 12.682 1.00 0.00 N ATOM 442 CA GLY A 33 4.339 7.230 12.827 1.00 0.00 C ATOM 443 C GLY A 33 4.472 7.772 14.251 1.00 0.00 C ATOM 444 O GLY A 33 4.565 8.982 14.453 1.00 0.00 O ATOM 0 H GLY A 33 4.442 5.146 12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.737 7.957 12.119 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.286 7.092 12.583 1.00 0.00 H new ATOM 448 N TRP A 34 4.477 6.851 15.203 1.00 0.00 N ATOM 449 CA TRP A 34 4.597 7.221 16.603 1.00 0.00 C ATOM 450 C TRP A 34 5.932 7.944 16.788 1.00 0.00 C ATOM 451 O TRP A 34 5.966 9.089 17.235 1.00 0.00 O ATOM 452 CB TRP A 34 4.447 5.997 17.509 1.00 0.00 C ATOM 453 CG TRP A 34 4.207 6.337 18.981 1.00 0.00 C ATOM 454 CD1 TRP A 34 3.338 7.219 19.492 1.00 0.00 C ATOM 455 CD2 TRP A 34 4.885 5.762 20.118 1.00 0.00 C ATOM 456 NE1 TRP A 34 3.405 7.255 20.870 1.00 0.00 N ATOM 457 CE2 TRP A 34 4.376 6.340 21.263 1.00 0.00 C ATOM 458 CE3 TRP A 34 5.896 4.786 20.177 1.00 0.00 C ATOM 459 CZ2 TRP A 34 4.815 6.008 22.549 1.00 0.00 C ATOM 460 CZ3 TRP A 34 6.323 4.465 21.471 1.00 0.00 C ATOM 461 CH2 TRP A 34 5.821 5.038 22.633 1.00 0.00 C ATOM 0 H TRP A 34 4.400 5.848 15.032 1.00 0.00 H new ATOM 0 HA TRP A 34 3.793 7.897 16.894 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.617 5.390 17.147 1.00 0.00 H new ATOM 0 HB3 TRP A 34 5.347 5.387 17.430 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.669 7.826 18.900 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.845 7.844 21.487 1.00 0.00 H new ATOM 0 HE3 TRP A 34 6.310 4.321 19.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.400 6.475 23.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 7.097 3.719 21.573 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.205 4.737 23.596 1.00 0.00 H new ATOM 471 N ALA A 35 7.001 7.244 16.435 1.00 0.00 N ATOM 472 CA ALA A 35 8.336 7.804 16.557 1.00 0.00 C ATOM 473 C ALA A 35 8.432 9.073 15.707 1.00 0.00 C ATOM 474 O ALA A 35 9.036 10.060 16.124 1.00 0.00 O ATOM 475 CB ALA A 35 9.370 6.752 16.152 1.00 0.00 C ATOM 0 H ALA A 35 6.969 6.294 16.065 1.00 0.00 H new ATOM 0 HA ALA A 35 8.542 8.083 17.590 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.372 7.172 16.244 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.280 5.883 16.804 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.196 6.450 15.119 1.00 0.00 H new ATOM 481 N SER A 36 7.826 9.004 14.530 1.00 0.00 N ATOM 482 CA SER A 36 7.836 10.135 13.617 1.00 0.00 C ATOM 483 C SER A 36 7.129 11.331 14.258 1.00 0.00 C ATOM 484 O SER A 36 7.515 12.477 14.035 1.00 0.00 O ATOM 485 CB SER A 36 7.170 9.776 12.288 1.00 0.00 C ATOM 486 OG SER A 36 8.115 9.317 11.324 1.00 0.00 O ATOM 0 H SER A 36 7.326 8.184 14.188 1.00 0.00 H new ATOM 0 HA SER A 36 8.873 10.400 13.413 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.419 9.004 12.456 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.648 10.649 11.897 1.00 0.00 H new ATOM 0 HG SER A 36 8.178 8.340 11.367 1.00 0.00 H new ATOM 491 N GLY A 37 6.107 11.022 15.043 1.00 0.00 N ATOM 492 CA GLY A 37 5.342 12.058 15.717 1.00 0.00 C ATOM 493 C GLY A 37 6.181 12.742 16.798 1.00 0.00 C ATOM 494 O GLY A 37 6.329 13.964 16.793 1.00 0.00 O ATOM 0 H GLY A 37 5.791 10.070 15.227 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.005 12.798 14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.449 11.622 16.166 1.00 0.00 H new ATOM 498 N LEU A 38 6.709 11.926 17.698 1.00 0.00 N ATOM 499 CA LEU A 38 7.530 12.438 18.782 1.00 0.00 C ATOM 500 C LEU A 38 8.794 13.076 18.202 1.00 0.00 C ATOM 501 O LEU A 38 9.150 14.197 18.563 1.00 0.00 O ATOM 502 CB LEU A 38 7.812 11.337 19.807 1.00 0.00 C ATOM 503 CG LEU A 38 8.506 10.083 19.272 1.00 0.00 C ATOM 504 CD1 LEU A 38 10.026 10.250 19.284 1.00 0.00 C ATOM 505 CD2 LEU A 38 8.059 8.839 20.040 1.00 0.00 C ATOM 0 H LEU A 38 6.584 10.914 17.699 1.00 0.00 H new ATOM 0 HA LEU A 38 6.999 13.219 19.325 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.428 11.758 20.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.866 11.039 20.260 1.00 0.00 H new ATOM 0 HG LEU A 38 8.206 9.944 18.233 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.495 9.344 18.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.304 11.097 18.657 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.364 10.428 20.305 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.567 7.962 19.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.309 8.953 21.095 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.981 8.714 19.934 1.00 0.00 H new ATOM 516 N ALA A 39 9.438 12.335 17.313 1.00 0.00 N ATOM 517 CA ALA A 39 10.654 12.813 16.679 1.00 0.00 C ATOM 518 C ALA A 39 10.322 14.008 15.783 1.00 0.00 C ATOM 519 O ALA A 39 11.150 14.899 15.597 1.00 0.00 O ATOM 520 CB ALA A 39 11.312 11.669 15.905 1.00 0.00 C ATOM 0 H ALA A 39 9.140 11.406 17.016 1.00 0.00 H new ATOM 0 HA ALA A 39 11.369 13.152 17.429 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.224 12.029 15.430 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.556 10.858 16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.625 11.304 15.142 1.00 0.00 H new ATOM 526 N GLY A 40 9.109 13.988 15.251 1.00 0.00 N ATOM 527 CA GLY A 40 8.655 15.058 14.379 1.00 0.00 C ATOM 528 C GLY A 40 8.439 16.353 15.166 1.00 0.00 C ATOM 529 O GLY A 40 7.303 16.757 15.403 1.00 0.00 O ATOM 0 H GLY A 40 8.426 13.247 15.407 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.389 15.226 13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.725 14.765 13.892 1.00 0.00 H new ATOM 533 N MET A 41 9.549 16.966 15.551 1.00 0.00 N ATOM 534 CA MET A 41 9.496 18.206 16.305 1.00 0.00 C ATOM 535 C MET A 41 9.246 19.400 15.383 1.00 0.00 C ATOM 536 O MET A 41 9.390 20.549 15.796 1.00 0.00 O ATOM 537 CB MET A 41 10.816 18.406 17.053 1.00 0.00 C ATOM 538 CG MET A 41 10.568 18.878 18.487 1.00 0.00 C ATOM 539 SD MET A 41 11.852 20.012 18.987 1.00 0.00 S ATOM 540 CE MET A 41 10.926 21.538 19.009 1.00 0.00 C ATOM 0 H MET A 41 10.491 16.626 15.354 1.00 0.00 H new ATOM 0 HA MET A 41 8.671 18.141 17.015 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.376 17.471 17.066 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.429 19.137 16.527 1.00 0.00 H new ATOM 0 HG2 MET A 41 9.595 19.364 18.555 1.00 0.00 H new ATOM 0 HG3 MET A 41 10.545 18.022 19.161 1.00 0.00 H new ATOM 0 HE1 MET A 41 11.582 22.357 19.304 1.00 0.00 H new ATOM 0 HE2 MET A 41 10.524 21.734 18.015 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.106 21.456 19.722 1.00 0.00 H new TER 548 MET A 41