USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 57 THR OG1 : rot 120:sc= -0.0707 USER MOD Set 1.2: A 81 ASN : amide:sc= -6.13! K(o=-6.2!,f=0.81) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -21! C(o=-21!,f=-30!) USER MOD Set 2.2: A 51 TYR OH : rot 166:sc= 0.529 USER MOD Set 2.3: A 82 SER OG : rot -113:sc= -0.606! USER MOD Set 3.1: A 8 HIS : no HE2:sc= -1.32 K(o=-1.4,f=-7.7!) USER MOD Set 3.2: A 105 GLN : amide:sc= -0.0315 X(o=-1.4,f=-1.4) USER MOD Single : A 1 SER N :NH3+ -127:sc= 0.674 (180deg=0.0046) USER MOD Single : A 1 SER OG : rot 160:sc= -0.127 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 156:sc= 0.395 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -141:sc= -2.78 (180deg=-4.38!) USER MOD Single : A 25 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.29) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -15.2! C(o=-15!,f=-15!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0878 X(o=-0.088,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0126 (180deg=-0.215) USER MOD Single : A 64 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.29) USER MOD Single : A 70 MET CE :methyl 147:sc= -0.386 (180deg=-1.93!) USER MOD Single : A 73 CYS SG : rot 61:sc= 0.0655 USER MOD Single : A 75 THR OG1 : rot 91:sc= -5.1! USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 1.32 (180deg=0.998) USER MOD Single : A 85 CYS SG : rot 180:sc= -4.34! USER MOD Single : A 87 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.0061) USER MOD Single : A 90 MET CE :methyl -160:sc= -11.5! (180deg=-13.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0552 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.903 17.771 13.352 1.00 0.00 N ATOM 2 CA SER A 1 14.438 18.044 13.327 1.00 0.00 C ATOM 3 C SER A 1 14.201 19.532 13.059 1.00 0.00 C ATOM 4 O SER A 1 15.118 20.329 13.071 1.00 0.00 O ATOM 5 CB SER A 1 13.826 17.667 14.676 1.00 0.00 C ATOM 6 OG SER A 1 14.863 17.504 15.634 1.00 0.00 O ATOM 0 H1 SER A 1 16.123 16.996 12.694 1.00 0.00 H new ATOM 0 H2 SER A 1 16.420 18.626 13.066 1.00 0.00 H new ATOM 0 H3 SER A 1 16.189 17.499 14.314 1.00 0.00 H new ATOM 0 HA SER A 1 13.972 17.453 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.132 18.442 15.003 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.253 16.744 14.583 1.00 0.00 H new ATOM 0 HG SER A 1 14.490 17.582 16.537 1.00 0.00 H new ATOM 14 N LYS A 2 12.976 19.911 12.817 1.00 0.00 N ATOM 15 CA LYS A 2 12.679 21.347 12.550 1.00 0.00 C ATOM 16 C LYS A 2 11.287 21.681 13.083 1.00 0.00 C ATOM 17 O LYS A 2 10.524 20.808 13.445 1.00 0.00 O ATOM 18 CB LYS A 2 12.726 21.607 11.043 1.00 0.00 C ATOM 19 CG LYS A 2 13.496 22.900 10.771 1.00 0.00 C ATOM 20 CD LYS A 2 14.498 22.670 9.638 1.00 0.00 C ATOM 21 CE LYS A 2 13.763 22.684 8.296 1.00 0.00 C ATOM 22 NZ LYS A 2 14.745 22.503 7.190 1.00 0.00 N ATOM 0 H LYS A 2 12.168 19.289 12.793 1.00 0.00 H new ATOM 0 HA LYS A 2 13.420 21.973 13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.207 20.771 10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.714 21.683 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.804 23.698 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.018 23.221 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.264 23.445 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.007 21.716 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.018 21.889 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.229 23.626 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.246 22.512 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.440 23.277 7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.236 21.593 7.307 1.00 0.00 H new ATOM 36 N VAL A 3 10.954 22.940 13.145 1.00 0.00 N ATOM 37 CA VAL A 3 9.621 23.329 13.665 1.00 0.00 C ATOM 38 C VAL A 3 9.204 24.674 13.061 1.00 0.00 C ATOM 39 O VAL A 3 9.941 25.634 13.092 1.00 0.00 O ATOM 40 CB VAL A 3 9.710 23.425 15.196 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.886 24.606 15.724 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.182 22.126 15.792 1.00 0.00 C ATOM 0 H VAL A 3 11.551 23.715 12.857 1.00 0.00 H new ATOM 0 HA VAL A 3 8.872 22.587 13.390 1.00 0.00 H new ATOM 0 HB VAL A 3 10.749 23.585 15.484 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.967 24.650 16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.263 25.534 15.294 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.841 24.475 15.443 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.237 22.176 16.879 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.145 21.981 15.488 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.785 21.291 15.436 1.00 0.00 H new ATOM 52 N VAL A 4 8.018 24.749 12.531 1.00 0.00 N ATOM 53 CA VAL A 4 7.541 26.032 11.942 1.00 0.00 C ATOM 54 C VAL A 4 6.154 26.342 12.504 1.00 0.00 C ATOM 55 O VAL A 4 5.309 25.478 12.584 1.00 0.00 O ATOM 56 CB VAL A 4 7.463 25.897 10.419 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.804 27.143 9.823 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.876 25.749 9.850 1.00 0.00 C ATOM 0 H VAL A 4 7.355 23.976 12.479 1.00 0.00 H new ATOM 0 HA VAL A 4 8.231 26.838 12.192 1.00 0.00 H new ATOM 0 HB VAL A 4 6.870 25.018 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.750 27.043 8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.798 27.251 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.394 28.024 10.077 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.823 25.653 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.466 26.628 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.346 24.860 10.271 1.00 0.00 H new ATOM 68 N TYR A 5 5.906 27.561 12.898 1.00 0.00 N ATOM 69 CA TYR A 5 4.565 27.891 13.453 1.00 0.00 C ATOM 70 C TYR A 5 3.760 28.654 12.410 1.00 0.00 C ATOM 71 O TYR A 5 4.304 29.312 11.547 1.00 0.00 O ATOM 72 CB TYR A 5 4.684 28.783 14.693 1.00 0.00 C ATOM 73 CG TYR A 5 5.565 28.153 15.747 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.891 27.801 15.460 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.053 27.944 17.032 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.693 27.237 16.455 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.859 27.383 18.026 1.00 0.00 C ATOM 78 CZ TYR A 5 7.179 27.028 17.737 1.00 0.00 C ATOM 79 OH TYR A 5 7.977 26.478 18.719 1.00 0.00 O ATOM 0 H TYR A 5 6.568 28.336 12.860 1.00 0.00 H new ATOM 0 HA TYR A 5 4.076 26.955 13.723 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.093 29.752 14.407 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.693 28.965 15.108 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.292 27.966 14.471 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.032 28.217 17.256 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.713 26.962 16.232 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.462 27.224 19.018 1.00 0.00 H new ATOM 0 HH TYR A 5 7.636 26.737 19.601 1.00 0.00 H new ATOM 89 N VAL A 6 2.467 28.591 12.502 1.00 0.00 N ATOM 90 CA VAL A 6 1.615 29.333 11.536 1.00 0.00 C ATOM 91 C VAL A 6 0.501 30.031 12.298 1.00 0.00 C ATOM 92 O VAL A 6 -0.166 29.432 13.116 1.00 0.00 O ATOM 93 CB VAL A 6 0.976 28.372 10.530 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.567 29.146 9.273 1.00 0.00 C ATOM 95 CG2 VAL A 6 1.967 27.272 10.157 1.00 0.00 C ATOM 0 H VAL A 6 1.959 28.056 13.207 1.00 0.00 H new ATOM 0 HA VAL A 6 2.237 30.052 11.003 1.00 0.00 H new ATOM 0 HB VAL A 6 0.094 27.917 10.980 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.112 28.462 8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.151 29.921 9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.448 29.606 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.504 26.593 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.856 27.719 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.250 26.718 11.052 1.00 0.00 H new ATOM 105 N SER A 7 0.263 31.277 12.023 1.00 0.00 N ATOM 106 CA SER A 7 -0.839 31.966 12.712 1.00 0.00 C ATOM 107 C SER A 7 -2.113 31.553 12.000 1.00 0.00 C ATOM 108 O SER A 7 -2.088 30.723 11.113 1.00 0.00 O ATOM 109 CB SER A 7 -0.655 33.479 12.609 1.00 0.00 C ATOM 110 OG SER A 7 -0.360 34.006 13.895 1.00 0.00 O ATOM 0 H SER A 7 0.785 31.842 11.353 1.00 0.00 H new ATOM 0 HA SER A 7 -0.870 31.703 13.769 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.152 33.712 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.560 33.941 12.213 1.00 0.00 H new ATOM 0 HG SER A 7 -0.240 34.977 13.831 1.00 0.00 H new ATOM 116 N HIS A 8 -3.221 32.119 12.352 1.00 0.00 N ATOM 117 CA HIS A 8 -4.466 31.744 11.653 1.00 0.00 C ATOM 118 C HIS A 8 -4.171 31.846 10.163 1.00 0.00 C ATOM 119 O HIS A 8 -3.204 32.461 9.766 1.00 0.00 O ATOM 120 CB HIS A 8 -5.634 32.677 12.022 1.00 0.00 C ATOM 121 CG HIS A 8 -5.423 33.311 13.372 1.00 0.00 C ATOM 122 ND1 HIS A 8 -4.525 34.343 13.566 1.00 0.00 N ATOM 123 CD2 HIS A 8 -6.002 33.084 14.597 1.00 0.00 C ATOM 124 CE1 HIS A 8 -4.587 34.701 14.861 1.00 0.00 C ATOM 125 NE2 HIS A 8 -5.472 33.964 15.536 1.00 0.00 N ATOM 0 H HIS A 8 -3.319 32.819 13.087 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.769 30.737 11.941 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.734 33.454 11.265 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.566 32.112 12.025 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -3.923 34.759 12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.754 32.336 14.800 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.993 35.489 15.301 1.00 0.00 H new ATOM 133 N ASP A 9 -4.971 31.226 9.360 1.00 0.00 N ATOM 134 CA ASP A 9 -4.748 31.241 7.876 1.00 0.00 C ATOM 135 C ASP A 9 -4.056 32.541 7.444 1.00 0.00 C ATOM 136 O ASP A 9 -4.700 33.528 7.151 1.00 0.00 O ATOM 137 CB ASP A 9 -6.097 31.128 7.163 1.00 0.00 C ATOM 138 CG ASP A 9 -5.871 30.736 5.701 1.00 0.00 C ATOM 139 OD1 ASP A 9 -4.742 30.835 5.250 1.00 0.00 O ATOM 140 OD2 ASP A 9 -6.831 30.344 5.058 1.00 0.00 O ATOM 0 H ASP A 9 -5.789 30.696 9.662 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.109 30.399 7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.721 30.383 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.630 32.077 7.218 1.00 0.00 H new ATOM 145 N GLY A 10 -2.743 32.552 7.407 1.00 0.00 N ATOM 146 CA GLY A 10 -2.026 33.796 7.000 1.00 0.00 C ATOM 147 C GLY A 10 -0.546 33.498 6.728 1.00 0.00 C ATOM 148 O GLY A 10 -0.175 33.095 5.643 1.00 0.00 O ATOM 0 H GLY A 10 -2.145 31.759 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.489 34.214 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.114 34.547 7.785 1.00 0.00 H new ATOM 152 N THR A 11 0.304 33.706 7.700 1.00 0.00 N ATOM 153 CA THR A 11 1.757 33.451 7.496 1.00 0.00 C ATOM 154 C THR A 11 2.267 32.486 8.564 1.00 0.00 C ATOM 155 O THR A 11 1.524 32.011 9.399 1.00 0.00 O ATOM 156 CB THR A 11 2.521 34.775 7.601 1.00 0.00 C ATOM 157 OG1 THR A 11 1.734 35.818 7.043 1.00 0.00 O ATOM 158 CG2 THR A 11 3.844 34.669 6.841 1.00 0.00 C ATOM 0 H THR A 11 0.051 34.043 8.629 1.00 0.00 H new ATOM 0 HA THR A 11 1.913 33.012 6.511 1.00 0.00 H new ATOM 0 HB THR A 11 2.726 34.993 8.649 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.220 36.666 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.384 35.612 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.447 33.869 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.644 34.450 5.792 1.00 0.00 H new ATOM 166 N ARG A 12 3.533 32.191 8.531 1.00 0.00 N ATOM 167 CA ARG A 12 4.114 31.249 9.531 1.00 0.00 C ATOM 168 C ARG A 12 5.623 31.489 9.664 1.00 0.00 C ATOM 169 O ARG A 12 6.306 31.756 8.695 1.00 0.00 O ATOM 170 CB ARG A 12 3.873 29.811 9.064 1.00 0.00 C ATOM 171 CG ARG A 12 3.941 29.751 7.537 1.00 0.00 C ATOM 172 CD ARG A 12 4.830 28.581 7.111 1.00 0.00 C ATOM 173 NE ARG A 12 3.976 27.451 6.647 1.00 0.00 N ATOM 174 CZ ARG A 12 4.502 26.468 5.965 1.00 0.00 C ATOM 175 NH1 ARG A 12 5.778 26.471 5.686 1.00 0.00 N ATOM 176 NH2 ARG A 12 3.749 25.481 5.562 1.00 0.00 N ATOM 0 H ARG A 12 4.197 32.562 7.852 1.00 0.00 H new ATOM 0 HA ARG A 12 3.639 31.414 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.620 29.147 9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.899 29.464 9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.940 29.631 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.339 30.686 7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.503 28.894 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.453 28.261 7.946 1.00 0.00 H new ATOM 0 HE ARG A 12 2.979 27.445 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.367 27.242 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.185 25.702 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.752 25.478 5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.157 24.713 5.030 1.00 0.00 H new ATOM 190 N ARG A 13 6.150 31.380 10.857 1.00 0.00 N ATOM 191 CA ARG A 13 7.618 31.584 11.051 1.00 0.00 C ATOM 192 C ARG A 13 8.299 30.220 11.144 1.00 0.00 C ATOM 193 O ARG A 13 7.653 29.192 11.121 1.00 0.00 O ATOM 194 CB ARG A 13 7.882 32.371 12.340 1.00 0.00 C ATOM 195 CG ARG A 13 6.811 32.037 13.380 1.00 0.00 C ATOM 196 CD ARG A 13 5.613 32.970 13.198 1.00 0.00 C ATOM 197 NE ARG A 13 5.751 34.141 14.108 1.00 0.00 N ATOM 198 CZ ARG A 13 5.017 35.206 13.925 1.00 0.00 C ATOM 199 NH1 ARG A 13 4.157 35.250 12.942 1.00 0.00 N ATOM 200 NH2 ARG A 13 5.142 36.229 14.726 1.00 0.00 N ATOM 0 H ARG A 13 5.628 31.159 11.705 1.00 0.00 H new ATOM 0 HA ARG A 13 8.016 32.148 10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.870 32.126 12.730 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.878 33.441 12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.496 30.999 13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.219 32.144 14.385 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.554 33.306 12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.687 32.436 13.413 1.00 0.00 H new ATOM 0 HE ARG A 13 6.421 34.111 14.877 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.058 34.451 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.585 36.083 12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.812 36.196 15.494 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.569 37.061 14.584 1.00 0.00 H new ATOM 214 N GLN A 14 9.599 30.197 11.239 1.00 0.00 N ATOM 215 CA GLN A 14 10.308 28.888 11.321 1.00 0.00 C ATOM 216 C GLN A 14 11.336 28.904 12.458 1.00 0.00 C ATOM 217 O GLN A 14 11.760 29.945 12.921 1.00 0.00 O ATOM 218 CB GLN A 14 11.025 28.618 9.997 1.00 0.00 C ATOM 219 CG GLN A 14 11.800 29.867 9.572 1.00 0.00 C ATOM 220 CD GLN A 14 11.248 30.383 8.242 1.00 0.00 C ATOM 221 OE1 GLN A 14 10.092 30.177 7.930 1.00 0.00 O ATOM 222 NE2 GLN A 14 12.031 31.051 7.440 1.00 0.00 N ATOM 0 H GLN A 14 10.199 31.022 11.263 1.00 0.00 H new ATOM 0 HA GLN A 14 9.577 28.104 11.518 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.706 27.774 10.106 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.302 28.347 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.715 30.639 10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.860 29.634 9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.002 31.224 7.702 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.673 31.400 6.551 1.00 0.00 H new ATOM 231 N LEU A 15 11.746 27.743 12.895 1.00 0.00 N ATOM 232 CA LEU A 15 12.756 27.646 13.988 1.00 0.00 C ATOM 233 C LEU A 15 13.087 26.181 14.232 1.00 0.00 C ATOM 234 O LEU A 15 12.622 25.300 13.538 1.00 0.00 O ATOM 235 CB LEU A 15 12.222 28.262 15.283 1.00 0.00 C ATOM 236 CG LEU A 15 10.842 27.704 15.612 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.832 27.228 17.067 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.792 28.805 15.429 1.00 0.00 C ATOM 0 H LEU A 15 11.419 26.846 12.536 1.00 0.00 H new ATOM 0 HA LEU A 15 13.649 28.193 13.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.910 28.053 16.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.167 29.346 15.181 1.00 0.00 H new ATOM 0 HG LEU A 15 10.612 26.870 14.949 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.848 26.827 17.312 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.584 26.451 17.201 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.056 28.067 17.726 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.804 28.408 15.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.017 29.637 16.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.807 29.154 14.396 1.00 0.00 H new ATOM 250 N ASP A 16 13.895 25.919 15.210 1.00 0.00 N ATOM 251 CA ASP A 16 14.274 24.507 15.508 1.00 0.00 C ATOM 252 C ASP A 16 14.054 24.209 16.994 1.00 0.00 C ATOM 253 O ASP A 16 14.724 24.750 17.851 1.00 0.00 O ATOM 254 CB ASP A 16 15.750 24.296 15.162 1.00 0.00 C ATOM 255 CG ASP A 16 16.021 22.802 14.973 1.00 0.00 C ATOM 256 OD1 ASP A 16 15.623 22.034 15.833 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.622 22.452 13.970 1.00 0.00 O ATOM 0 H ASP A 16 14.314 26.619 15.822 1.00 0.00 H new ATOM 0 HA ASP A 16 13.655 23.836 14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.003 24.840 14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.381 24.693 15.957 1.00 0.00 H new ATOM 262 N VAL A 17 13.127 23.342 17.306 1.00 0.00 N ATOM 263 CA VAL A 17 12.874 23.000 18.735 1.00 0.00 C ATOM 264 C VAL A 17 13.955 22.028 19.215 1.00 0.00 C ATOM 265 O VAL A 17 14.274 21.063 18.549 1.00 0.00 O ATOM 266 CB VAL A 17 11.497 22.344 18.869 1.00 0.00 C ATOM 267 CG1 VAL A 17 11.382 21.655 20.231 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.414 23.417 18.754 1.00 0.00 C ATOM 0 H VAL A 17 12.535 22.856 16.632 1.00 0.00 H new ATOM 0 HA VAL A 17 12.900 23.906 19.341 1.00 0.00 H new ATOM 0 HB VAL A 17 11.371 21.604 18.078 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.400 21.190 20.322 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.155 20.892 20.319 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.509 22.392 21.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.432 22.954 18.849 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.546 24.154 19.546 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.491 23.909 17.785 1.00 0.00 H new ATOM 278 N ALA A 18 14.524 22.273 20.363 1.00 0.00 N ATOM 279 CA ALA A 18 15.584 21.360 20.877 1.00 0.00 C ATOM 280 C ALA A 18 14.958 20.022 21.271 1.00 0.00 C ATOM 281 O ALA A 18 13.753 19.871 21.291 1.00 0.00 O ATOM 282 CB ALA A 18 16.252 21.992 22.100 1.00 0.00 C ATOM 0 H ALA A 18 14.301 23.064 20.967 1.00 0.00 H new ATOM 0 HA ALA A 18 16.331 21.196 20.100 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.027 21.325 22.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.699 22.945 21.818 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.506 22.157 22.878 1.00 0.00 H new ATOM 288 N ASP A 19 15.768 19.049 21.588 1.00 0.00 N ATOM 289 CA ASP A 19 15.225 17.727 21.983 1.00 0.00 C ATOM 290 C ASP A 19 14.745 17.797 23.427 1.00 0.00 C ATOM 291 O ASP A 19 15.474 18.167 24.325 1.00 0.00 O ATOM 292 CB ASP A 19 16.310 16.659 21.860 1.00 0.00 C ATOM 293 CG ASP A 19 16.724 16.516 20.394 1.00 0.00 C ATOM 294 OD1 ASP A 19 15.914 16.827 19.537 1.00 0.00 O ATOM 295 OD2 ASP A 19 17.844 16.096 20.154 1.00 0.00 O ATOM 0 H ASP A 19 16.786 19.117 21.589 1.00 0.00 H new ATOM 0 HA ASP A 19 14.394 17.467 21.327 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.173 16.931 22.467 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.941 15.706 22.239 1.00 0.00 H new ATOM 300 N GLY A 20 13.519 17.446 23.647 1.00 0.00 N ATOM 301 CA GLY A 20 12.960 17.488 25.027 1.00 0.00 C ATOM 302 C GLY A 20 12.428 18.892 25.314 1.00 0.00 C ATOM 303 O GLY A 20 12.583 19.417 26.399 1.00 0.00 O ATOM 0 H GLY A 20 12.869 17.128 22.928 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.160 16.755 25.130 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.730 17.223 25.752 1.00 0.00 H new ATOM 307 N VAL A 21 11.804 19.506 24.347 1.00 0.00 N ATOM 308 CA VAL A 21 11.263 20.879 24.559 1.00 0.00 C ATOM 309 C VAL A 21 9.813 20.931 24.079 1.00 0.00 C ATOM 310 O VAL A 21 9.377 20.107 23.303 1.00 0.00 O ATOM 311 CB VAL A 21 12.092 21.885 23.756 1.00 0.00 C ATOM 312 CG1 VAL A 21 12.039 23.255 24.434 1.00 0.00 C ATOM 313 CG2 VAL A 21 13.544 21.410 23.682 1.00 0.00 C ATOM 0 H VAL A 21 11.645 19.116 23.418 1.00 0.00 H new ATOM 0 HA VAL A 21 11.311 21.127 25.619 1.00 0.00 H new ATOM 0 HB VAL A 21 11.683 21.964 22.749 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.630 23.968 23.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.005 23.597 24.483 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.444 23.178 25.443 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.133 22.127 23.110 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.952 21.327 24.690 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.584 20.436 23.194 1.00 0.00 H new ATOM 323 N SER A 22 9.068 21.901 24.523 1.00 0.00 N ATOM 324 CA SER A 22 7.651 22.015 24.080 1.00 0.00 C ATOM 325 C SER A 22 7.569 23.060 22.971 1.00 0.00 C ATOM 326 O SER A 22 8.152 24.122 23.068 1.00 0.00 O ATOM 327 CB SER A 22 6.780 22.450 25.259 1.00 0.00 C ATOM 328 OG SER A 22 7.414 22.076 26.475 1.00 0.00 O ATOM 0 H SER A 22 9.378 22.622 25.175 1.00 0.00 H new ATOM 0 HA SER A 22 7.297 21.052 23.711 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.625 23.529 25.233 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.797 21.985 25.190 1.00 0.00 H new ATOM 0 HG SER A 22 6.859 22.355 27.233 1.00 0.00 H new ATOM 334 N LEU A 23 6.859 22.778 21.913 1.00 0.00 N ATOM 335 CA LEU A 23 6.761 23.775 20.814 1.00 0.00 C ATOM 336 C LEU A 23 6.472 25.146 21.424 1.00 0.00 C ATOM 337 O LEU A 23 6.813 26.171 20.867 1.00 0.00 O ATOM 338 CB LEU A 23 5.636 23.383 19.853 1.00 0.00 C ATOM 339 CG LEU A 23 6.231 22.683 18.628 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.125 22.408 17.609 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.297 23.578 17.992 1.00 0.00 C ATOM 0 H LEU A 23 6.347 21.908 21.764 1.00 0.00 H new ATOM 0 HA LEU A 23 7.697 23.807 20.257 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.929 22.723 20.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.081 24.269 19.545 1.00 0.00 H new ATOM 0 HG LEU A 23 6.685 21.741 18.936 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.549 21.910 16.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.366 21.768 18.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.670 23.350 17.303 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.719 23.078 17.120 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.845 24.521 17.686 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.088 23.773 18.717 1.00 0.00 H new ATOM 353 N MET A 24 5.861 25.171 22.578 1.00 0.00 N ATOM 354 CA MET A 24 5.569 26.471 23.239 1.00 0.00 C ATOM 355 C MET A 24 6.878 27.050 23.775 1.00 0.00 C ATOM 356 O MET A 24 7.189 28.205 23.569 1.00 0.00 O ATOM 357 CB MET A 24 4.592 26.252 24.396 1.00 0.00 C ATOM 358 CG MET A 24 3.282 26.988 24.106 1.00 0.00 C ATOM 359 SD MET A 24 2.783 27.931 25.568 1.00 0.00 S ATOM 360 CE MET A 24 2.877 29.576 24.820 1.00 0.00 C ATOM 0 H MET A 24 5.552 24.345 23.090 1.00 0.00 H new ATOM 0 HA MET A 24 5.121 27.161 22.523 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.401 25.187 24.528 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.027 26.616 25.327 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.409 27.657 23.255 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.503 26.274 23.837 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.288 30.281 25.542 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.521 29.540 23.941 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.879 29.899 24.525 1.00 0.00 H new ATOM 370 N GLN A 25 7.656 26.246 24.453 1.00 0.00 N ATOM 371 CA GLN A 25 8.953 26.743 24.990 1.00 0.00 C ATOM 372 C GLN A 25 9.738 27.400 23.855 1.00 0.00 C ATOM 373 O GLN A 25 10.132 28.546 23.942 1.00 0.00 O ATOM 374 CB GLN A 25 9.756 25.570 25.556 1.00 0.00 C ATOM 375 CG GLN A 25 11.134 26.062 26.003 1.00 0.00 C ATOM 376 CD GLN A 25 11.036 26.648 27.412 1.00 0.00 C ATOM 377 OE1 GLN A 25 10.575 25.991 28.325 1.00 0.00 O ATOM 378 NE2 GLN A 25 11.452 27.865 27.630 1.00 0.00 N ATOM 0 H GLN A 25 7.448 25.268 24.657 1.00 0.00 H new ATOM 0 HA GLN A 25 8.772 27.468 25.783 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.226 25.126 26.399 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.864 24.791 24.801 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.848 25.238 25.989 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.505 26.816 25.309 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.839 28.417 26.864 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.390 28.265 28.566 1.00 0.00 H new ATOM 387 N ALA A 26 9.959 26.688 22.781 1.00 0.00 N ATOM 388 CA ALA A 26 10.704 27.286 21.638 1.00 0.00 C ATOM 389 C ALA A 26 9.967 28.542 21.175 1.00 0.00 C ATOM 390 O ALA A 26 10.556 29.470 20.659 1.00 0.00 O ATOM 391 CB ALA A 26 10.771 26.281 20.485 1.00 0.00 C ATOM 0 H ALA A 26 9.657 25.723 22.648 1.00 0.00 H new ATOM 0 HA ALA A 26 11.717 27.541 21.950 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.316 26.721 19.650 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.284 25.379 20.818 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.761 26.027 20.165 1.00 0.00 H new ATOM 397 N ALA A 27 8.677 28.575 21.364 1.00 0.00 N ATOM 398 CA ALA A 27 7.887 29.764 20.945 1.00 0.00 C ATOM 399 C ALA A 27 8.257 30.959 21.828 1.00 0.00 C ATOM 400 O ALA A 27 8.266 32.088 21.387 1.00 0.00 O ATOM 401 CB ALA A 27 6.396 29.458 21.101 1.00 0.00 C ATOM 0 H ALA A 27 8.134 27.825 21.793 1.00 0.00 H new ATOM 0 HA ALA A 27 8.106 30.001 19.904 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.812 30.326 20.795 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.132 28.605 20.476 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.180 29.224 22.143 1.00 0.00 H new ATOM 407 N VAL A 28 8.560 30.719 23.074 1.00 0.00 N ATOM 408 CA VAL A 28 8.926 31.845 23.982 1.00 0.00 C ATOM 409 C VAL A 28 10.075 32.645 23.365 1.00 0.00 C ATOM 410 O VAL A 28 10.105 33.858 23.428 1.00 0.00 O ATOM 411 CB VAL A 28 9.364 31.285 25.336 1.00 0.00 C ATOM 412 CG1 VAL A 28 9.967 32.408 26.182 1.00 0.00 C ATOM 413 CG2 VAL A 28 8.150 30.698 26.060 1.00 0.00 C ATOM 0 H VAL A 28 8.570 29.794 23.503 1.00 0.00 H new ATOM 0 HA VAL A 28 8.063 32.496 24.120 1.00 0.00 H new ATOM 0 HB VAL A 28 10.110 30.505 25.183 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.279 32.009 27.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.831 32.828 25.667 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.221 33.188 26.336 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.460 30.298 27.025 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.405 31.479 26.213 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.719 29.898 25.458 1.00 0.00 H new ATOM 423 N SER A 29 11.021 31.973 22.768 1.00 0.00 N ATOM 424 CA SER A 29 12.170 32.689 22.144 1.00 0.00 C ATOM 425 C SER A 29 11.748 33.235 20.782 1.00 0.00 C ATOM 426 O SER A 29 11.918 34.402 20.486 1.00 0.00 O ATOM 427 CB SER A 29 13.321 31.712 21.945 1.00 0.00 C ATOM 428 OG SER A 29 14.546 32.430 21.891 1.00 0.00 O ATOM 0 H SER A 29 11.048 30.957 22.685 1.00 0.00 H new ATOM 0 HA SER A 29 12.482 33.508 22.792 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.345 30.991 22.762 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.177 31.146 21.024 1.00 0.00 H new ATOM 0 HG SER A 29 15.288 31.802 21.765 1.00 0.00 H new ATOM 434 N ASN A 30 11.196 32.395 19.949 1.00 0.00 N ATOM 435 CA ASN A 30 10.758 32.854 18.601 1.00 0.00 C ATOM 436 C ASN A 30 9.738 33.984 18.751 1.00 0.00 C ATOM 437 O ASN A 30 9.420 34.677 17.805 1.00 0.00 O ATOM 438 CB ASN A 30 10.116 31.684 17.854 1.00 0.00 C ATOM 439 CG ASN A 30 11.208 30.840 17.196 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.645 31.137 16.102 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.671 29.792 17.822 1.00 0.00 N ATOM 0 H ASN A 30 11.029 31.408 20.145 1.00 0.00 H new ATOM 0 HA ASN A 30 11.620 33.218 18.042 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.535 31.072 18.544 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.424 32.056 17.098 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.400 29.222 17.393 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.304 29.543 18.740 1.00 0.00 H new ATOM 448 N GLY A 31 9.223 34.175 19.934 1.00 0.00 N ATOM 449 CA GLY A 31 8.223 35.261 20.146 1.00 0.00 C ATOM 450 C GLY A 31 6.840 34.780 19.701 1.00 0.00 C ATOM 451 O GLY A 31 5.923 35.560 19.536 1.00 0.00 O ATOM 0 H GLY A 31 9.451 33.627 20.763 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.199 35.546 21.198 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.510 36.148 19.581 1.00 0.00 H new ATOM 455 N ILE A 32 6.682 33.499 19.509 1.00 0.00 N ATOM 456 CA ILE A 32 5.357 32.964 19.079 1.00 0.00 C ATOM 457 C ILE A 32 4.542 32.619 20.315 1.00 0.00 C ATOM 458 O ILE A 32 3.339 32.777 20.352 1.00 0.00 O ATOM 459 CB ILE A 32 5.554 31.709 18.225 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.898 31.797 17.507 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.433 31.609 17.189 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.040 30.625 16.536 1.00 0.00 C ATOM 0 H ILE A 32 7.413 32.798 19.631 1.00 0.00 H new ATOM 0 HA ILE A 32 4.833 33.714 18.487 1.00 0.00 H new ATOM 0 HB ILE A 32 5.533 30.827 18.865 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.972 32.741 16.967 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.711 31.781 18.233 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.576 30.715 16.583 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.471 31.552 17.698 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.452 32.489 16.547 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.000 30.690 16.025 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.986 29.687 17.088 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.235 30.661 15.802 1.00 0.00 H new ATOM 474 N TYR A 33 5.196 32.165 21.335 1.00 0.00 N ATOM 475 CA TYR A 33 4.469 31.828 22.587 1.00 0.00 C ATOM 476 C TYR A 33 3.615 33.039 22.963 1.00 0.00 C ATOM 477 O TYR A 33 2.505 32.917 23.443 1.00 0.00 O ATOM 478 CB TYR A 33 5.490 31.492 23.696 1.00 0.00 C ATOM 479 CG TYR A 33 5.563 32.591 24.738 1.00 0.00 C ATOM 480 CD1 TYR A 33 6.166 33.815 24.425 1.00 0.00 C ATOM 481 CD2 TYR A 33 5.026 32.382 26.014 1.00 0.00 C ATOM 482 CE1 TYR A 33 6.233 34.830 25.388 1.00 0.00 C ATOM 483 CE2 TYR A 33 5.093 33.396 26.977 1.00 0.00 C ATOM 484 CZ TYR A 33 5.696 34.620 26.664 1.00 0.00 C ATOM 485 OH TYR A 33 5.762 35.620 27.613 1.00 0.00 O ATOM 0 H TYR A 33 6.204 32.011 21.361 1.00 0.00 H new ATOM 0 HA TYR A 33 3.826 30.958 22.455 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.212 30.553 24.175 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.475 31.344 23.252 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.580 33.977 23.441 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.560 31.438 26.256 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.699 35.774 25.146 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.679 33.234 27.961 1.00 0.00 H new ATOM 0 HH TYR A 33 5.342 35.311 28.443 1.00 0.00 H new ATOM 495 N ASP A 34 4.139 34.210 22.734 1.00 0.00 N ATOM 496 CA ASP A 34 3.384 35.448 23.057 1.00 0.00 C ATOM 497 C ASP A 34 2.421 35.767 21.911 1.00 0.00 C ATOM 498 O ASP A 34 1.398 36.392 22.111 1.00 0.00 O ATOM 499 CB ASP A 34 4.362 36.610 23.240 1.00 0.00 C ATOM 500 CG ASP A 34 3.865 37.524 24.362 1.00 0.00 C ATOM 501 OD1 ASP A 34 2.676 37.505 24.631 1.00 0.00 O ATOM 502 OD2 ASP A 34 4.683 38.228 24.931 1.00 0.00 O ATOM 0 H ASP A 34 5.065 34.362 22.334 1.00 0.00 H new ATOM 0 HA ASP A 34 2.820 35.301 23.978 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.355 36.229 23.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.452 37.173 22.311 1.00 0.00 H new ATOM 507 N ILE A 35 2.734 35.347 20.710 1.00 0.00 N ATOM 508 CA ILE A 35 1.819 35.639 19.569 1.00 0.00 C ATOM 509 C ILE A 35 0.372 35.365 19.996 1.00 0.00 C ATOM 510 O ILE A 35 -0.560 35.939 19.468 1.00 0.00 O ATOM 511 CB ILE A 35 2.188 34.756 18.369 1.00 0.00 C ATOM 512 CG1 ILE A 35 1.615 35.374 17.091 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.614 33.348 18.552 1.00 0.00 C ATOM 514 CD1 ILE A 35 2.535 36.497 16.609 1.00 0.00 C ATOM 0 H ILE A 35 3.575 34.820 20.474 1.00 0.00 H new ATOM 0 HA ILE A 35 1.918 36.686 19.281 1.00 0.00 H new ATOM 0 HB ILE A 35 3.274 34.691 18.296 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.518 34.612 16.318 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.615 35.765 17.280 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.883 32.731 17.694 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.022 32.904 19.460 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.528 33.405 18.632 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.127 36.937 15.699 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.609 37.263 17.381 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.526 36.092 16.403 1.00 0.00 H new ATOM 526 N VAL A 36 0.180 34.493 20.950 1.00 0.00 N ATOM 527 CA VAL A 36 -1.203 34.185 21.413 1.00 0.00 C ATOM 528 C VAL A 36 -1.259 34.253 22.942 1.00 0.00 C ATOM 529 O VAL A 36 -2.093 34.928 23.512 1.00 0.00 O ATOM 530 CB VAL A 36 -1.596 32.781 20.948 1.00 0.00 C ATOM 531 CG1 VAL A 36 -0.476 31.796 21.290 1.00 0.00 C ATOM 532 CG2 VAL A 36 -2.883 32.353 21.656 1.00 0.00 C ATOM 0 H VAL A 36 0.922 33.981 21.428 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.897 34.914 20.993 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.757 32.788 19.870 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.757 30.796 20.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.442 32.100 20.788 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.314 31.789 22.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.165 31.353 21.326 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.721 32.347 22.734 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.682 33.054 21.413 1.00 0.00 H new ATOM 542 N GLY A 37 -0.377 33.559 23.611 1.00 0.00 N ATOM 543 CA GLY A 37 -0.382 33.586 25.103 1.00 0.00 C ATOM 544 C GLY A 37 -1.624 32.862 25.626 1.00 0.00 C ATOM 545 O GLY A 37 -2.742 33.241 25.336 1.00 0.00 O ATOM 0 H GLY A 37 0.346 32.975 23.190 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.519 33.108 25.488 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.373 34.617 25.458 1.00 0.00 H new ATOM 549 N ASP A 38 -1.440 31.823 26.396 1.00 0.00 N ATOM 550 CA ASP A 38 -2.613 31.076 26.935 1.00 0.00 C ATOM 551 C ASP A 38 -2.378 30.752 28.421 1.00 0.00 C ATOM 552 O ASP A 38 -2.203 31.641 29.230 1.00 0.00 O ATOM 553 CB ASP A 38 -2.795 29.787 26.131 1.00 0.00 C ATOM 554 CG ASP A 38 -3.276 30.126 24.719 1.00 0.00 C ATOM 555 OD1 ASP A 38 -3.649 31.266 24.499 1.00 0.00 O ATOM 556 OD2 ASP A 38 -3.263 29.239 23.881 1.00 0.00 O ATOM 0 H ASP A 38 -0.529 31.460 26.675 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.514 31.683 26.848 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.853 29.240 26.084 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.517 29.137 26.626 1.00 0.00 H new ATOM 561 N CYS A 39 -2.370 29.495 28.794 1.00 0.00 N ATOM 562 CA CYS A 39 -2.144 29.147 30.227 1.00 0.00 C ATOM 563 C CYS A 39 -0.769 28.495 30.386 1.00 0.00 C ATOM 564 O CYS A 39 -0.320 28.232 31.485 1.00 0.00 O ATOM 565 CB CYS A 39 -3.234 28.177 30.701 1.00 0.00 C ATOM 566 SG CYS A 39 -2.962 26.535 29.981 1.00 0.00 S ATOM 0 H CYS A 39 -2.510 28.700 28.170 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.184 30.055 30.829 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.226 28.112 31.789 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.216 28.551 30.412 1.00 0.00 H new ATOM 571 N GLY A 40 -0.096 28.230 29.300 1.00 0.00 N ATOM 572 CA GLY A 40 1.249 27.594 29.394 1.00 0.00 C ATOM 573 C GLY A 40 1.202 26.449 30.406 1.00 0.00 C ATOM 574 O GLY A 40 0.145 26.036 30.841 1.00 0.00 O ATOM 0 H GLY A 40 -0.419 28.426 28.352 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.554 27.218 28.417 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.991 28.332 29.698 1.00 0.00 H new ATOM 578 N GLY A 41 2.339 25.931 30.784 1.00 0.00 N ATOM 579 CA GLY A 41 2.357 24.812 31.768 1.00 0.00 C ATOM 580 C GLY A 41 1.274 23.794 31.405 1.00 0.00 C ATOM 581 O GLY A 41 1.218 23.303 30.295 1.00 0.00 O ATOM 0 H GLY A 41 3.255 26.234 30.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.336 24.332 31.771 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.187 25.196 32.774 1.00 0.00 H new ATOM 585 N SER A 42 0.413 23.474 32.332 1.00 0.00 N ATOM 586 CA SER A 42 -0.664 22.488 32.038 1.00 0.00 C ATOM 587 C SER A 42 -1.969 22.945 32.693 1.00 0.00 C ATOM 588 O SER A 42 -2.497 22.291 33.570 1.00 0.00 O ATOM 589 CB SER A 42 -0.268 21.119 32.593 1.00 0.00 C ATOM 590 OG SER A 42 0.189 20.295 31.529 1.00 0.00 O ATOM 0 H SER A 42 0.409 23.853 33.279 1.00 0.00 H new ATOM 0 HA SER A 42 -0.805 22.416 30.960 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.514 21.231 33.344 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.121 20.654 33.088 1.00 0.00 H new ATOM 0 HG SER A 42 0.445 19.417 31.882 1.00 0.00 H new ATOM 596 N ALA A 43 -2.495 24.065 32.275 1.00 0.00 N ATOM 597 CA ALA A 43 -3.765 24.560 32.875 1.00 0.00 C ATOM 598 C ALA A 43 -4.953 23.980 32.103 1.00 0.00 C ATOM 599 O ALA A 43 -4.896 22.878 31.596 1.00 0.00 O ATOM 600 CB ALA A 43 -3.802 26.088 32.805 1.00 0.00 C ATOM 0 H ALA A 43 -2.100 24.657 31.545 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.823 24.246 33.917 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.732 26.450 33.244 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.956 26.498 33.357 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.745 26.406 31.764 1.00 0.00 H new ATOM 606 N SER A 44 -6.032 24.710 32.013 1.00 0.00 N ATOM 607 CA SER A 44 -7.221 24.193 31.279 1.00 0.00 C ATOM 608 C SER A 44 -7.856 25.321 30.462 1.00 0.00 C ATOM 609 O SER A 44 -9.000 25.676 30.666 1.00 0.00 O ATOM 610 CB SER A 44 -8.242 23.653 32.281 1.00 0.00 C ATOM 611 OG SER A 44 -7.830 23.991 33.599 1.00 0.00 O ATOM 0 H SER A 44 -6.141 25.641 32.416 1.00 0.00 H new ATOM 0 HA SER A 44 -6.910 23.393 30.607 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.227 24.073 32.076 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.330 22.571 32.181 1.00 0.00 H new ATOM 0 HG SER A 44 -8.483 23.648 34.244 1.00 0.00 H new ATOM 617 N CYS A 45 -7.129 25.890 29.538 1.00 0.00 N ATOM 618 CA CYS A 45 -7.706 26.992 28.718 1.00 0.00 C ATOM 619 C CYS A 45 -8.169 26.433 27.369 1.00 0.00 C ATOM 620 O CYS A 45 -8.304 25.239 27.194 1.00 0.00 O ATOM 621 CB CYS A 45 -6.649 28.090 28.505 1.00 0.00 C ATOM 622 SG CYS A 45 -5.515 27.638 27.160 1.00 0.00 S ATOM 0 H CYS A 45 -6.165 25.640 29.317 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.561 27.425 29.237 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.141 29.034 28.271 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.086 28.243 29.426 1.00 0.00 H new ATOM 627 N ALA A 46 -8.412 27.288 26.415 1.00 0.00 N ATOM 628 CA ALA A 46 -8.864 26.805 25.081 1.00 0.00 C ATOM 629 C ALA A 46 -8.358 27.760 23.999 1.00 0.00 C ATOM 630 O ALA A 46 -8.846 27.769 22.887 1.00 0.00 O ATOM 631 CB ALA A 46 -10.392 26.756 25.047 1.00 0.00 C ATOM 0 H ALA A 46 -8.317 28.300 26.502 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.467 25.806 24.900 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.723 26.402 24.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.752 26.077 25.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.792 27.754 25.226 1.00 0.00 H new ATOM 637 N THR A 47 -7.382 28.565 24.315 1.00 0.00 N ATOM 638 CA THR A 47 -6.846 29.518 23.303 1.00 0.00 C ATOM 639 C THR A 47 -5.706 28.852 22.530 1.00 0.00 C ATOM 640 O THR A 47 -5.323 29.297 21.467 1.00 0.00 O ATOM 641 CB THR A 47 -6.324 30.772 24.008 1.00 0.00 C ATOM 642 OG1 THR A 47 -7.404 31.439 24.646 1.00 0.00 O ATOM 643 CG2 THR A 47 -5.679 31.705 22.982 1.00 0.00 C ATOM 0 H THR A 47 -6.932 28.604 25.230 1.00 0.00 H new ATOM 0 HA THR A 47 -7.639 29.797 22.610 1.00 0.00 H new ATOM 0 HB THR A 47 -5.581 30.488 24.754 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.071 32.241 25.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.308 32.598 23.485 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.850 31.192 22.494 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.419 31.991 22.235 1.00 0.00 H new ATOM 651 N CYS A 48 -5.162 27.787 23.053 1.00 0.00 N ATOM 652 CA CYS A 48 -4.050 27.096 22.343 1.00 0.00 C ATOM 653 C CYS A 48 -4.609 26.066 21.357 1.00 0.00 C ATOM 654 O CYS A 48 -4.098 24.974 21.233 1.00 0.00 O ATOM 655 CB CYS A 48 -3.101 26.445 23.347 1.00 0.00 C ATOM 656 SG CYS A 48 -3.904 25.075 24.210 1.00 0.00 S ATOM 0 H CYS A 48 -5.439 27.367 23.940 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.482 27.832 21.774 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.213 26.082 22.830 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.767 27.188 24.071 1.00 0.00 H new ATOM 661 N HIS A 49 -5.647 26.433 20.643 1.00 0.00 N ATOM 662 CA HIS A 49 -6.252 25.519 19.622 1.00 0.00 C ATOM 663 C HIS A 49 -5.327 25.511 18.403 1.00 0.00 C ATOM 664 O HIS A 49 -5.640 26.078 17.376 1.00 0.00 O ATOM 665 CB HIS A 49 -7.624 26.085 19.214 1.00 0.00 C ATOM 666 CG HIS A 49 -8.281 25.210 18.193 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.363 24.412 18.501 1.00 0.00 N ATOM 668 CD2 HIS A 49 -8.050 25.025 16.852 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.733 23.790 17.377 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.968 24.123 16.344 1.00 0.00 N ATOM 0 H HIS A 49 -6.107 27.340 20.726 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.373 24.510 20.016 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.263 26.168 20.093 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.502 27.091 18.812 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.271 25.509 16.281 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.559 23.097 17.316 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.041 23.787 15.384 1.00 0.00 H new ATOM 678 N VAL A 50 -4.178 24.912 18.496 1.00 0.00 N ATOM 679 CA VAL A 50 -3.269 24.950 17.332 1.00 0.00 C ATOM 680 C VAL A 50 -3.717 23.959 16.291 1.00 0.00 C ATOM 681 O VAL A 50 -4.229 22.897 16.582 1.00 0.00 O ATOM 682 CB VAL A 50 -1.843 24.623 17.741 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.419 25.533 18.894 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.761 23.160 18.177 1.00 0.00 C ATOM 0 H VAL A 50 -3.836 24.407 19.313 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.298 25.959 16.922 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.175 24.784 16.895 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.396 25.297 19.186 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.475 26.574 18.575 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.084 25.378 19.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.738 22.925 18.471 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.428 22.994 19.023 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.058 22.516 17.349 1.00 0.00 H new ATOM 694 N TYR A 51 -3.513 24.313 15.074 1.00 0.00 N ATOM 695 CA TYR A 51 -3.901 23.425 13.969 1.00 0.00 C ATOM 696 C TYR A 51 -2.631 22.938 13.282 1.00 0.00 C ATOM 697 O TYR A 51 -1.993 23.640 12.525 1.00 0.00 O ATOM 698 CB TYR A 51 -4.781 24.215 13.024 1.00 0.00 C ATOM 699 CG TYR A 51 -6.221 23.818 13.244 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.582 22.484 13.074 1.00 0.00 C ATOM 701 CD2 TYR A 51 -7.196 24.771 13.593 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.904 22.083 13.246 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.529 24.365 13.760 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.881 23.020 13.585 1.00 0.00 C ATOM 705 OH TYR A 51 -10.190 22.617 13.749 1.00 0.00 O ATOM 0 H TYR A 51 -3.087 25.195 14.790 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.458 22.555 14.318 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.655 25.284 13.197 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.491 24.023 11.991 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.831 21.755 12.807 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.921 25.806 13.731 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.174 21.045 13.117 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.285 25.090 14.024 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.697 23.327 14.196 1.00 0.00 H new ATOM 715 N VAL A 52 -2.251 21.744 13.604 1.00 0.00 N ATOM 716 CA VAL A 52 -0.994 21.153 13.063 1.00 0.00 C ATOM 717 C VAL A 52 -1.236 20.407 11.754 1.00 0.00 C ATOM 718 O VAL A 52 -2.356 20.212 11.325 1.00 0.00 O ATOM 719 CB VAL A 52 -0.465 20.169 14.101 1.00 0.00 C ATOM 720 CG1 VAL A 52 0.990 19.812 13.795 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.571 20.811 15.486 1.00 0.00 C ATOM 0 H VAL A 52 -2.768 21.132 14.235 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.283 21.954 12.861 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.055 19.253 14.074 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.357 19.109 14.543 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.053 19.356 12.807 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.599 20.716 13.817 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.196 20.117 16.238 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.021 21.726 15.509 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.614 21.048 15.699 1.00 0.00 H new ATOM 731 N ASN A 53 -0.172 19.976 11.126 1.00 0.00 N ATOM 732 CA ASN A 53 -0.300 19.224 9.851 1.00 0.00 C ATOM 733 C ASN A 53 -0.924 17.859 10.142 1.00 0.00 C ATOM 734 O ASN A 53 -1.258 17.548 11.267 1.00 0.00 O ATOM 735 CB ASN A 53 1.085 19.031 9.231 1.00 0.00 C ATOM 736 CG ASN A 53 1.064 19.508 7.777 1.00 0.00 C ATOM 737 OD1 ASN A 53 1.257 18.727 6.867 1.00 0.00 O ATOM 738 ND2 ASN A 53 0.837 20.767 7.519 1.00 0.00 N ATOM 0 H ASN A 53 0.786 20.116 11.448 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.931 19.778 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.830 19.590 9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.372 17.981 9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.822 21.095 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.675 21.423 8.283 1.00 0.00 H new ATOM 745 N GLU A 54 -1.084 17.043 9.140 1.00 0.00 N ATOM 746 CA GLU A 54 -1.690 15.698 9.363 1.00 0.00 C ATOM 747 C GLU A 54 -0.592 14.631 9.411 1.00 0.00 C ATOM 748 O GLU A 54 -0.864 13.461 9.597 1.00 0.00 O ATOM 749 CB GLU A 54 -2.656 15.380 8.219 1.00 0.00 C ATOM 750 CG GLU A 54 -3.314 16.671 7.730 1.00 0.00 C ATOM 751 CD GLU A 54 -4.778 16.398 7.377 1.00 0.00 C ATOM 752 OE1 GLU A 54 -5.012 15.621 6.466 1.00 0.00 O ATOM 753 OE2 GLU A 54 -5.639 16.970 8.025 1.00 0.00 O ATOM 0 H GLU A 54 -0.822 17.247 8.175 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.229 15.701 10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.120 14.900 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.417 14.677 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.252 17.438 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.784 17.054 6.858 1.00 0.00 H new ATOM 760 N ALA A 55 0.642 15.016 9.236 1.00 0.00 N ATOM 761 CA ALA A 55 1.744 14.010 9.263 1.00 0.00 C ATOM 762 C ALA A 55 2.597 14.194 10.522 1.00 0.00 C ATOM 763 O ALA A 55 3.383 13.339 10.877 1.00 0.00 O ATOM 764 CB ALA A 55 2.624 14.187 8.024 1.00 0.00 C ATOM 0 H ALA A 55 0.936 15.980 9.076 1.00 0.00 H new ATOM 0 HA ALA A 55 1.311 13.010 9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.430 13.453 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.022 14.043 7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.048 15.191 8.019 1.00 0.00 H new ATOM 770 N PHE A 56 2.455 15.301 11.196 1.00 0.00 N ATOM 771 CA PHE A 56 3.266 15.531 12.426 1.00 0.00 C ATOM 772 C PHE A 56 2.396 15.315 13.665 1.00 0.00 C ATOM 773 O PHE A 56 2.891 15.064 14.746 1.00 0.00 O ATOM 774 CB PHE A 56 3.803 16.958 12.416 1.00 0.00 C ATOM 775 CG PHE A 56 4.881 17.072 11.367 1.00 0.00 C ATOM 776 CD1 PHE A 56 6.200 16.711 11.675 1.00 0.00 C ATOM 777 CD2 PHE A 56 4.565 17.541 10.087 1.00 0.00 C ATOM 778 CE1 PHE A 56 7.199 16.820 10.703 1.00 0.00 C ATOM 779 CE2 PHE A 56 5.566 17.651 9.116 1.00 0.00 C ATOM 780 CZ PHE A 56 6.883 17.291 9.424 1.00 0.00 C ATOM 0 H PHE A 56 1.814 16.055 10.950 1.00 0.00 H new ATOM 0 HA PHE A 56 4.100 14.829 12.449 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.997 17.661 12.205 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.203 17.216 13.396 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.444 16.349 12.663 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.549 17.818 9.849 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.215 16.541 10.940 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.322 18.014 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.656 17.377 8.674 1.00 0.00 H new ATOM 790 N THR A 57 1.103 15.407 13.519 1.00 0.00 N ATOM 791 CA THR A 57 0.205 15.204 14.690 1.00 0.00 C ATOM 792 C THR A 57 0.251 13.736 15.123 1.00 0.00 C ATOM 793 O THR A 57 -0.318 13.359 16.129 1.00 0.00 O ATOM 794 CB THR A 57 -1.229 15.567 14.304 1.00 0.00 C ATOM 795 OG1 THR A 57 -1.420 15.317 12.919 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.481 17.045 14.599 1.00 0.00 C ATOM 0 H THR A 57 0.630 15.614 12.639 1.00 0.00 H new ATOM 0 HA THR A 57 0.536 15.840 15.511 1.00 0.00 H new ATOM 0 HB THR A 57 -1.927 14.962 14.883 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.134 14.657 12.801 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.504 17.302 14.323 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.334 17.234 15.662 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.786 17.655 14.022 1.00 0.00 H new ATOM 804 N ASP A 58 0.917 12.902 14.372 1.00 0.00 N ATOM 805 CA ASP A 58 0.990 11.461 14.744 1.00 0.00 C ATOM 806 C ASP A 58 2.179 11.232 15.680 1.00 0.00 C ATOM 807 O ASP A 58 2.031 10.721 16.772 1.00 0.00 O ATOM 808 CB ASP A 58 1.166 10.617 13.480 1.00 0.00 C ATOM 809 CG ASP A 58 0.987 9.137 13.825 1.00 0.00 C ATOM 810 OD1 ASP A 58 1.357 8.757 14.924 1.00 0.00 O ATOM 811 OD2 ASP A 58 0.483 8.410 12.985 1.00 0.00 O ATOM 0 H ASP A 58 1.413 13.156 13.518 1.00 0.00 H new ATOM 0 HA ASP A 58 0.070 11.171 15.251 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.438 10.916 12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.155 10.785 13.053 1.00 0.00 H new ATOM 816 N LYS A 59 3.357 11.601 15.260 1.00 0.00 N ATOM 817 CA LYS A 59 4.553 11.400 16.125 1.00 0.00 C ATOM 818 C LYS A 59 4.296 12.005 17.507 1.00 0.00 C ATOM 819 O LYS A 59 4.686 11.454 18.518 1.00 0.00 O ATOM 820 CB LYS A 59 5.765 12.081 15.487 1.00 0.00 C ATOM 821 CG LYS A 59 6.395 11.142 14.456 1.00 0.00 C ATOM 822 CD LYS A 59 6.262 11.754 13.060 1.00 0.00 C ATOM 823 CE LYS A 59 7.089 10.938 12.064 1.00 0.00 C ATOM 824 NZ LYS A 59 6.551 9.550 11.991 1.00 0.00 N ATOM 0 H LYS A 59 3.543 12.033 14.355 1.00 0.00 H new ATOM 0 HA LYS A 59 4.748 10.333 16.229 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.462 13.012 15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.496 12.339 16.254 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.446 10.976 14.693 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.904 10.169 14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.216 11.767 12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.604 12.789 13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.056 11.404 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.134 10.919 12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.959 9.062 11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.802 9.034 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.516 9.583 11.895 1.00 0.00 H new ATOM 838 N VAL A 60 3.640 13.133 17.562 1.00 0.00 N ATOM 839 CA VAL A 60 3.358 13.766 18.873 1.00 0.00 C ATOM 840 C VAL A 60 2.741 12.729 19.817 1.00 0.00 C ATOM 841 O VAL A 60 2.300 11.684 19.381 1.00 0.00 O ATOM 842 CB VAL A 60 2.382 14.927 18.672 1.00 0.00 C ATOM 843 CG1 VAL A 60 3.162 16.213 18.395 1.00 0.00 C ATOM 844 CG2 VAL A 60 1.452 14.633 17.492 1.00 0.00 C ATOM 0 H VAL A 60 3.288 13.641 16.751 1.00 0.00 H new ATOM 0 HA VAL A 60 4.284 14.142 19.308 1.00 0.00 H new ATOM 0 HB VAL A 60 1.786 15.048 19.577 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.464 17.038 18.252 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.815 16.432 19.240 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.764 16.087 17.495 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.761 15.465 17.357 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.044 14.502 16.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.888 13.722 17.692 1.00 0.00 H new ATOM 854 N PRO A 61 2.730 13.049 21.087 1.00 0.00 N ATOM 855 CA PRO A 61 2.172 12.153 22.116 1.00 0.00 C ATOM 856 C PRO A 61 0.704 11.842 21.812 1.00 0.00 C ATOM 857 O PRO A 61 0.132 12.354 20.870 1.00 0.00 O ATOM 858 CB PRO A 61 2.304 12.935 23.430 1.00 0.00 C ATOM 859 CG PRO A 61 3.005 14.281 23.110 1.00 0.00 C ATOM 860 CD PRO A 61 3.268 14.323 21.597 1.00 0.00 C ATOM 0 HA PRO A 61 2.690 11.195 22.158 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.323 13.110 23.871 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.883 12.366 24.157 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.378 15.120 23.413 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.940 14.366 23.663 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.773 15.176 21.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.333 14.417 21.383 1.00 0.00 H new ATOM 868 N ALA A 62 0.091 11.004 22.602 1.00 0.00 N ATOM 869 CA ALA A 62 -1.337 10.657 22.359 1.00 0.00 C ATOM 870 C ALA A 62 -2.203 11.262 23.463 1.00 0.00 C ATOM 871 O ALA A 62 -2.893 10.564 24.178 1.00 0.00 O ATOM 872 CB ALA A 62 -1.500 9.139 22.362 1.00 0.00 C ATOM 0 H ALA A 62 0.518 10.544 23.406 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.647 11.055 21.393 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.545 8.885 22.184 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.882 8.705 21.576 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.189 8.742 23.328 1.00 0.00 H new ATOM 878 N ALA A 63 -2.168 12.556 23.605 1.00 0.00 N ATOM 879 CA ALA A 63 -2.986 13.218 24.661 1.00 0.00 C ATOM 880 C ALA A 63 -4.378 12.583 24.704 1.00 0.00 C ATOM 881 O ALA A 63 -5.102 12.586 23.728 1.00 0.00 O ATOM 882 CB ALA A 63 -3.116 14.709 24.346 1.00 0.00 C ATOM 0 H ALA A 63 -1.606 13.187 23.034 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.500 13.091 25.628 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.714 15.193 25.118 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.125 15.162 24.317 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.601 14.835 23.378 1.00 0.00 H new ATOM 888 N ASN A 64 -4.756 12.035 25.826 1.00 0.00 N ATOM 889 CA ASN A 64 -6.099 11.397 25.930 1.00 0.00 C ATOM 890 C ASN A 64 -7.180 12.418 25.573 1.00 0.00 C ATOM 891 O ASN A 64 -6.917 13.420 24.939 1.00 0.00 O ATOM 892 CB ASN A 64 -6.319 10.900 27.361 1.00 0.00 C ATOM 893 CG ASN A 64 -5.021 10.295 27.898 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.434 9.435 27.272 1.00 0.00 O ATOM 895 ND2 ASN A 64 -4.546 10.710 29.040 1.00 0.00 N ATOM 0 H ASN A 64 -4.193 12.001 26.676 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.154 10.555 25.240 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.639 11.725 27.998 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.115 10.155 27.380 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.682 10.312 29.408 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.039 11.432 29.565 1.00 0.00 H new ATOM 902 N GLU A 65 -8.397 12.171 25.977 1.00 0.00 N ATOM 903 CA GLU A 65 -9.496 13.127 25.661 1.00 0.00 C ATOM 904 C GLU A 65 -9.776 14.004 26.883 1.00 0.00 C ATOM 905 O GLU A 65 -10.474 14.995 26.800 1.00 0.00 O ATOM 906 CB GLU A 65 -10.759 12.346 25.293 1.00 0.00 C ATOM 907 CG GLU A 65 -11.924 13.319 25.102 1.00 0.00 C ATOM 908 CD GLU A 65 -12.940 13.128 26.230 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.751 12.223 26.124 1.00 0.00 O ATOM 910 OE2 GLU A 65 -12.888 13.890 27.181 1.00 0.00 O ATOM 0 H GLU A 65 -8.677 11.349 26.512 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.201 13.757 24.822 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.593 11.776 24.379 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.996 11.627 26.077 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.557 14.345 25.099 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.400 13.147 24.137 1.00 0.00 H new ATOM 917 N ARG A 66 -9.238 13.648 28.017 1.00 0.00 N ATOM 918 CA ARG A 66 -9.475 14.463 29.242 1.00 0.00 C ATOM 919 C ARG A 66 -9.083 15.917 28.971 1.00 0.00 C ATOM 920 O ARG A 66 -9.792 16.838 29.324 1.00 0.00 O ATOM 921 CB ARG A 66 -8.631 13.912 30.394 1.00 0.00 C ATOM 922 CG ARG A 66 -7.204 13.656 29.906 1.00 0.00 C ATOM 923 CD ARG A 66 -6.275 14.741 30.452 1.00 0.00 C ATOM 924 NE ARG A 66 -4.867 14.253 30.417 1.00 0.00 N ATOM 925 CZ ARG A 66 -3.877 15.095 30.551 1.00 0.00 C ATOM 926 NH1 ARG A 66 -4.115 16.368 30.717 1.00 0.00 N ATOM 927 NH2 ARG A 66 -2.646 14.662 30.519 1.00 0.00 N ATOM 0 H ARG A 66 -8.645 12.829 28.148 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.530 14.416 29.511 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.621 14.620 31.223 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.069 12.987 30.770 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.866 12.674 30.236 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.176 13.653 28.816 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.371 15.650 29.858 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.557 14.996 31.473 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.676 13.259 30.288 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.076 16.708 30.742 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.340 17.022 30.821 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.458 13.668 30.390 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.872 15.318 30.623 1.00 0.00 H new ATOM 941 N GLU A 67 -7.957 16.131 28.346 1.00 0.00 N ATOM 942 CA GLU A 67 -7.522 17.526 28.053 1.00 0.00 C ATOM 943 C GLU A 67 -8.241 18.030 26.801 1.00 0.00 C ATOM 944 O GLU A 67 -8.253 19.211 26.513 1.00 0.00 O ATOM 945 CB GLU A 67 -6.010 17.549 27.818 1.00 0.00 C ATOM 946 CG GLU A 67 -5.652 16.572 26.697 1.00 0.00 C ATOM 947 CD GLU A 67 -5.215 17.353 25.457 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.079 17.899 24.790 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.024 17.393 25.195 1.00 0.00 O ATOM 0 H GLU A 67 -7.320 15.401 28.026 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.768 18.170 28.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.688 18.556 27.553 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.485 17.277 28.734 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.851 15.908 27.022 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.511 15.944 26.460 1.00 0.00 H new ATOM 956 N ILE A 68 -8.841 17.145 26.053 1.00 0.00 N ATOM 957 CA ILE A 68 -9.559 17.574 24.820 1.00 0.00 C ATOM 958 C ILE A 68 -10.904 18.196 25.203 1.00 0.00 C ATOM 959 O ILE A 68 -11.393 19.092 24.544 1.00 0.00 O ATOM 960 CB ILE A 68 -9.797 16.360 23.921 1.00 0.00 C ATOM 961 CG1 ILE A 68 -8.451 15.797 23.459 1.00 0.00 C ATOM 962 CG2 ILE A 68 -10.619 16.780 22.701 1.00 0.00 C ATOM 963 CD1 ILE A 68 -7.805 16.767 22.468 1.00 0.00 C ATOM 0 H ILE A 68 -8.865 16.143 26.243 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.957 18.310 24.286 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.340 15.597 24.478 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.795 15.645 24.316 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.594 14.823 22.991 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.788 15.914 22.061 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.578 17.182 23.029 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.077 17.544 22.143 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.846 16.366 22.139 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.460 16.896 21.606 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.648 17.731 22.952 1.00 0.00 H new ATOM 975 N GLY A 69 -11.505 17.729 26.263 1.00 0.00 N ATOM 976 CA GLY A 69 -12.817 18.295 26.685 1.00 0.00 C ATOM 977 C GLY A 69 -12.736 19.822 26.692 1.00 0.00 C ATOM 978 O GLY A 69 -13.528 20.498 26.066 1.00 0.00 O ATOM 0 H GLY A 69 -11.144 16.980 26.855 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.603 17.965 26.005 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.080 17.930 27.678 1.00 0.00 H new ATOM 982 N MET A 70 -11.785 20.372 27.396 1.00 0.00 N ATOM 983 CA MET A 70 -11.654 21.855 27.440 1.00 0.00 C ATOM 984 C MET A 70 -11.229 22.365 26.062 1.00 0.00 C ATOM 985 O MET A 70 -11.479 23.499 25.704 1.00 0.00 O ATOM 986 CB MET A 70 -10.599 22.245 28.477 1.00 0.00 C ATOM 987 CG MET A 70 -10.657 21.272 29.656 1.00 0.00 C ATOM 988 SD MET A 70 -10.616 22.201 31.209 1.00 0.00 S ATOM 989 CE MET A 70 -12.128 23.158 30.940 1.00 0.00 C ATOM 0 H MET A 70 -11.093 19.858 27.942 1.00 0.00 H new ATOM 0 HA MET A 70 -12.611 22.298 27.715 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.607 22.228 28.026 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.774 23.264 28.824 1.00 0.00 H new ATOM 0 HG2 MET A 70 -11.566 20.673 29.602 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.816 20.580 29.612 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.621 23.336 31.896 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.877 24.113 30.477 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.798 22.602 30.284 1.00 0.00 H new ATOM 999 N LEU A 71 -10.589 21.534 25.285 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.150 21.968 23.930 1.00 0.00 C ATOM 1001 C LEU A 71 -11.255 21.664 22.915 1.00 0.00 C ATOM 1002 O LEU A 71 -11.120 21.932 21.737 1.00 0.00 O ATOM 1003 CB LEU A 71 -8.878 21.213 23.540 1.00 0.00 C ATOM 1004 CG LEU A 71 -7.773 22.214 23.201 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -8.193 23.050 21.992 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -7.537 23.137 24.400 1.00 0.00 C ATOM 0 H LEU A 71 -10.351 20.573 25.531 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.948 23.039 23.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.560 20.568 24.359 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.074 20.568 22.684 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.855 21.675 22.968 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.405 23.763 21.751 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.363 22.395 21.138 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.112 23.589 22.224 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.749 23.851 24.160 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.456 23.675 24.632 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.237 22.543 25.263 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.349 21.108 23.361 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.461 20.790 22.422 1.00 0.00 C ATOM 1020 C GLU A 72 -14.408 21.989 22.335 1.00 0.00 C ATOM 1021 O GLU A 72 -15.096 22.178 21.352 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.226 19.567 22.934 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.541 19.425 22.164 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.713 19.752 23.091 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.801 20.889 23.524 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.504 18.860 23.351 1.00 0.00 O ATOM 0 H GLU A 72 -12.520 20.860 24.336 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.056 20.574 21.433 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.621 18.669 22.810 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.427 19.671 24.000 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.546 20.095 21.304 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.641 18.411 21.778 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.447 22.800 23.356 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.348 23.987 23.331 1.00 0.00 C ATOM 1035 C CYS A 73 -14.530 25.240 23.014 1.00 0.00 C ATOM 1036 O CYS A 73 -14.808 26.316 23.505 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.018 24.147 24.697 1.00 0.00 C ATOM 1038 SG CYS A 73 -17.803 23.903 24.526 1.00 0.00 S ATOM 0 H CYS A 73 -13.894 22.692 24.206 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.112 23.848 22.566 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -15.607 23.424 25.402 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -15.813 25.138 25.101 1.00 0.00 H new ATOM 0 HG CYS A 73 -18.037 22.700 24.093 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.522 25.110 22.195 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.687 26.294 21.846 1.00 0.00 C ATOM 1046 C VAL A 74 -13.547 27.323 21.111 1.00 0.00 C ATOM 1047 O VAL A 74 -14.631 27.025 20.651 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.533 25.857 20.941 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -10.390 26.868 21.045 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.032 24.480 21.381 1.00 0.00 C ATOM 0 H VAL A 74 -13.241 24.235 21.753 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.286 26.737 22.758 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.882 25.806 19.910 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.568 26.556 20.400 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.744 27.850 20.732 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.042 26.919 22.077 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.210 24.169 20.736 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.684 24.532 22.413 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.844 23.757 21.308 1.00 0.00 H new ATOM 1060 N THR A 75 -13.072 28.533 20.994 1.00 0.00 N ATOM 1061 CA THR A 75 -13.865 29.577 20.286 1.00 0.00 C ATOM 1062 C THR A 75 -13.869 29.284 18.786 1.00 0.00 C ATOM 1063 O THR A 75 -14.516 29.963 18.014 1.00 0.00 O ATOM 1064 CB THR A 75 -13.241 30.952 20.531 1.00 0.00 C ATOM 1065 OG1 THR A 75 -13.074 31.152 21.927 1.00 0.00 O ATOM 1066 CG2 THR A 75 -14.156 32.039 19.965 1.00 0.00 C ATOM 0 H THR A 75 -12.171 28.843 21.357 1.00 0.00 H new ATOM 0 HA THR A 75 -14.888 29.570 20.663 1.00 0.00 H new ATOM 0 HB THR A 75 -12.271 31.004 20.037 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.189 30.832 22.200 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.710 33.018 20.140 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.284 31.885 18.893 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.127 31.990 20.457 1.00 0.00 H new ATOM 1074 N ALA A 76 -13.150 28.280 18.362 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.119 27.954 16.912 1.00 0.00 C ATOM 1076 C ALA A 76 -13.730 26.570 16.691 1.00 0.00 C ATOM 1077 O ALA A 76 -14.588 26.132 17.431 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.669 27.955 16.423 1.00 0.00 C ATOM 0 H ALA A 76 -12.585 27.674 18.957 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.691 28.698 16.357 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.643 27.716 15.360 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.231 28.940 16.584 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.098 27.209 16.976 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.280 25.874 15.687 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.803 24.518 15.416 1.00 0.00 C ATOM 1086 C GLU A 77 -12.677 23.539 15.692 1.00 0.00 C ATOM 1087 O GLU A 77 -11.526 23.904 15.617 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.227 24.411 13.953 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.444 25.408 13.092 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.026 25.423 11.677 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.206 25.144 11.540 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -13.282 25.712 10.755 1.00 0.00 O ATOM 0 H GLU A 77 -12.563 26.195 15.037 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.668 24.304 16.043 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.056 23.397 13.592 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.296 24.605 13.863 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.498 26.405 13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.391 25.130 13.061 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.960 22.309 16.008 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.824 21.392 16.274 1.00 0.00 C ATOM 1101 C LEU A 78 -11.977 20.053 15.567 1.00 0.00 C ATOM 1102 O LEU A 78 -13.021 19.694 15.061 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.654 21.154 17.774 1.00 0.00 C ATOM 1104 CG LEU A 78 -10.174 20.877 18.020 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.661 21.671 19.219 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.959 19.384 18.262 1.00 0.00 C ATOM 0 H LEU A 78 -13.895 21.910 16.092 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.936 21.883 15.877 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.982 22.025 18.342 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.263 20.312 18.102 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.617 21.188 17.136 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.604 21.455 19.373 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.791 22.737 19.032 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.222 21.388 20.110 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.900 19.193 18.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.533 19.070 19.134 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.290 18.822 17.388 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.896 19.328 15.537 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.853 18.000 14.880 1.00 0.00 C ATOM 1120 C LYS A 79 -9.718 17.206 15.531 1.00 0.00 C ATOM 1121 O LYS A 79 -8.942 17.757 16.286 1.00 0.00 O ATOM 1122 CB LYS A 79 -10.564 18.178 13.381 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.979 19.564 13.124 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.533 19.670 11.665 1.00 0.00 C ATOM 1125 CE LYS A 79 -8.052 19.307 11.554 1.00 0.00 C ATOM 1126 NZ LYS A 79 -7.349 20.333 10.732 1.00 0.00 N ATOM 0 H LYS A 79 -10.012 19.615 15.957 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.804 17.479 14.993 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.867 17.411 13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.482 18.049 12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.722 20.330 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.133 19.741 13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.129 19.003 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.698 20.682 11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.605 19.252 12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.941 18.323 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.419 19.968 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.915 20.548 9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.222 21.200 11.293 1.00 0.00 H new ATOM 1140 N PRO A 80 -9.643 15.946 15.219 1.00 0.00 N ATOM 1141 CA PRO A 80 -8.593 15.070 15.761 1.00 0.00 C ATOM 1142 C PRO A 80 -7.210 15.644 15.432 1.00 0.00 C ATOM 1143 O PRO A 80 -6.209 15.238 15.989 1.00 0.00 O ATOM 1144 CB PRO A 80 -8.808 13.722 15.058 1.00 0.00 C ATOM 1145 CG PRO A 80 -10.046 13.867 14.134 1.00 0.00 C ATOM 1146 CD PRO A 80 -10.592 15.294 14.307 1.00 0.00 C ATOM 0 HA PRO A 80 -8.643 14.974 16.846 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.927 13.448 14.478 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.967 12.930 15.790 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.771 13.686 13.095 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.807 13.132 14.396 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.646 15.816 13.352 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.599 15.285 14.723 1.00 0.00 H new ATOM 1154 N ASN A 81 -7.148 16.581 14.524 1.00 0.00 N ATOM 1155 CA ASN A 81 -5.831 17.177 14.149 1.00 0.00 C ATOM 1156 C ASN A 81 -5.479 18.348 15.081 1.00 0.00 C ATOM 1157 O ASN A 81 -4.322 18.623 15.330 1.00 0.00 O ATOM 1158 CB ASN A 81 -5.906 17.686 12.708 1.00 0.00 C ATOM 1159 CG ASN A 81 -4.770 17.073 11.890 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -4.927 16.805 10.715 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -3.624 16.837 12.465 1.00 0.00 N ATOM 0 H ASN A 81 -7.953 16.960 14.025 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.059 16.413 14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.868 17.423 12.268 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.834 18.774 12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.859 16.427 11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.492 17.062 13.451 1.00 0.00 H new ATOM 1168 N SER A 82 -6.461 19.046 15.587 1.00 0.00 N ATOM 1169 CA SER A 82 -6.172 20.205 16.489 1.00 0.00 C ATOM 1170 C SER A 82 -5.732 19.710 17.866 1.00 0.00 C ATOM 1171 O SER A 82 -6.095 18.632 18.294 1.00 0.00 O ATOM 1172 CB SER A 82 -7.425 21.048 16.636 1.00 0.00 C ATOM 1173 OG SER A 82 -8.327 20.724 15.588 1.00 0.00 O ATOM 0 H SER A 82 -7.450 18.866 15.416 1.00 0.00 H new ATOM 0 HA SER A 82 -5.369 20.801 16.055 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.891 20.864 17.604 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.172 22.108 16.601 1.00 0.00 H new ATOM 0 HG SER A 82 -8.420 21.493 14.987 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.951 20.491 18.569 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.495 20.059 19.918 1.00 0.00 C ATOM 1181 C ARG A 83 -3.999 21.274 20.702 1.00 0.00 C ATOM 1182 O ARG A 83 -4.077 22.396 20.243 1.00 0.00 O ATOM 1183 CB ARG A 83 -3.357 19.047 19.772 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.888 17.638 20.045 1.00 0.00 C ATOM 1185 CD ARG A 83 -2.720 16.651 20.089 1.00 0.00 C ATOM 1186 NE ARG A 83 -1.774 17.050 21.170 1.00 0.00 N ATOM 1187 CZ ARG A 83 -0.866 16.211 21.590 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -0.780 15.018 21.065 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -0.042 16.565 22.537 1.00 0.00 N ATOM 0 H ARG A 83 -4.613 21.404 18.266 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.326 19.597 20.451 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.936 19.100 18.768 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.553 19.285 20.468 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.430 17.619 20.991 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.594 17.347 19.267 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.089 15.641 20.268 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.206 16.636 19.128 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.836 17.981 21.583 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.423 14.739 20.324 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.069 14.365 21.396 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.108 17.496 22.948 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.668 15.911 22.866 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.476 21.057 21.876 1.00 0.00 N ATOM 1204 CA LEU A 84 -2.960 22.195 22.684 1.00 0.00 C ATOM 1205 C LEU A 84 -1.443 22.270 22.512 1.00 0.00 C ATOM 1206 O LEU A 84 -0.709 21.488 23.077 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.297 21.969 24.160 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.810 21.825 24.321 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.221 20.382 24.024 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.205 22.181 25.756 1.00 0.00 C ATOM 0 H LEU A 84 -3.384 20.139 22.311 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.419 23.126 22.351 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.795 21.073 24.526 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.935 22.805 24.759 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.314 22.496 23.626 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.300 20.280 24.139 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.939 20.126 23.003 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.717 19.710 24.718 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.284 22.079 25.872 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.700 21.509 26.450 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.913 23.209 25.969 1.00 0.00 H new ATOM 1222 N CYS A 85 -0.966 23.197 21.728 1.00 0.00 N ATOM 1223 CA CYS A 85 0.506 23.307 21.516 1.00 0.00 C ATOM 1224 C CYS A 85 1.230 23.286 22.864 1.00 0.00 C ATOM 1225 O CYS A 85 2.402 22.977 22.942 1.00 0.00 O ATOM 1226 CB CYS A 85 0.826 24.617 20.792 1.00 0.00 C ATOM 1227 SG CYS A 85 -0.040 25.983 21.604 1.00 0.00 S ATOM 0 H CYS A 85 -1.530 23.882 21.225 1.00 0.00 H new ATOM 0 HA CYS A 85 0.841 22.463 20.912 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.901 24.797 20.802 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.523 24.551 19.747 1.00 0.00 H new ATOM 0 HG CYS A 85 0.234 27.096 20.991 1.00 0.00 H new ATOM 1233 N CYS A 86 0.549 23.619 23.926 1.00 0.00 N ATOM 1234 CA CYS A 86 1.216 23.621 25.257 1.00 0.00 C ATOM 1235 C CYS A 86 1.372 22.185 25.770 1.00 0.00 C ATOM 1236 O CYS A 86 2.379 21.833 26.351 1.00 0.00 O ATOM 1237 CB CYS A 86 0.381 24.422 26.255 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.148 23.527 26.621 1.00 0.00 S ATOM 0 H CYS A 86 -0.435 23.888 23.930 1.00 0.00 H new ATOM 0 HA CYS A 86 2.200 24.077 25.154 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.948 24.584 27.172 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.150 25.405 25.845 1.00 0.00 H new ATOM 1243 N GLN A 87 0.382 21.357 25.574 1.00 0.00 N ATOM 1244 CA GLN A 87 0.476 19.953 26.068 1.00 0.00 C ATOM 1245 C GLN A 87 1.098 19.051 24.998 1.00 0.00 C ATOM 1246 O GLN A 87 0.704 17.914 24.831 1.00 0.00 O ATOM 1247 CB GLN A 87 -0.926 19.442 26.408 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.035 19.216 27.917 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.598 17.819 28.185 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.740 17.542 27.875 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.839 16.920 28.751 1.00 0.00 N ATOM 0 H GLN A 87 -0.487 21.591 25.094 1.00 0.00 H new ATOM 0 HA GLN A 87 1.106 19.933 26.957 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.676 20.163 26.082 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.125 18.512 25.875 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.055 19.320 28.383 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.682 19.972 28.363 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.119 17.152 29.011 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.205 15.985 28.933 1.00 0.00 H new ATOM 1260 N ILE A 88 2.075 19.536 24.280 1.00 0.00 N ATOM 1261 CA ILE A 88 2.721 18.685 23.236 1.00 0.00 C ATOM 1262 C ILE A 88 4.229 18.926 23.250 1.00 0.00 C ATOM 1263 O ILE A 88 4.693 20.005 23.564 1.00 0.00 O ATOM 1264 CB ILE A 88 2.176 19.022 21.842 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.889 19.842 21.959 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.879 17.725 21.087 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.208 19.926 20.592 1.00 0.00 C ATOM 0 H ILE A 88 2.453 20.479 24.369 1.00 0.00 H new ATOM 0 HA ILE A 88 2.501 17.641 23.457 1.00 0.00 H new ATOM 0 HB ILE A 88 2.922 19.606 21.303 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.217 19.382 22.684 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.116 20.843 22.326 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.492 17.961 20.096 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.795 17.143 20.989 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.138 17.145 21.637 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.708 20.510 20.677 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.879 20.406 19.880 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.033 18.922 20.243 1.00 0.00 H new ATOM 1279 N ILE A 89 4.998 17.929 22.916 1.00 0.00 N ATOM 1280 CA ILE A 89 6.470 18.091 22.910 1.00 0.00 C ATOM 1281 C ILE A 89 6.995 17.919 21.483 1.00 0.00 C ATOM 1282 O ILE A 89 6.294 17.458 20.604 1.00 0.00 O ATOM 1283 CB ILE A 89 7.083 17.025 23.814 1.00 0.00 C ATOM 1284 CG1 ILE A 89 6.697 17.298 25.271 1.00 0.00 C ATOM 1285 CG2 ILE A 89 8.598 17.060 23.672 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.901 18.780 25.590 1.00 0.00 C ATOM 0 H ILE A 89 4.664 17.004 22.646 1.00 0.00 H new ATOM 0 HA ILE A 89 6.739 19.083 23.272 1.00 0.00 H new ATOM 0 HB ILE A 89 6.710 16.043 23.524 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.657 17.020 25.440 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.303 16.686 25.939 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.041 16.300 24.316 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.871 16.862 22.636 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.968 18.043 23.963 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.625 18.970 26.627 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.948 19.044 25.438 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.276 19.383 24.932 1.00 0.00 H new ATOM 1298 N MET A 90 8.226 18.281 21.248 1.00 0.00 N ATOM 1299 CA MET A 90 8.800 18.135 19.883 1.00 0.00 C ATOM 1300 C MET A 90 10.147 17.423 19.979 1.00 0.00 C ATOM 1301 O MET A 90 11.167 18.027 20.245 1.00 0.00 O ATOM 1302 CB MET A 90 8.999 19.513 19.259 1.00 0.00 C ATOM 1303 CG MET A 90 9.558 19.355 17.844 1.00 0.00 C ATOM 1304 SD MET A 90 8.462 18.285 16.881 1.00 0.00 S ATOM 1305 CE MET A 90 9.350 18.404 15.309 1.00 0.00 C ATOM 0 H MET A 90 8.860 18.672 21.945 1.00 0.00 H new ATOM 0 HA MET A 90 8.118 17.554 19.262 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.052 20.051 19.229 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.683 20.105 19.868 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.646 20.330 17.365 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.560 18.928 17.883 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.684 18.123 14.493 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.693 19.428 15.162 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.208 17.732 15.324 1.00 0.00 H new ATOM 1315 N THR A 91 10.152 16.143 19.765 1.00 0.00 N ATOM 1316 CA THR A 91 11.426 15.375 19.842 1.00 0.00 C ATOM 1317 C THR A 91 12.018 15.231 18.438 1.00 0.00 C ATOM 1318 O THR A 91 11.380 15.570 17.461 1.00 0.00 O ATOM 1319 CB THR A 91 11.148 13.987 20.426 1.00 0.00 C ATOM 1320 OG1 THR A 91 9.747 13.819 20.593 1.00 0.00 O ATOM 1321 CG2 THR A 91 11.845 13.851 21.780 1.00 0.00 C ATOM 0 H THR A 91 9.326 15.589 19.539 1.00 0.00 H new ATOM 0 HA THR A 91 12.133 15.903 20.482 1.00 0.00 H new ATOM 0 HB THR A 91 11.529 13.224 19.747 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.566 12.931 20.965 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.646 12.863 22.194 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.920 13.981 21.651 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.467 14.613 22.462 1.00 0.00 H new ATOM 1329 N PRO A 92 13.226 14.728 18.379 1.00 0.00 N ATOM 1330 CA PRO A 92 13.927 14.527 17.100 1.00 0.00 C ATOM 1331 C PRO A 92 13.116 13.593 16.198 1.00 0.00 C ATOM 1332 O PRO A 92 13.360 13.493 15.012 1.00 0.00 O ATOM 1333 CB PRO A 92 15.269 13.888 17.483 1.00 0.00 C ATOM 1334 CG PRO A 92 15.316 13.783 19.030 1.00 0.00 C ATOM 1335 CD PRO A 92 13.984 14.322 19.575 1.00 0.00 C ATOM 0 HA PRO A 92 14.064 15.456 16.547 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.366 12.902 17.029 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.099 14.491 17.115 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.465 12.748 19.339 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.153 14.358 19.427 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.450 13.559 20.142 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.144 15.165 20.247 1.00 0.00 H new ATOM 1343 N GLU A 93 12.150 12.910 16.751 1.00 0.00 N ATOM 1344 CA GLU A 93 11.324 11.987 15.922 1.00 0.00 C ATOM 1345 C GLU A 93 10.577 12.794 14.858 1.00 0.00 C ATOM 1346 O GLU A 93 10.411 12.357 13.737 1.00 0.00 O ATOM 1347 CB GLU A 93 10.316 11.252 16.811 1.00 0.00 C ATOM 1348 CG GLU A 93 9.790 12.200 17.891 1.00 0.00 C ATOM 1349 CD GLU A 93 8.298 11.944 18.112 1.00 0.00 C ATOM 1350 OE1 GLU A 93 7.755 11.092 17.427 1.00 0.00 O ATOM 1351 OE2 GLU A 93 7.723 12.604 18.961 1.00 0.00 O ATOM 0 H GLU A 93 11.898 12.951 17.738 1.00 0.00 H new ATOM 0 HA GLU A 93 11.973 11.256 15.439 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.489 10.879 16.207 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.789 10.386 17.273 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.338 12.048 18.821 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.952 13.235 17.591 1.00 0.00 H new ATOM 1358 N LEU A 94 10.128 13.973 15.198 1.00 0.00 N ATOM 1359 CA LEU A 94 9.398 14.807 14.202 1.00 0.00 C ATOM 1360 C LEU A 94 10.380 15.774 13.538 1.00 0.00 C ATOM 1361 O LEU A 94 11.245 16.331 14.183 1.00 0.00 O ATOM 1362 CB LEU A 94 8.300 15.603 14.909 1.00 0.00 C ATOM 1363 CG LEU A 94 7.125 14.680 15.233 1.00 0.00 C ATOM 1364 CD1 LEU A 94 6.982 14.548 16.750 1.00 0.00 C ATOM 1365 CD2 LEU A 94 5.839 15.272 14.651 1.00 0.00 C ATOM 0 H LEU A 94 10.235 14.393 16.121 1.00 0.00 H new ATOM 0 HA LEU A 94 8.949 14.163 13.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.691 16.046 15.825 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.966 16.424 14.275 1.00 0.00 H new ATOM 0 HG LEU A 94 7.305 13.697 14.798 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.144 13.890 16.981 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.898 14.129 17.167 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.802 15.531 17.185 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.000 14.616 14.881 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.661 16.255 15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.939 15.368 13.570 1.00 0.00 H new ATOM 1377 N ASP A 95 10.257 15.979 12.255 1.00 0.00 N ATOM 1378 CA ASP A 95 11.191 16.911 11.563 1.00 0.00 C ATOM 1379 C ASP A 95 10.419 17.766 10.557 1.00 0.00 C ATOM 1380 O ASP A 95 9.736 17.258 9.690 1.00 0.00 O ATOM 1381 CB ASP A 95 12.267 16.107 10.831 1.00 0.00 C ATOM 1382 CG ASP A 95 11.603 15.046 9.952 1.00 0.00 C ATOM 1383 OD1 ASP A 95 10.758 14.328 10.460 1.00 0.00 O ATOM 1384 OD2 ASP A 95 11.951 14.969 8.785 1.00 0.00 O ATOM 0 H ASP A 95 9.553 15.544 11.659 1.00 0.00 H new ATOM 0 HA ASP A 95 11.661 17.561 12.301 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.878 16.770 10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.934 15.632 11.551 1.00 0.00 H new ATOM 1389 N GLY A 96 10.521 19.062 10.667 1.00 0.00 N ATOM 1390 CA GLY A 96 9.792 19.950 9.720 1.00 0.00 C ATOM 1391 C GLY A 96 8.298 19.894 10.032 1.00 0.00 C ATOM 1392 O GLY A 96 7.467 19.885 9.145 1.00 0.00 O ATOM 0 H GLY A 96 11.078 19.544 11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.156 20.974 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.974 19.634 8.693 1.00 0.00 H new ATOM 1396 N ILE A 97 7.949 19.854 11.289 1.00 0.00 N ATOM 1397 CA ILE A 97 6.507 19.794 11.656 1.00 0.00 C ATOM 1398 C ILE A 97 5.864 21.155 11.400 1.00 0.00 C ATOM 1399 O ILE A 97 6.497 22.184 11.526 1.00 0.00 O ATOM 1400 CB ILE A 97 6.360 19.414 13.136 1.00 0.00 C ATOM 1401 CG1 ILE A 97 4.922 19.700 13.603 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.356 20.216 13.980 1.00 0.00 C ATOM 1403 CD1 ILE A 97 4.762 21.178 13.981 1.00 0.00 C ATOM 0 H ILE A 97 8.599 19.860 12.075 1.00 0.00 H new ATOM 0 HA ILE A 97 6.008 19.039 11.049 1.00 0.00 H new ATOM 0 HB ILE A 97 6.570 18.351 13.258 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.219 19.443 12.811 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.680 19.071 14.460 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.247 19.942 15.029 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.372 19.996 13.651 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.159 21.281 13.861 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.739 21.361 14.309 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.451 21.424 14.789 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.982 21.801 13.114 1.00 0.00 H new ATOM 1415 N VAL A 98 4.611 21.174 11.034 1.00 0.00 N ATOM 1416 CA VAL A 98 3.944 22.474 10.766 1.00 0.00 C ATOM 1417 C VAL A 98 2.803 22.687 11.761 1.00 0.00 C ATOM 1418 O VAL A 98 1.756 22.079 11.661 1.00 0.00 O ATOM 1419 CB VAL A 98 3.383 22.476 9.345 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.078 23.913 8.921 1.00 0.00 C ATOM 1421 CG2 VAL A 98 4.414 21.870 8.390 1.00 0.00 C ATOM 0 H VAL A 98 4.025 20.348 10.910 1.00 0.00 H new ATOM 0 HA VAL A 98 4.672 23.278 10.874 1.00 0.00 H new ATOM 0 HB VAL A 98 2.467 21.886 9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.678 23.916 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.345 24.345 9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.994 24.503 8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.015 21.871 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.329 22.461 8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.633 20.846 8.693 1.00 0.00 H new ATOM 1431 N VAL A 99 2.989 23.567 12.704 1.00 0.00 N ATOM 1432 CA VAL A 99 1.907 23.843 13.685 1.00 0.00 C ATOM 1433 C VAL A 99 1.229 25.139 13.263 1.00 0.00 C ATOM 1434 O VAL A 99 1.870 26.048 12.780 1.00 0.00 O ATOM 1435 CB VAL A 99 2.484 23.993 15.099 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.431 22.642 15.815 1.00 0.00 C ATOM 1437 CG2 VAL A 99 3.937 24.468 15.024 1.00 0.00 C ATOM 0 H VAL A 99 3.844 24.107 12.837 1.00 0.00 H new ATOM 0 HA VAL A 99 1.195 23.018 13.702 1.00 0.00 H new ATOM 0 HB VAL A 99 1.894 24.727 15.649 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.840 22.746 16.820 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.397 22.304 15.878 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.018 21.912 15.258 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.338 24.572 16.032 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.530 23.740 14.471 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.979 25.431 14.516 1.00 0.00 H new ATOM 1447 N ASP A 100 -0.057 25.234 13.412 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.743 26.480 12.983 1.00 0.00 C ATOM 1449 C ASP A 100 -1.507 27.090 14.150 1.00 0.00 C ATOM 1450 O ASP A 100 -1.551 26.550 15.237 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.717 26.163 11.847 1.00 0.00 C ATOM 1452 CG ASP A 100 -1.019 25.287 10.805 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.187 25.128 10.906 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -1.701 24.789 9.925 1.00 0.00 O ATOM 0 H ASP A 100 -0.659 24.512 13.808 1.00 0.00 H new ATOM 0 HA ASP A 100 0.005 27.193 12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.595 25.650 12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.067 27.086 11.386 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.112 28.216 13.921 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.888 28.880 15.009 1.00 0.00 C ATOM 1461 C VAL A 101 -4.380 28.757 14.695 1.00 0.00 C ATOM 1462 O VAL A 101 -4.774 28.786 13.546 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.477 30.365 15.114 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.454 31.142 16.001 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -1.073 30.453 15.718 1.00 0.00 C ATOM 0 H VAL A 101 -2.106 28.710 13.028 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.679 28.399 15.965 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.491 30.802 14.116 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.142 32.185 16.059 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.456 31.086 15.575 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.460 30.709 17.001 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.775 31.499 15.796 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.075 30.002 16.710 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.368 29.921 15.079 1.00 0.00 H new ATOM 1475 N PRO A 102 -5.165 28.609 15.731 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.622 28.459 15.597 1.00 0.00 C ATOM 1477 C PRO A 102 -7.216 29.565 14.725 1.00 0.00 C ATOM 1478 O PRO A 102 -6.510 30.378 14.164 1.00 0.00 O ATOM 1479 CB PRO A 102 -7.157 28.568 17.020 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.938 28.557 17.975 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.671 28.583 17.118 1.00 0.00 C ATOM 0 HA PRO A 102 -6.886 27.516 15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.734 29.485 17.144 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.827 27.737 17.243 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.967 29.420 18.641 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.955 27.668 18.605 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.061 29.459 17.338 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.049 27.707 17.302 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.517 29.606 14.626 1.00 0.00 N ATOM 1490 CA ASP A 103 -9.177 30.665 13.816 1.00 0.00 C ATOM 1491 C ASP A 103 -9.688 31.739 14.774 1.00 0.00 C ATOM 1492 O ASP A 103 -9.816 32.899 14.437 1.00 0.00 O ATOM 1493 CB ASP A 103 -10.331 30.040 13.010 1.00 0.00 C ATOM 1494 CG ASP A 103 -11.679 30.233 13.721 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -11.725 30.045 14.925 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -12.640 30.563 13.046 1.00 0.00 O ATOM 0 H ASP A 103 -9.153 28.947 15.075 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.480 31.116 13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.372 30.493 12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.142 28.976 12.867 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.966 31.335 15.974 1.00 0.00 N ATOM 1502 CA ARG A 104 -10.461 32.283 17.008 1.00 0.00 C ATOM 1503 C ARG A 104 -9.624 32.101 18.277 1.00 0.00 C ATOM 1504 O ARG A 104 -9.132 31.025 18.553 1.00 0.00 O ATOM 1505 CB ARG A 104 -11.931 31.977 17.313 1.00 0.00 C ATOM 1506 CG ARG A 104 -12.721 33.279 17.491 1.00 0.00 C ATOM 1507 CD ARG A 104 -12.421 34.253 16.345 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.225 33.510 15.065 1.00 0.00 N ATOM 1509 CZ ARG A 104 -12.285 34.147 13.925 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -12.530 35.430 13.901 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -12.100 33.500 12.807 1.00 0.00 N ATOM 0 H ARG A 104 -9.870 30.370 16.291 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.375 33.309 16.651 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.363 31.390 16.503 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.004 31.373 18.218 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -13.789 33.062 17.521 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.463 33.740 18.444 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.242 34.962 16.239 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.527 34.832 16.577 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.044 32.506 15.080 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.675 35.938 14.774 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.576 35.924 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.909 32.498 12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.147 33.996 11.917 1.00 0.00 H new ATOM 1525 N GLN A 105 -9.447 33.139 19.047 1.00 0.00 N ATOM 1526 CA GLN A 105 -8.631 33.006 20.286 1.00 0.00 C ATOM 1527 C GLN A 105 -9.461 33.423 21.502 1.00 0.00 C ATOM 1528 O GLN A 105 -8.980 34.096 22.391 1.00 0.00 O ATOM 1529 CB GLN A 105 -7.397 33.904 20.181 1.00 0.00 C ATOM 1530 CG GLN A 105 -6.666 33.617 18.868 1.00 0.00 C ATOM 1531 CD GLN A 105 -5.571 34.663 18.653 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -4.413 34.411 18.920 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -5.891 35.836 18.179 1.00 0.00 N ATOM 0 H GLN A 105 -9.830 34.068 18.873 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.321 31.968 20.402 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.693 34.952 20.223 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.732 33.726 21.026 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.230 32.619 18.893 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.370 33.636 18.036 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.863 36.048 17.955 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.169 36.541 18.033 1.00 0.00 H new ATOM 1542 N TRP A 106 -10.703 33.026 21.552 1.00 0.00 N ATOM 1543 CA TRP A 106 -11.555 33.400 22.716 1.00 0.00 C ATOM 1544 C TRP A 106 -11.493 34.914 22.928 1.00 0.00 C ATOM 1545 O TRP A 106 -12.101 35.627 22.147 1.00 0.00 O ATOM 1546 CB TRP A 106 -11.043 32.688 23.970 1.00 0.00 C ATOM 1547 CG TRP A 106 -11.706 31.354 24.090 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -11.115 30.165 23.829 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -13.073 31.052 24.494 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -12.033 29.153 24.047 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -13.254 29.650 24.459 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -14.161 31.852 24.883 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -14.473 29.061 24.798 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -15.390 31.264 25.226 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -15.545 29.871 25.183 1.00 0.00 C ATOM 1556 OXT TRP A 106 -10.838 35.335 23.867 1.00 0.00 O ATOM 0 H TRP A 106 -11.164 32.460 20.839 1.00 0.00 H new ATOM 0 HA TRP A 106 -12.586 33.103 22.523 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -9.961 32.565 23.916 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -11.251 33.291 24.854 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -10.094 30.028 23.504 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.833 28.161 23.919 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -14.052 32.926 24.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.587 27.988 24.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -16.220 31.888 25.524 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.492 29.424 25.447 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -3.840 26.467 27.968 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -2.846 24.814 26.116 1.00 0.00 FE HETATM 1570 S1 FES A 107 -4.391 24.363 27.619 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.155 26.840 26.609 1.00 0.00 S