USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ -170:sc= 0.939 (180deg=-0.128) USER MOD Set 1.2: A 64 TYR OH : rot 29:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.18 (180deg=0.636) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 6 SER OG : rot -100:sc= -0.0964 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 44:sc= 0.325 USER MOD Single : A 37 GLN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.0651 K(o=0.065,f=-2.9!) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.663 K(o=-0.66,f=-2.5!) USER MOD Single : A 54 GLN : amide:sc= -0.296 K(o=-0.3,f=-6.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 110:sc= -5.99! USER MOD Single : A 70 GLN :FLIP amide:sc= -1 F(o=-2.8!,f=-1) USER MOD Single : A 72 SER OG : rot 34:sc= 0.0973 USER MOD Single : A 78 SER OG : rot 35:sc= 0.443 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.821 7.542 9.758 1.00 71.23 N ATOM 2 CA MET A 1 -5.374 6.692 8.630 1.00 25.45 C ATOM 3 C MET A 1 -4.606 5.453 9.137 1.00 64.31 C ATOM 4 O MET A 1 -3.992 5.486 10.208 1.00 35.31 O ATOM 5 CB MET A 1 -4.489 7.517 7.657 1.00 11.53 C ATOM 6 CG MET A 1 -5.232 8.628 6.898 1.00 44.25 C ATOM 7 SD MET A 1 -5.926 9.886 7.991 1.00 54.42 S ATOM 8 CE MET A 1 -6.716 10.992 6.817 1.00 42.44 C ATOM 0 H1 MET A 1 -6.038 8.497 9.408 1.00 71.23 H new ATOM 0 H2 MET A 1 -6.673 7.128 10.188 1.00 71.23 H new ATOM 0 H3 MET A 1 -5.066 7.598 10.471 1.00 71.23 H new ATOM 0 HA MET A 1 -6.258 6.343 8.096 1.00 25.45 H new ATOM 0 HB2 MET A 1 -3.672 7.966 8.222 1.00 11.53 H new ATOM 0 HB3 MET A 1 -4.040 6.838 6.932 1.00 11.53 H new ATOM 0 HG2 MET A 1 -4.546 9.103 6.196 1.00 44.25 H new ATOM 0 HG3 MET A 1 -6.034 8.184 6.309 1.00 44.25 H new ATOM 0 HE1 MET A 1 -7.186 11.816 7.353 1.00 42.44 H new ATOM 0 HE2 MET A 1 -5.968 11.386 6.129 1.00 42.44 H new ATOM 0 HE3 MET A 1 -7.474 10.446 6.256 1.00 42.44 H new ATOM 18 N THR A 2 -4.658 4.366 8.345 1.00 13.51 N ATOM 19 CA THR A 2 -3.926 3.105 8.624 1.00 13.24 C ATOM 20 C THR A 2 -2.473 3.240 8.099 1.00 74.54 C ATOM 21 O THR A 2 -2.182 2.943 6.943 1.00 40.04 O ATOM 22 CB THR A 2 -4.688 1.883 7.972 1.00 62.21 C ATOM 23 OG1 THR A 2 -6.043 1.857 8.449 1.00 74.11 O ATOM 24 CG2 THR A 2 -4.061 0.506 8.261 1.00 43.32 C ATOM 0 H THR A 2 -5.210 4.332 7.488 1.00 13.51 H new ATOM 0 HA THR A 2 -3.882 2.918 9.697 1.00 13.24 H new ATOM 0 HB THR A 2 -4.626 2.044 6.896 1.00 62.21 H new ATOM 0 HG1 THR A 2 -6.518 1.101 8.045 1.00 74.11 H new ATOM 0 HG21 THR A 2 -4.650 -0.271 7.774 1.00 43.32 H new ATOM 0 HG22 THR A 2 -3.041 0.483 7.877 1.00 43.32 H new ATOM 0 HG23 THR A 2 -4.047 0.331 9.337 1.00 43.32 H new ATOM 32 N ARG A 3 -1.578 3.756 8.965 1.00 2.51 N ATOM 33 CA ARG A 3 -0.224 4.234 8.570 1.00 72.45 C ATOM 34 C ARG A 3 0.874 3.178 8.854 1.00 41.25 C ATOM 35 O ARG A 3 0.898 2.574 9.927 1.00 2.12 O ATOM 36 CB ARG A 3 0.100 5.540 9.338 1.00 15.44 C ATOM 37 CG ARG A 3 -0.972 6.641 9.195 1.00 60.42 C ATOM 38 CD ARG A 3 -0.593 7.930 9.934 1.00 12.32 C ATOM 39 NE ARG A 3 0.632 8.525 9.378 1.00 21.13 N ATOM 40 CZ ARG A 3 1.466 9.305 10.024 1.00 61.43 C ATOM 41 NH1 ARG A 3 1.348 9.539 11.293 1.00 62.52 N ATOM 42 NH2 ARG A 3 2.447 9.829 9.388 1.00 22.51 N ATOM 0 H ARG A 3 -1.768 3.856 9.962 1.00 2.51 H new ATOM 0 HA ARG A 3 -0.234 4.416 7.495 1.00 72.45 H new ATOM 0 HB2 ARG A 3 0.225 5.305 10.395 1.00 15.44 H new ATOM 0 HB3 ARG A 3 1.054 5.930 8.983 1.00 15.44 H new ATOM 0 HG2 ARG A 3 -1.122 6.863 8.138 1.00 60.42 H new ATOM 0 HG3 ARG A 3 -1.922 6.271 9.581 1.00 60.42 H new ATOM 0 HD2 ARG A 3 -1.412 8.646 9.864 1.00 12.32 H new ATOM 0 HD3 ARG A 3 -0.447 7.715 10.993 1.00 12.32 H new ATOM 0 HE ARG A 3 0.852 8.313 8.405 1.00 21.13 H new ATOM 0 HH11 ARG A 3 0.588 9.111 11.822 1.00 62.52 H new ATOM 0 HH12 ARG A 3 2.015 10.151 11.763 1.00 62.52 H new ATOM 0 HH21 ARG A 3 2.571 9.638 8.394 1.00 22.51 H new ATOM 0 HH22 ARG A 3 3.104 10.438 9.876 1.00 22.51 H new ATOM 56 N VAL A 4 1.790 2.980 7.876 1.00 3.34 N ATOM 57 CA VAL A 4 2.897 1.983 7.960 1.00 63.32 C ATOM 58 C VAL A 4 4.240 2.631 7.514 1.00 10.35 C ATOM 59 O VAL A 4 4.259 3.456 6.606 1.00 43.01 O ATOM 60 CB VAL A 4 2.604 0.730 7.040 1.00 71.33 C ATOM 61 CG1 VAL A 4 3.698 -0.361 7.166 1.00 32.24 C ATOM 62 CG2 VAL A 4 1.195 0.136 7.316 1.00 34.13 C ATOM 0 H VAL A 4 1.786 3.506 7.002 1.00 3.34 H new ATOM 0 HA VAL A 4 2.969 1.655 8.997 1.00 63.32 H new ATOM 0 HB VAL A 4 2.623 1.090 6.011 1.00 71.33 H new ATOM 0 HG11 VAL A 4 3.452 -1.200 6.515 1.00 32.24 H new ATOM 0 HG12 VAL A 4 4.662 0.055 6.873 1.00 32.24 H new ATOM 0 HG13 VAL A 4 3.751 -0.706 8.199 1.00 32.24 H new ATOM 0 HG21 VAL A 4 1.029 -0.723 6.666 1.00 34.13 H new ATOM 0 HG22 VAL A 4 1.131 -0.179 8.357 1.00 34.13 H new ATOM 0 HG23 VAL A 4 0.436 0.893 7.118 1.00 34.13 H new ATOM 72 N ARG A 5 5.362 2.257 8.166 1.00 25.13 N ATOM 73 CA ARG A 5 6.721 2.687 7.740 1.00 35.33 C ATOM 74 C ARG A 5 7.350 1.644 6.773 1.00 62.34 C ATOM 75 O ARG A 5 7.127 0.440 6.918 1.00 22.01 O ATOM 76 CB ARG A 5 7.657 2.876 8.974 1.00 71.12 C ATOM 77 CG ARG A 5 9.104 3.326 8.620 1.00 1.40 C ATOM 78 CD ARG A 5 10.109 3.202 9.779 1.00 64.53 C ATOM 79 NE ARG A 5 9.838 4.135 10.885 1.00 22.52 N ATOM 80 CZ ARG A 5 10.733 4.562 11.753 1.00 11.30 C ATOM 81 NH1 ARG A 5 11.969 4.152 11.709 1.00 1.52 N ATOM 82 NH2 ARG A 5 10.372 5.398 12.671 1.00 73.41 N ATOM 0 H ARG A 5 5.358 1.657 8.991 1.00 25.13 H new ATOM 0 HA ARG A 5 6.618 3.641 7.222 1.00 35.33 H new ATOM 0 HB2 ARG A 5 7.213 3.614 9.642 1.00 71.12 H new ATOM 0 HB3 ARG A 5 7.706 1.937 9.525 1.00 71.12 H new ATOM 0 HG2 ARG A 5 9.461 2.731 7.780 1.00 1.40 H new ATOM 0 HG3 ARG A 5 9.078 4.364 8.287 1.00 1.40 H new ATOM 0 HD2 ARG A 5 10.089 2.181 10.161 1.00 64.53 H new ATOM 0 HD3 ARG A 5 11.115 3.381 9.400 1.00 64.53 H new ATOM 0 HE ARG A 5 8.883 4.478 10.988 1.00 22.52 H new ATOM 0 HH11 ARG A 5 12.261 3.487 10.992 1.00 1.52 H new ATOM 0 HH12 ARG A 5 12.645 4.496 12.391 1.00 1.52 H new ATOM 0 HH21 ARG A 5 9.405 5.719 12.717 1.00 73.41 H new ATOM 0 HH22 ARG A 5 11.054 5.737 13.349 1.00 73.41 H new ATOM 96 N SER A 6 8.135 2.128 5.793 1.00 40.41 N ATOM 97 CA SER A 6 9.033 1.281 4.960 1.00 5.31 C ATOM 98 C SER A 6 10.498 1.754 5.109 1.00 24.13 C ATOM 99 O SER A 6 10.760 2.848 5.623 1.00 61.31 O ATOM 100 CB SER A 6 8.621 1.326 3.472 1.00 5.01 C ATOM 101 OG SER A 6 9.442 0.485 2.670 1.00 13.42 O ATOM 0 H SER A 6 8.170 3.118 5.550 1.00 40.41 H new ATOM 0 HA SER A 6 8.945 0.253 5.310 1.00 5.31 H new ATOM 0 HB2 SER A 6 7.580 1.018 3.374 1.00 5.01 H new ATOM 0 HB3 SER A 6 8.686 2.351 3.108 1.00 5.01 H new ATOM 0 HG SER A 6 10.121 1.027 2.216 1.00 13.42 H new ATOM 107 N THR A 7 11.448 0.930 4.645 1.00 10.55 N ATOM 108 CA THR A 7 12.893 1.266 4.668 1.00 31.21 C ATOM 109 C THR A 7 13.445 1.471 3.238 1.00 12.23 C ATOM 110 O THR A 7 13.097 0.706 2.330 1.00 2.51 O ATOM 111 CB THR A 7 13.745 0.169 5.417 1.00 1.32 C ATOM 112 OG1 THR A 7 13.034 -1.077 5.448 1.00 24.25 O ATOM 113 CG2 THR A 7 14.107 0.594 6.845 1.00 15.21 C ATOM 0 H THR A 7 11.246 0.014 4.243 1.00 10.55 H new ATOM 0 HA THR A 7 12.984 2.201 5.220 1.00 31.21 H new ATOM 0 HB THR A 7 14.675 0.048 4.861 1.00 1.32 H new ATOM 0 HG1 THR A 7 13.573 -1.750 5.914 1.00 24.25 H new ATOM 0 HG21 THR A 7 14.693 -0.192 7.321 1.00 15.21 H new ATOM 0 HG22 THR A 7 14.691 1.514 6.814 1.00 15.21 H new ATOM 0 HG23 THR A 7 13.194 0.763 7.417 1.00 15.21 H new ATOM 121 N PRO A 8 14.320 2.518 3.035 1.00 52.13 N ATOM 122 CA PRO A 8 15.016 2.786 1.749 1.00 31.25 C ATOM 123 C PRO A 8 15.678 1.537 1.104 1.00 4.44 C ATOM 124 O PRO A 8 16.572 0.925 1.696 1.00 31.15 O ATOM 125 CB PRO A 8 16.086 3.829 2.149 1.00 42.23 C ATOM 126 CG PRO A 8 15.468 4.579 3.284 1.00 10.32 C ATOM 127 CD PRO A 8 14.661 3.556 4.050 1.00 2.41 C ATOM 0 HA PRO A 8 14.315 3.120 0.984 1.00 31.25 H new ATOM 0 HB2 PRO A 8 17.017 3.348 2.450 1.00 42.23 H new ATOM 0 HB3 PRO A 8 16.325 4.492 1.318 1.00 42.23 H new ATOM 0 HG2 PRO A 8 16.231 5.032 3.917 1.00 10.32 H new ATOM 0 HG3 PRO A 8 14.834 5.388 2.921 1.00 10.32 H new ATOM 0 HD2 PRO A 8 15.235 3.133 4.874 1.00 2.41 H new ATOM 0 HD3 PRO A 8 13.764 4.000 4.482 1.00 2.41 H new ATOM 135 N GLY A 9 15.197 1.161 -0.102 1.00 21.12 N ATOM 136 CA GLY A 9 15.764 0.039 -0.878 1.00 55.11 C ATOM 137 C GLY A 9 15.044 -1.294 -0.659 1.00 24.22 C ATOM 138 O GLY A 9 15.033 -2.155 -1.552 1.00 43.41 O ATOM 0 H GLY A 9 14.412 1.623 -0.560 1.00 21.12 H new ATOM 0 HA2 GLY A 9 15.729 0.289 -1.938 1.00 55.11 H new ATOM 0 HA3 GLY A 9 16.815 -0.079 -0.613 1.00 55.11 H new ATOM 142 N GLY A 10 14.438 -1.461 0.530 1.00 30.44 N ATOM 143 CA GLY A 10 13.719 -2.692 0.888 1.00 33.21 C ATOM 144 C GLY A 10 12.286 -2.737 0.355 1.00 74.55 C ATOM 145 O GLY A 10 11.824 -1.807 -0.320 1.00 32.14 O ATOM 0 H GLY A 10 14.434 -0.752 1.263 1.00 30.44 H new ATOM 0 HA2 GLY A 10 14.269 -3.550 0.502 1.00 33.21 H new ATOM 0 HA3 GLY A 10 13.698 -2.789 1.973 1.00 33.21 H new ATOM 149 N ASP A 11 11.583 -3.837 0.647 1.00 12.33 N ATOM 150 CA ASP A 11 10.176 -4.012 0.245 1.00 71.30 C ATOM 151 C ASP A 11 9.206 -3.511 1.344 1.00 41.40 C ATOM 152 O ASP A 11 9.345 -3.853 2.524 1.00 1.11 O ATOM 153 CB ASP A 11 9.895 -5.497 -0.136 1.00 33.25 C ATOM 154 CG ASP A 11 10.317 -6.506 0.941 1.00 32.51 C ATOM 155 OD1 ASP A 11 11.524 -6.819 1.035 1.00 73.42 O ATOM 156 OD2 ASP A 11 9.460 -6.979 1.709 1.00 50.33 O ATOM 0 H ASP A 11 11.967 -4.628 1.165 1.00 12.33 H new ATOM 0 HA ASP A 11 9.998 -3.400 -0.639 1.00 71.30 H new ATOM 0 HB2 ASP A 11 8.830 -5.616 -0.334 1.00 33.25 H new ATOM 0 HB3 ASP A 11 10.419 -5.729 -1.063 1.00 33.25 H new ATOM 161 N LEU A 12 8.247 -2.670 0.935 1.00 34.32 N ATOM 162 CA LEU A 12 7.104 -2.265 1.771 1.00 63.11 C ATOM 163 C LEU A 12 6.094 -3.435 1.858 1.00 22.21 C ATOM 164 O LEU A 12 6.035 -4.258 0.951 1.00 51.24 O ATOM 165 CB LEU A 12 6.442 -1.003 1.136 1.00 31.41 C ATOM 166 CG LEU A 12 5.097 -0.503 1.760 1.00 71.20 C ATOM 167 CD1 LEU A 12 5.257 -0.115 3.246 1.00 31.11 C ATOM 168 CD2 LEU A 12 4.505 0.663 0.930 1.00 4.21 C ATOM 0 H LEU A 12 8.241 -2.247 0.007 1.00 34.32 H new ATOM 0 HA LEU A 12 7.435 -2.021 2.781 1.00 63.11 H new ATOM 0 HB2 LEU A 12 7.161 -0.185 1.186 1.00 31.41 H new ATOM 0 HB3 LEU A 12 6.267 -1.210 0.080 1.00 31.41 H new ATOM 0 HG LEU A 12 4.392 -1.334 1.726 1.00 71.20 H new ATOM 0 HD11 LEU A 12 4.299 0.226 3.638 1.00 31.11 H new ATOM 0 HD12 LEU A 12 5.594 -0.982 3.814 1.00 31.11 H new ATOM 0 HD13 LEU A 12 5.992 0.685 3.336 1.00 31.11 H new ATOM 0 HD21 LEU A 12 3.570 0.994 1.383 1.00 4.21 H new ATOM 0 HD22 LEU A 12 5.213 1.492 0.911 1.00 4.21 H new ATOM 0 HD23 LEU A 12 4.315 0.325 -0.089 1.00 4.21 H new ATOM 180 N GLU A 13 5.356 -3.534 2.974 1.00 10.43 N ATOM 181 CA GLU A 13 4.214 -4.463 3.105 1.00 20.35 C ATOM 182 C GLU A 13 3.098 -3.810 3.949 1.00 65.21 C ATOM 183 O GLU A 13 3.289 -3.523 5.136 1.00 62.53 O ATOM 184 CB GLU A 13 4.649 -5.817 3.731 1.00 13.40 C ATOM 185 CG GLU A 13 3.501 -6.834 3.848 1.00 55.53 C ATOM 186 CD GLU A 13 3.923 -8.171 4.473 1.00 23.32 C ATOM 187 OE1 GLU A 13 3.885 -8.301 5.717 1.00 33.12 O ATOM 188 OE2 GLU A 13 4.291 -9.099 3.723 1.00 53.30 O ATOM 0 H GLU A 13 5.530 -2.976 3.810 1.00 10.43 H new ATOM 0 HA GLU A 13 3.831 -4.672 2.106 1.00 20.35 H new ATOM 0 HB2 GLU A 13 5.446 -6.249 3.126 1.00 13.40 H new ATOM 0 HB3 GLU A 13 5.064 -5.634 4.722 1.00 13.40 H new ATOM 0 HG2 GLU A 13 2.702 -6.399 4.448 1.00 55.53 H new ATOM 0 HG3 GLU A 13 3.090 -7.020 2.856 1.00 55.53 H new ATOM 195 N LEU A 14 1.936 -3.571 3.318 1.00 54.22 N ATOM 196 CA LEU A 14 0.762 -2.971 3.975 1.00 65.31 C ATOM 197 C LEU A 14 -0.233 -4.075 4.369 1.00 14.12 C ATOM 198 O LEU A 14 -0.967 -4.575 3.522 1.00 71.14 O ATOM 199 CB LEU A 14 0.106 -1.959 2.992 1.00 11.14 C ATOM 200 CG LEU A 14 1.048 -0.829 2.481 1.00 63.33 C ATOM 201 CD1 LEU A 14 0.362 0.057 1.435 1.00 53.40 C ATOM 202 CD2 LEU A 14 1.581 0.018 3.646 1.00 1.25 C ATOM 0 H LEU A 14 1.784 -3.790 2.333 1.00 54.22 H new ATOM 0 HA LEU A 14 1.062 -2.447 4.882 1.00 65.31 H new ATOM 0 HB2 LEU A 14 -0.277 -2.508 2.132 1.00 11.14 H new ATOM 0 HB3 LEU A 14 -0.751 -1.501 3.485 1.00 11.14 H new ATOM 0 HG LEU A 14 1.895 -1.314 1.996 1.00 63.33 H new ATOM 0 HD11 LEU A 14 1.053 0.832 1.105 1.00 53.40 H new ATOM 0 HD12 LEU A 14 0.065 -0.552 0.581 1.00 53.40 H new ATOM 0 HD13 LEU A 14 -0.521 0.521 1.874 1.00 53.40 H new ATOM 0 HD21 LEU A 14 2.236 0.799 3.259 1.00 1.25 H new ATOM 0 HD22 LEU A 14 0.745 0.475 4.176 1.00 1.25 H new ATOM 0 HD23 LEU A 14 2.141 -0.618 4.332 1.00 1.25 H new ATOM 214 N VAL A 15 -0.246 -4.451 5.657 1.00 11.55 N ATOM 215 CA VAL A 15 -1.196 -5.449 6.192 1.00 32.31 C ATOM 216 C VAL A 15 -2.455 -4.709 6.678 1.00 32.24 C ATOM 217 O VAL A 15 -2.406 -3.951 7.652 1.00 50.44 O ATOM 218 CB VAL A 15 -0.562 -6.300 7.357 1.00 64.51 C ATOM 219 CG1 VAL A 15 -1.554 -7.376 7.876 1.00 2.32 C ATOM 220 CG2 VAL A 15 0.776 -6.940 6.900 1.00 51.11 C ATOM 0 H VAL A 15 0.396 -4.077 6.356 1.00 11.55 H new ATOM 0 HA VAL A 15 -1.455 -6.152 5.401 1.00 32.31 H new ATOM 0 HB VAL A 15 -0.349 -5.628 8.188 1.00 64.51 H new ATOM 0 HG11 VAL A 15 -1.086 -7.945 8.679 1.00 2.32 H new ATOM 0 HG12 VAL A 15 -2.454 -6.890 8.253 1.00 2.32 H new ATOM 0 HG13 VAL A 15 -1.820 -8.049 7.061 1.00 2.32 H new ATOM 0 HG21 VAL A 15 1.198 -7.524 7.718 1.00 51.11 H new ATOM 0 HG22 VAL A 15 0.594 -7.592 6.045 1.00 51.11 H new ATOM 0 HG23 VAL A 15 1.476 -6.155 6.615 1.00 51.11 H new ATOM 230 N VAL A 16 -3.583 -4.937 5.997 1.00 11.51 N ATOM 231 CA VAL A 16 -4.776 -4.081 6.130 1.00 4.41 C ATOM 232 C VAL A 16 -5.798 -4.660 7.127 1.00 11.34 C ATOM 233 O VAL A 16 -6.259 -5.796 6.984 1.00 4.05 O ATOM 234 CB VAL A 16 -5.466 -3.879 4.733 1.00 4.34 C ATOM 235 CG1 VAL A 16 -6.670 -2.929 4.823 1.00 44.20 C ATOM 236 CG2 VAL A 16 -4.454 -3.373 3.686 1.00 53.25 C ATOM 0 H VAL A 16 -3.699 -5.711 5.343 1.00 11.51 H new ATOM 0 HA VAL A 16 -4.436 -3.120 6.516 1.00 4.41 H new ATOM 0 HB VAL A 16 -5.837 -4.853 4.413 1.00 4.34 H new ATOM 0 HG11 VAL A 16 -7.119 -2.816 3.836 1.00 44.20 H new ATOM 0 HG12 VAL A 16 -7.407 -3.341 5.512 1.00 44.20 H new ATOM 0 HG13 VAL A 16 -6.339 -1.955 5.185 1.00 44.20 H new ATOM 0 HG21 VAL A 16 -4.957 -3.241 2.728 1.00 53.25 H new ATOM 0 HG22 VAL A 16 -4.039 -2.419 4.012 1.00 53.25 H new ATOM 0 HG23 VAL A 16 -3.649 -4.100 3.577 1.00 53.25 H new ATOM 246 N HIS A 17 -6.116 -3.859 8.159 1.00 3.42 N ATOM 247 CA HIS A 17 -7.209 -4.132 9.102 1.00 1.31 C ATOM 248 C HIS A 17 -8.227 -2.965 9.039 1.00 53.42 C ATOM 249 O HIS A 17 -8.296 -2.105 9.926 1.00 13.21 O ATOM 250 CB HIS A 17 -6.640 -4.364 10.529 1.00 5.22 C ATOM 251 CG HIS A 17 -5.709 -5.555 10.603 1.00 23.23 C ATOM 252 ND1 HIS A 17 -6.161 -6.848 10.763 1.00 20.23 N ATOM 253 CD2 HIS A 17 -4.355 -5.653 10.494 1.00 41.35 C ATOM 254 CE1 HIS A 17 -5.144 -7.679 10.748 1.00 74.21 C ATOM 255 NE2 HIS A 17 -4.040 -6.983 10.587 1.00 15.24 N ATOM 0 H HIS A 17 -5.614 -2.995 8.362 1.00 3.42 H new ATOM 0 HA HIS A 17 -7.734 -5.047 8.829 1.00 1.31 H new ATOM 0 HB2 HIS A 17 -6.106 -3.470 10.852 1.00 5.22 H new ATOM 0 HB3 HIS A 17 -7.466 -4.510 11.225 1.00 5.22 H new ATOM 0 HD2 HIS A 17 -3.661 -4.837 10.360 1.00 41.35 H new ATOM 0 HE1 HIS A 17 -5.204 -8.752 10.851 1.00 74.21 H new ATOM 0 HE2 HIS A 17 -3.098 -7.372 10.539 1.00 15.24 H new ATOM 264 N LEU A 18 -8.940 -2.919 7.898 1.00 0.32 N ATOM 265 CA LEU A 18 -10.058 -1.977 7.620 1.00 73.12 C ATOM 266 C LEU A 18 -11.190 -2.038 8.681 1.00 43.22 C ATOM 267 O LEU A 18 -11.385 -3.059 9.354 1.00 11.15 O ATOM 268 CB LEU A 18 -10.647 -2.307 6.215 1.00 50.21 C ATOM 269 CG LEU A 18 -9.919 -1.695 4.985 1.00 42.24 C ATOM 270 CD1 LEU A 18 -10.393 -2.336 3.664 1.00 13.03 C ATOM 271 CD2 LEU A 18 -10.089 -0.172 4.950 1.00 22.32 C ATOM 0 H LEU A 18 -8.755 -3.550 7.118 1.00 0.32 H new ATOM 0 HA LEU A 18 -9.651 -0.966 7.656 1.00 73.12 H new ATOM 0 HB2 LEU A 18 -10.658 -3.391 6.098 1.00 50.21 H new ATOM 0 HB3 LEU A 18 -11.685 -1.974 6.195 1.00 50.21 H new ATOM 0 HG LEU A 18 -8.857 -1.916 5.090 1.00 42.24 H new ATOM 0 HD11 LEU A 18 -9.861 -1.882 2.828 1.00 13.03 H new ATOM 0 HD12 LEU A 18 -10.189 -3.407 3.685 1.00 13.03 H new ATOM 0 HD13 LEU A 18 -11.464 -2.173 3.544 1.00 13.03 H new ATOM 0 HD21 LEU A 18 -9.571 0.232 4.080 1.00 22.32 H new ATOM 0 HD22 LEU A 18 -11.149 0.074 4.888 1.00 22.32 H new ATOM 0 HD23 LEU A 18 -9.668 0.262 5.857 1.00 22.32 H new ATOM 283 N SER A 19 -11.944 -0.930 8.784 1.00 3.32 N ATOM 284 CA SER A 19 -13.132 -0.827 9.667 1.00 61.25 C ATOM 285 C SER A 19 -14.351 -1.543 9.030 1.00 41.30 C ATOM 286 O SER A 19 -15.189 -2.123 9.734 1.00 20.15 O ATOM 287 CB SER A 19 -13.462 0.659 9.938 1.00 14.12 C ATOM 288 OG SER A 19 -12.357 1.334 10.524 1.00 62.45 O ATOM 0 H SER A 19 -11.752 -0.077 8.259 1.00 3.32 H new ATOM 0 HA SER A 19 -12.905 -1.317 10.614 1.00 61.25 H new ATOM 0 HB2 SER A 19 -13.737 1.149 9.004 1.00 14.12 H new ATOM 0 HB3 SER A 19 -14.325 0.727 10.600 1.00 14.12 H new ATOM 0 HG SER A 19 -12.593 2.272 10.683 1.00 62.45 H new ATOM 294 N GLY A 20 -14.424 -1.495 7.684 1.00 41.33 N ATOM 295 CA GLY A 20 -15.453 -2.208 6.904 1.00 72.21 C ATOM 296 C GLY A 20 -14.886 -2.799 5.599 1.00 73.43 C ATOM 297 O GLY A 20 -15.075 -2.222 4.525 1.00 44.54 O ATOM 0 H GLY A 20 -13.772 -0.961 7.109 1.00 41.33 H new ATOM 0 HA2 GLY A 20 -15.876 -3.009 7.510 1.00 72.21 H new ATOM 0 HA3 GLY A 20 -16.267 -1.523 6.667 1.00 72.21 H new ATOM 301 N PRO A 21 -14.191 -3.973 5.656 1.00 40.31 N ATOM 302 CA PRO A 21 -13.470 -4.545 4.487 1.00 21.53 C ATOM 303 C PRO A 21 -14.396 -5.251 3.456 1.00 42.53 C ATOM 304 O PRO A 21 -15.625 -5.108 3.490 1.00 14.41 O ATOM 305 CB PRO A 21 -12.494 -5.533 5.170 1.00 14.33 C ATOM 306 CG PRO A 21 -13.250 -6.028 6.366 1.00 11.41 C ATOM 307 CD PRO A 21 -14.082 -4.854 6.851 1.00 44.24 C ATOM 0 HA PRO A 21 -12.985 -3.781 3.879 1.00 21.53 H new ATOM 0 HB2 PRO A 21 -12.224 -6.351 4.503 1.00 14.33 H new ATOM 0 HB3 PRO A 21 -11.567 -5.040 5.461 1.00 14.33 H new ATOM 0 HG2 PRO A 21 -13.885 -6.874 6.103 1.00 11.41 H new ATOM 0 HG3 PRO A 21 -12.568 -6.371 7.144 1.00 11.41 H new ATOM 0 HD2 PRO A 21 -15.063 -5.177 7.200 1.00 44.24 H new ATOM 0 HD3 PRO A 21 -13.601 -4.340 7.683 1.00 44.24 H new ATOM 315 N GLY A 22 -13.772 -5.992 2.527 1.00 40.22 N ATOM 316 CA GLY A 22 -14.489 -6.732 1.482 1.00 33.51 C ATOM 317 C GLY A 22 -13.550 -7.313 0.424 1.00 42.12 C ATOM 318 O GLY A 22 -12.323 -7.301 0.592 1.00 24.12 O ATOM 0 H GLY A 22 -12.758 -6.094 2.481 1.00 40.22 H new ATOM 0 HA2 GLY A 22 -15.059 -7.540 1.940 1.00 33.51 H new ATOM 0 HA3 GLY A 22 -15.207 -6.069 1.000 1.00 33.51 H new ATOM 322 N GLY A 23 -14.134 -7.817 -0.673 1.00 4.05 N ATOM 323 CA GLY A 23 -13.366 -8.401 -1.782 1.00 23.13 C ATOM 324 C GLY A 23 -14.075 -8.260 -3.142 1.00 23.14 C ATOM 325 O GLY A 23 -15.288 -8.484 -3.219 1.00 45.20 O ATOM 0 H GLY A 23 -15.144 -7.831 -0.816 1.00 4.05 H new ATOM 0 HA2 GLY A 23 -12.390 -7.919 -1.835 1.00 23.13 H new ATOM 0 HA3 GLY A 23 -13.189 -9.457 -1.578 1.00 23.13 H new ATOM 329 N PRO A 24 -13.357 -7.884 -4.260 1.00 11.10 N ATOM 330 CA PRO A 24 -11.926 -7.462 -4.257 1.00 50.12 C ATOM 331 C PRO A 24 -11.715 -5.982 -3.810 1.00 12.40 C ATOM 332 O PRO A 24 -12.654 -5.177 -3.787 1.00 23.54 O ATOM 333 CB PRO A 24 -11.484 -7.680 -5.743 1.00 14.21 C ATOM 334 CG PRO A 24 -12.670 -8.299 -6.442 1.00 24.12 C ATOM 335 CD PRO A 24 -13.884 -7.894 -5.641 1.00 45.11 C ATOM 0 HA PRO A 24 -11.339 -8.032 -3.537 1.00 50.12 H new ATOM 0 HB2 PRO A 24 -11.205 -6.735 -6.210 1.00 14.21 H new ATOM 0 HB3 PRO A 24 -10.613 -8.333 -5.799 1.00 14.21 H new ATOM 0 HG2 PRO A 24 -12.745 -7.945 -7.470 1.00 24.12 H new ATOM 0 HG3 PRO A 24 -12.575 -9.384 -6.485 1.00 24.12 H new ATOM 0 HD2 PRO A 24 -14.261 -6.916 -5.940 1.00 45.11 H new ATOM 0 HD3 PRO A 24 -14.704 -8.602 -5.759 1.00 45.11 H new ATOM 343 N VAL A 25 -10.462 -5.650 -3.446 1.00 43.13 N ATOM 344 CA VAL A 25 -10.054 -4.283 -3.029 1.00 2.10 C ATOM 345 C VAL A 25 -9.043 -3.689 -4.045 1.00 70.22 C ATOM 346 O VAL A 25 -8.090 -4.363 -4.447 1.00 72.24 O ATOM 347 CB VAL A 25 -9.445 -4.303 -1.575 1.00 63.23 C ATOM 348 CG1 VAL A 25 -8.786 -2.954 -1.191 1.00 24.12 C ATOM 349 CG2 VAL A 25 -10.532 -4.702 -0.537 1.00 51.43 C ATOM 0 H VAL A 25 -9.695 -6.322 -3.431 1.00 43.13 H new ATOM 0 HA VAL A 25 -10.939 -3.646 -3.014 1.00 2.10 H new ATOM 0 HB VAL A 25 -8.655 -5.053 -1.567 1.00 63.23 H new ATOM 0 HG11 VAL A 25 -8.382 -3.021 -0.181 1.00 24.12 H new ATOM 0 HG12 VAL A 25 -7.980 -2.731 -1.890 1.00 24.12 H new ATOM 0 HG13 VAL A 25 -9.532 -2.160 -1.232 1.00 24.12 H new ATOM 0 HG21 VAL A 25 -10.095 -4.711 0.462 1.00 51.43 H new ATOM 0 HG22 VAL A 25 -11.348 -3.981 -0.570 1.00 51.43 H new ATOM 0 HG23 VAL A 25 -10.915 -5.694 -0.775 1.00 51.43 H new ATOM 359 N ARG A 26 -9.255 -2.417 -4.435 1.00 52.01 N ATOM 360 CA ARG A 26 -8.411 -1.706 -5.422 1.00 70.21 C ATOM 361 C ARG A 26 -7.366 -0.825 -4.709 1.00 64.13 C ATOM 362 O ARG A 26 -7.696 -0.079 -3.796 1.00 72.20 O ATOM 363 CB ARG A 26 -9.300 -0.828 -6.346 1.00 55.13 C ATOM 364 CG ARG A 26 -10.269 -1.634 -7.240 1.00 10.24 C ATOM 365 CD ARG A 26 -11.148 -0.743 -8.136 1.00 4.43 C ATOM 366 NE ARG A 26 -12.059 0.116 -7.352 1.00 0.34 N ATOM 367 CZ ARG A 26 -13.188 0.633 -7.791 1.00 44.54 C ATOM 368 NH1 ARG A 26 -13.616 0.410 -8.995 1.00 52.01 N ATOM 369 NH2 ARG A 26 -13.900 1.361 -7.002 1.00 45.14 N ATOM 0 H ARG A 26 -10.021 -1.848 -4.073 1.00 52.01 H new ATOM 0 HA ARG A 26 -7.887 -2.447 -6.026 1.00 70.21 H new ATOM 0 HB2 ARG A 26 -9.879 -0.140 -5.729 1.00 55.13 H new ATOM 0 HB3 ARG A 26 -8.656 -0.221 -6.982 1.00 55.13 H new ATOM 0 HG2 ARG A 26 -9.694 -2.314 -7.868 1.00 10.24 H new ATOM 0 HG3 ARG A 26 -10.910 -2.248 -6.608 1.00 10.24 H new ATOM 0 HD2 ARG A 26 -10.510 -0.117 -8.760 1.00 4.43 H new ATOM 0 HD3 ARG A 26 -11.733 -1.372 -8.807 1.00 4.43 H new ATOM 0 HE ARG A 26 -11.791 0.326 -6.390 1.00 0.34 H new ATOM 0 HH11 ARG A 26 -13.074 -0.179 -9.628 1.00 52.01 H new ATOM 0 HH12 ARG A 26 -14.494 0.823 -9.309 1.00 52.01 H new ATOM 0 HH21 ARG A 26 -13.588 1.533 -6.046 1.00 45.14 H new ATOM 0 HH22 ARG A 26 -14.776 1.766 -7.333 1.00 45.14 H new ATOM 383 N TRP A 27 -6.108 -0.932 -5.142 1.00 31.40 N ATOM 384 CA TRP A 27 -4.978 -0.157 -4.586 1.00 62.24 C ATOM 385 C TRP A 27 -4.578 0.998 -5.509 1.00 21.45 C ATOM 386 O TRP A 27 -4.507 0.828 -6.724 1.00 40.44 O ATOM 387 CB TRP A 27 -3.768 -1.085 -4.340 1.00 34.22 C ATOM 388 CG TRP A 27 -3.919 -1.898 -3.090 1.00 64.23 C ATOM 389 CD1 TRP A 27 -4.411 -3.165 -2.959 1.00 52.22 C ATOM 390 CD2 TRP A 27 -3.608 -1.445 -1.775 1.00 23.42 C ATOM 391 NE1 TRP A 27 -4.371 -3.543 -1.645 1.00 74.14 N ATOM 392 CE2 TRP A 27 -3.893 -2.495 -0.896 1.00 10.24 C ATOM 393 CE3 TRP A 27 -3.097 -0.244 -1.266 1.00 72.35 C ATOM 394 CZ2 TRP A 27 -3.681 -2.389 0.467 1.00 23.11 C ATOM 395 CZ3 TRP A 27 -2.893 -0.138 0.093 1.00 3.55 C ATOM 396 CH2 TRP A 27 -3.191 -1.204 0.949 1.00 74.20 C ATOM 0 H TRP A 27 -5.834 -1.563 -5.895 1.00 31.40 H new ATOM 0 HA TRP A 27 -5.302 0.272 -3.638 1.00 62.24 H new ATOM 0 HB2 TRP A 27 -3.646 -1.753 -5.193 1.00 34.22 H new ATOM 0 HB3 TRP A 27 -2.861 -0.485 -4.273 1.00 34.22 H new ATOM 0 HD1 TRP A 27 -4.777 -3.777 -3.771 1.00 52.22 H new ATOM 0 HE1 TRP A 27 -4.650 -4.454 -1.281 1.00 74.14 H new ATOM 0 HE3 TRP A 27 -2.868 0.581 -1.924 1.00 72.35 H new ATOM 0 HZ2 TRP A 27 -3.895 -3.214 1.130 1.00 23.11 H new ATOM 0 HZ3 TRP A 27 -2.498 0.780 0.503 1.00 3.55 H new ATOM 0 HH2 TRP A 27 -3.031 -1.090 2.011 1.00 74.20 H new ATOM 407 N TYR A 28 -4.313 2.174 -4.912 1.00 44.45 N ATOM 408 CA TYR A 28 -3.853 3.379 -5.639 1.00 63.11 C ATOM 409 C TYR A 28 -2.612 3.983 -4.945 1.00 51.05 C ATOM 410 O TYR A 28 -2.664 4.314 -3.773 1.00 12.00 O ATOM 411 CB TYR A 28 -4.989 4.440 -5.684 1.00 61.02 C ATOM 412 CG TYR A 28 -6.268 3.991 -6.413 1.00 10.01 C ATOM 413 CD1 TYR A 28 -6.402 4.153 -7.793 1.00 32.44 C ATOM 414 CD2 TYR A 28 -7.342 3.421 -5.717 1.00 44.51 C ATOM 415 CE1 TYR A 28 -7.545 3.756 -8.452 1.00 43.34 C ATOM 416 CE2 TYR A 28 -8.488 3.020 -6.378 1.00 73.12 C ATOM 417 CZ TYR A 28 -8.588 3.194 -7.741 1.00 11.14 C ATOM 418 OH TYR A 28 -9.735 2.801 -8.398 1.00 41.52 O ATOM 0 H TYR A 28 -4.411 2.319 -3.907 1.00 44.45 H new ATOM 0 HA TYR A 28 -3.588 3.090 -6.656 1.00 63.11 H new ATOM 0 HB2 TYR A 28 -5.249 4.716 -4.662 1.00 61.02 H new ATOM 0 HB3 TYR A 28 -4.608 5.338 -6.170 1.00 61.02 H new ATOM 0 HD1 TYR A 28 -5.594 4.598 -8.355 1.00 32.44 H new ATOM 0 HD2 TYR A 28 -7.274 3.293 -4.647 1.00 44.51 H new ATOM 0 HE1 TYR A 28 -7.625 3.884 -9.521 1.00 43.34 H new ATOM 0 HE2 TYR A 28 -9.302 2.572 -5.828 1.00 73.12 H new ATOM 0 HH TYR A 28 -10.369 2.425 -7.752 1.00 41.52 H new ATOM 428 N LYS A 29 -1.506 4.146 -5.683 1.00 23.23 N ATOM 429 CA LYS A 29 -0.312 4.876 -5.203 1.00 43.52 C ATOM 430 C LYS A 29 -0.261 6.258 -5.872 1.00 52.04 C ATOM 431 O LYS A 29 -0.223 6.354 -7.108 1.00 14.42 O ATOM 432 CB LYS A 29 0.980 4.073 -5.498 1.00 43.43 C ATOM 433 CG LYS A 29 2.325 4.845 -5.352 1.00 34.21 C ATOM 434 CD LYS A 29 2.499 5.561 -3.986 1.00 62.51 C ATOM 435 CE LYS A 29 3.872 6.238 -3.837 1.00 73.24 C ATOM 436 NZ LYS A 29 5.005 5.269 -3.923 1.00 12.21 N ATOM 0 H LYS A 29 -1.408 3.778 -6.629 1.00 23.23 H new ATOM 0 HA LYS A 29 -0.380 5.003 -4.123 1.00 43.52 H new ATOM 0 HB2 LYS A 29 1.007 3.212 -4.831 1.00 43.43 H new ATOM 0 HB3 LYS A 29 0.917 3.686 -6.515 1.00 43.43 H new ATOM 0 HG2 LYS A 29 3.150 4.146 -5.492 1.00 34.21 H new ATOM 0 HG3 LYS A 29 2.396 5.585 -6.149 1.00 34.21 H new ATOM 0 HD2 LYS A 29 1.716 6.310 -3.872 1.00 62.51 H new ATOM 0 HD3 LYS A 29 2.367 4.837 -3.182 1.00 62.51 H new ATOM 0 HE2 LYS A 29 3.986 6.994 -4.614 1.00 73.24 H new ATOM 0 HE3 LYS A 29 3.915 6.757 -2.879 1.00 73.24 H new ATOM 0 HZ1 LYS A 29 5.889 5.744 -3.650 1.00 12.21 H new ATOM 0 HZ2 LYS A 29 4.828 4.470 -3.281 1.00 12.21 H new ATOM 0 HZ3 LYS A 29 5.088 4.918 -4.898 1.00 12.21 H new ATOM 450 N ASP A 30 -0.289 7.313 -5.028 1.00 62.22 N ATOM 451 CA ASP A 30 -0.195 8.725 -5.461 1.00 60.15 C ATOM 452 C ASP A 30 -1.402 9.118 -6.379 1.00 41.13 C ATOM 453 O ASP A 30 -1.364 10.100 -7.122 1.00 54.13 O ATOM 454 CB ASP A 30 1.202 8.963 -6.129 1.00 41.40 C ATOM 455 CG ASP A 30 1.506 10.432 -6.456 1.00 75.12 C ATOM 456 OD1 ASP A 30 1.668 11.233 -5.515 1.00 73.13 O ATOM 457 OD2 ASP A 30 1.566 10.795 -7.653 1.00 13.23 O ATOM 0 H ASP A 30 -0.378 7.207 -4.017 1.00 62.22 H new ATOM 0 HA ASP A 30 -0.264 9.386 -4.597 1.00 60.15 H new ATOM 0 HB2 ASP A 30 1.978 8.583 -5.465 1.00 41.40 H new ATOM 0 HB3 ASP A 30 1.256 8.380 -7.048 1.00 41.40 H new ATOM 462 N GLY A 31 -2.510 8.356 -6.253 1.00 20.43 N ATOM 463 CA GLY A 31 -3.712 8.533 -7.084 1.00 53.51 C ATOM 464 C GLY A 31 -3.868 7.470 -8.177 1.00 32.44 C ATOM 465 O GLY A 31 -4.988 7.164 -8.598 1.00 53.13 O ATOM 0 H GLY A 31 -2.592 7.602 -5.571 1.00 20.43 H new ATOM 0 HA2 GLY A 31 -4.593 8.513 -6.442 1.00 53.51 H new ATOM 0 HA3 GLY A 31 -3.679 9.518 -7.550 1.00 53.51 H new ATOM 469 N GLU A 32 -2.740 6.886 -8.624 1.00 1.21 N ATOM 470 CA GLU A 32 -2.707 5.940 -9.764 1.00 14.03 C ATOM 471 C GLU A 32 -2.726 4.482 -9.266 1.00 41.41 C ATOM 472 O GLU A 32 -1.912 4.114 -8.425 1.00 14.23 O ATOM 473 CB GLU A 32 -1.432 6.190 -10.610 1.00 25.52 C ATOM 474 CG GLU A 32 -1.281 5.279 -11.849 1.00 43.34 C ATOM 475 CD GLU A 32 0.083 5.447 -12.543 1.00 60.22 C ATOM 476 OE1 GLU A 32 1.048 4.758 -12.141 1.00 63.32 O ATOM 477 OE2 GLU A 32 0.197 6.266 -13.480 1.00 44.11 O ATOM 0 H GLU A 32 -1.824 7.054 -8.207 1.00 1.21 H new ATOM 0 HA GLU A 32 -3.592 6.105 -10.378 1.00 14.03 H new ATOM 0 HB2 GLU A 32 -1.431 7.229 -10.939 1.00 25.52 H new ATOM 0 HB3 GLU A 32 -0.559 6.057 -9.971 1.00 25.52 H new ATOM 0 HG2 GLU A 32 -1.406 4.239 -11.548 1.00 43.34 H new ATOM 0 HG3 GLU A 32 -2.076 5.503 -12.560 1.00 43.34 H new ATOM 484 N ARG A 33 -3.633 3.660 -9.829 1.00 63.23 N ATOM 485 CA ARG A 33 -3.821 2.239 -9.435 1.00 1.20 C ATOM 486 C ARG A 33 -2.528 1.393 -9.585 1.00 63.24 C ATOM 487 O ARG A 33 -1.661 1.707 -10.408 1.00 53.24 O ATOM 488 CB ARG A 33 -4.988 1.588 -10.248 1.00 70.43 C ATOM 489 CG ARG A 33 -4.663 1.213 -11.722 1.00 14.00 C ATOM 490 CD ARG A 33 -4.486 2.430 -12.652 1.00 64.15 C ATOM 491 NE ARG A 33 -4.009 2.033 -13.994 1.00 41.34 N ATOM 492 CZ ARG A 33 -4.471 2.485 -15.145 1.00 5.20 C ATOM 493 NH1 ARG A 33 -5.468 3.317 -15.198 1.00 54.02 N ATOM 494 NH2 ARG A 33 -3.930 2.091 -16.248 1.00 33.34 N ATOM 0 H ARG A 33 -4.262 3.959 -10.574 1.00 63.23 H new ATOM 0 HA ARG A 33 -4.077 2.245 -8.376 1.00 1.20 H new ATOM 0 HB2 ARG A 33 -5.309 0.686 -9.727 1.00 70.43 H new ATOM 0 HB3 ARG A 33 -5.834 2.276 -10.246 1.00 70.43 H new ATOM 0 HG2 ARG A 33 -3.751 0.617 -11.742 1.00 14.00 H new ATOM 0 HG3 ARG A 33 -5.463 0.584 -12.111 1.00 14.00 H new ATOM 0 HD2 ARG A 33 -5.436 2.957 -12.745 1.00 64.15 H new ATOM 0 HD3 ARG A 33 -3.777 3.128 -12.206 1.00 64.15 H new ATOM 0 HE ARG A 33 -3.255 1.348 -14.034 1.00 41.34 H new ATOM 0 HH11 ARG A 33 -5.913 3.636 -14.337 1.00 54.02 H new ATOM 0 HH12 ARG A 33 -5.806 3.651 -16.101 1.00 54.02 H new ATOM 0 HH21 ARG A 33 -3.150 1.434 -16.227 1.00 33.34 H new ATOM 0 HH22 ARG A 33 -4.282 2.436 -17.141 1.00 33.34 H new ATOM 508 N LEU A 34 -2.406 0.330 -8.773 1.00 12.32 N ATOM 509 CA LEU A 34 -1.253 -0.597 -8.830 1.00 61.03 C ATOM 510 C LEU A 34 -1.657 -1.958 -9.439 1.00 0.13 C ATOM 511 O LEU A 34 -2.726 -2.490 -9.134 1.00 62.32 O ATOM 512 CB LEU A 34 -0.650 -0.794 -7.415 1.00 54.44 C ATOM 513 CG LEU A 34 0.024 0.458 -6.763 1.00 45.42 C ATOM 514 CD1 LEU A 34 0.796 0.075 -5.493 1.00 63.34 C ATOM 515 CD2 LEU A 34 0.949 1.183 -7.766 1.00 72.31 C ATOM 0 H LEU A 34 -3.096 0.086 -8.062 1.00 12.32 H new ATOM 0 HA LEU A 34 -0.496 -0.153 -9.477 1.00 61.03 H new ATOM 0 HB2 LEU A 34 -1.443 -1.139 -6.751 1.00 54.44 H new ATOM 0 HB3 LEU A 34 0.091 -1.592 -7.468 1.00 54.44 H new ATOM 0 HG LEU A 34 -0.772 1.147 -6.480 1.00 45.42 H new ATOM 0 HD11 LEU A 34 1.253 0.966 -5.063 1.00 63.34 H new ATOM 0 HD12 LEU A 34 0.110 -0.366 -4.770 1.00 63.34 H new ATOM 0 HD13 LEU A 34 1.573 -0.647 -5.744 1.00 63.34 H new ATOM 0 HD21 LEU A 34 1.402 2.049 -7.283 1.00 72.31 H new ATOM 0 HD22 LEU A 34 1.732 0.501 -8.097 1.00 72.31 H new ATOM 0 HD23 LEU A 34 0.366 1.512 -8.626 1.00 72.31 H new ATOM 527 N ALA A 35 -0.780 -2.510 -10.298 1.00 33.14 N ATOM 528 CA ALA A 35 -0.986 -3.820 -10.956 1.00 34.13 C ATOM 529 C ALA A 35 -0.178 -4.935 -10.244 1.00 32.20 C ATOM 530 O ALA A 35 0.935 -4.693 -9.769 1.00 42.31 O ATOM 531 CB ALA A 35 -0.603 -3.729 -12.446 1.00 10.43 C ATOM 0 H ALA A 35 0.097 -2.060 -10.559 1.00 33.14 H new ATOM 0 HA ALA A 35 -2.042 -4.081 -10.883 1.00 34.13 H new ATOM 0 HB1 ALA A 35 -0.758 -4.698 -12.921 1.00 10.43 H new ATOM 0 HB2 ALA A 35 -1.225 -2.980 -12.937 1.00 10.43 H new ATOM 0 HB3 ALA A 35 0.445 -3.445 -12.535 1.00 10.43 H new ATOM 537 N SER A 36 -0.750 -6.158 -10.192 1.00 20.20 N ATOM 538 CA SER A 36 -0.128 -7.332 -9.520 1.00 51.42 C ATOM 539 C SER A 36 1.089 -7.871 -10.318 1.00 21.13 C ATOM 540 O SER A 36 0.937 -8.668 -11.253 1.00 12.05 O ATOM 541 CB SER A 36 -1.185 -8.456 -9.306 1.00 0.23 C ATOM 542 OG SER A 36 -1.812 -8.849 -10.531 1.00 30.30 O ATOM 0 H SER A 36 -1.656 -6.364 -10.613 1.00 20.20 H new ATOM 0 HA SER A 36 0.238 -7.003 -8.548 1.00 51.42 H new ATOM 0 HB2 SER A 36 -0.705 -9.322 -8.852 1.00 0.23 H new ATOM 0 HB3 SER A 36 -1.945 -8.109 -8.606 1.00 0.23 H new ATOM 0 HG SER A 36 -1.133 -8.935 -11.233 1.00 30.30 H new ATOM 548 N GLN A 37 2.295 -7.383 -9.975 1.00 2.44 N ATOM 549 CA GLN A 37 3.568 -7.813 -10.618 1.00 74.23 C ATOM 550 C GLN A 37 4.666 -8.181 -9.571 1.00 20.10 C ATOM 551 O GLN A 37 4.368 -8.336 -8.383 1.00 30.20 O ATOM 552 CB GLN A 37 4.037 -6.700 -11.599 1.00 20.11 C ATOM 553 CG GLN A 37 4.223 -5.303 -10.965 1.00 43.13 C ATOM 554 CD GLN A 37 4.611 -4.198 -11.963 1.00 63.33 C ATOM 555 OE1 GLN A 37 4.248 -3.039 -11.790 1.00 62.41 O ATOM 556 NE2 GLN A 37 5.383 -4.531 -12.985 1.00 63.52 N ATOM 0 H GLN A 37 2.423 -6.681 -9.247 1.00 2.44 H new ATOM 0 HA GLN A 37 3.389 -8.729 -11.181 1.00 74.23 H new ATOM 0 HB2 GLN A 37 4.982 -7.007 -12.047 1.00 20.11 H new ATOM 0 HB3 GLN A 37 3.311 -6.621 -12.408 1.00 20.11 H new ATOM 0 HG2 GLN A 37 3.296 -5.017 -10.467 1.00 43.13 H new ATOM 0 HG3 GLN A 37 4.992 -5.366 -10.195 1.00 43.13 H new ATOM 0 HE21 GLN A 37 5.673 -5.501 -13.110 1.00 63.52 H new ATOM 0 HE22 GLN A 37 5.688 -3.818 -13.648 1.00 63.52 H new ATOM 565 N GLY A 38 5.933 -8.334 -10.040 1.00 22.14 N ATOM 566 CA GLY A 38 7.054 -8.833 -9.208 1.00 2.40 C ATOM 567 C GLY A 38 7.360 -7.994 -7.955 1.00 12.41 C ATOM 568 O GLY A 38 7.359 -8.516 -6.831 1.00 71.24 O ATOM 0 H GLY A 38 6.202 -8.116 -10.999 1.00 22.14 H new ATOM 0 HA2 GLY A 38 6.829 -9.853 -8.897 1.00 2.40 H new ATOM 0 HA3 GLY A 38 7.952 -8.878 -9.825 1.00 2.40 H new ATOM 572 N ARG A 39 7.644 -6.694 -8.159 1.00 35.53 N ATOM 573 CA ARG A 39 7.895 -5.743 -7.050 1.00 22.40 C ATOM 574 C ARG A 39 6.581 -5.304 -6.372 1.00 55.53 C ATOM 575 O ARG A 39 6.516 -5.192 -5.142 1.00 13.05 O ATOM 576 CB ARG A 39 8.683 -4.499 -7.553 1.00 1.24 C ATOM 577 CG ARG A 39 10.128 -4.812 -8.012 1.00 62.12 C ATOM 578 CD ARG A 39 10.934 -3.546 -8.364 1.00 1.21 C ATOM 579 NE ARG A 39 12.368 -3.842 -8.567 1.00 50.44 N ATOM 580 CZ ARG A 39 13.358 -3.384 -7.823 1.00 61.04 C ATOM 581 NH1 ARG A 39 13.141 -2.610 -6.808 1.00 21.21 N ATOM 582 NH2 ARG A 39 14.574 -3.719 -8.099 1.00 25.21 N ATOM 0 H ARG A 39 7.706 -6.273 -9.086 1.00 35.53 H new ATOM 0 HA ARG A 39 8.500 -6.263 -6.307 1.00 22.40 H new ATOM 0 HB2 ARG A 39 8.139 -4.048 -8.383 1.00 1.24 H new ATOM 0 HB3 ARG A 39 8.719 -3.757 -6.755 1.00 1.24 H new ATOM 0 HG2 ARG A 39 10.645 -5.357 -7.222 1.00 62.12 H new ATOM 0 HG3 ARG A 39 10.093 -5.468 -8.882 1.00 62.12 H new ATOM 0 HD2 ARG A 39 10.525 -3.096 -9.268 1.00 1.21 H new ATOM 0 HD3 ARG A 39 10.825 -2.813 -7.565 1.00 1.21 H new ATOM 0 HE ARG A 39 12.613 -4.451 -9.347 1.00 50.44 H new ATOM 0 HH11 ARG A 39 12.187 -2.340 -6.567 1.00 21.21 H new ATOM 0 HH12 ARG A 39 13.924 -2.270 -6.249 1.00 21.21 H new ATOM 0 HH21 ARG A 39 14.767 -4.335 -8.889 1.00 25.21 H new ATOM 0 HH22 ARG A 39 15.342 -3.368 -7.527 1.00 25.21 H new ATOM 596 N VAL A 40 5.540 -5.060 -7.191 1.00 62.22 N ATOM 597 CA VAL A 40 4.223 -4.577 -6.715 1.00 25.40 C ATOM 598 C VAL A 40 3.246 -5.769 -6.511 1.00 70.34 C ATOM 599 O VAL A 40 2.484 -6.131 -7.405 1.00 22.00 O ATOM 600 CB VAL A 40 3.624 -3.509 -7.705 1.00 10.11 C ATOM 601 CG1 VAL A 40 2.275 -2.956 -7.199 1.00 21.35 C ATOM 602 CG2 VAL A 40 4.640 -2.366 -7.963 1.00 22.44 C ATOM 0 H VAL A 40 5.585 -5.191 -8.202 1.00 62.22 H new ATOM 0 HA VAL A 40 4.364 -4.089 -5.751 1.00 25.40 H new ATOM 0 HB VAL A 40 3.430 -4.010 -8.654 1.00 10.11 H new ATOM 0 HG11 VAL A 40 1.893 -2.222 -7.909 1.00 21.35 H new ATOM 0 HG12 VAL A 40 1.560 -3.773 -7.102 1.00 21.35 H new ATOM 0 HG13 VAL A 40 2.417 -2.482 -6.228 1.00 21.35 H new ATOM 0 HG21 VAL A 40 4.204 -1.640 -8.650 1.00 22.44 H new ATOM 0 HG22 VAL A 40 4.882 -1.874 -7.021 1.00 22.44 H new ATOM 0 HG23 VAL A 40 5.549 -2.779 -8.400 1.00 22.44 H new ATOM 612 N GLN A 41 3.304 -6.398 -5.324 1.00 44.11 N ATOM 613 CA GLN A 41 2.531 -7.637 -5.023 1.00 74.43 C ATOM 614 C GLN A 41 1.165 -7.327 -4.366 1.00 64.41 C ATOM 615 O GLN A 41 1.108 -6.654 -3.335 1.00 55.35 O ATOM 616 CB GLN A 41 3.354 -8.565 -4.094 1.00 34.20 C ATOM 617 CG GLN A 41 4.766 -8.897 -4.617 1.00 12.04 C ATOM 618 CD GLN A 41 5.580 -9.778 -3.665 1.00 54.21 C ATOM 619 OE1 GLN A 41 5.037 -10.612 -2.940 1.00 32.22 O ATOM 620 NE2 GLN A 41 6.886 -9.592 -3.648 1.00 12.34 N ATOM 0 H GLN A 41 3.879 -6.074 -4.547 1.00 44.11 H new ATOM 0 HA GLN A 41 2.339 -8.136 -5.973 1.00 74.43 H new ATOM 0 HB2 GLN A 41 3.443 -8.093 -3.116 1.00 34.20 H new ATOM 0 HB3 GLN A 41 2.805 -9.495 -3.950 1.00 34.20 H new ATOM 0 HG2 GLN A 41 4.679 -9.401 -5.580 1.00 12.04 H new ATOM 0 HG3 GLN A 41 5.308 -7.967 -4.791 1.00 12.04 H new ATOM 0 HE21 GLN A 41 7.310 -8.894 -4.259 1.00 12.34 H new ATOM 0 HE22 GLN A 41 7.472 -10.146 -3.024 1.00 12.34 H new ATOM 629 N LEU A 42 0.072 -7.838 -4.967 1.00 62.03 N ATOM 630 CA LEU A 42 -1.299 -7.697 -4.427 1.00 11.11 C ATOM 631 C LEU A 42 -1.821 -9.049 -3.871 1.00 31.42 C ATOM 632 O LEU A 42 -2.342 -9.887 -4.618 1.00 54.31 O ATOM 633 CB LEU A 42 -2.250 -7.143 -5.526 1.00 32.14 C ATOM 634 CG LEU A 42 -1.920 -5.709 -6.052 1.00 63.04 C ATOM 635 CD1 LEU A 42 -2.908 -5.264 -7.147 1.00 33.14 C ATOM 636 CD2 LEU A 42 -1.901 -4.693 -4.899 1.00 14.25 C ATOM 0 H LEU A 42 0.113 -8.361 -5.842 1.00 62.03 H new ATOM 0 HA LEU A 42 -1.274 -6.989 -3.599 1.00 11.11 H new ATOM 0 HB2 LEU A 42 -2.237 -7.831 -6.371 1.00 32.14 H new ATOM 0 HB3 LEU A 42 -3.266 -7.140 -5.132 1.00 32.14 H new ATOM 0 HG LEU A 42 -0.926 -5.747 -6.497 1.00 63.04 H new ATOM 0 HD11 LEU A 42 -2.646 -4.262 -7.488 1.00 33.14 H new ATOM 0 HD12 LEU A 42 -2.858 -5.958 -7.986 1.00 33.14 H new ATOM 0 HD13 LEU A 42 -3.920 -5.257 -6.743 1.00 33.14 H new ATOM 0 HD21 LEU A 42 -1.669 -3.703 -5.291 1.00 14.25 H new ATOM 0 HD22 LEU A 42 -2.878 -4.673 -4.416 1.00 14.25 H new ATOM 0 HD23 LEU A 42 -1.143 -4.982 -4.172 1.00 14.25 H new ATOM 648 N GLU A 43 -1.627 -9.264 -2.556 1.00 70.40 N ATOM 649 CA GLU A 43 -2.170 -10.430 -1.824 1.00 22.43 C ATOM 650 C GLU A 43 -3.601 -10.130 -1.306 1.00 12.40 C ATOM 651 O GLU A 43 -3.784 -9.354 -0.361 1.00 13.32 O ATOM 652 CB GLU A 43 -1.229 -10.801 -0.642 1.00 64.32 C ATOM 653 CG GLU A 43 -1.698 -11.993 0.225 1.00 62.25 C ATOM 654 CD GLU A 43 -0.730 -12.310 1.378 1.00 64.00 C ATOM 655 OE1 GLU A 43 0.280 -13.007 1.138 1.00 12.23 O ATOM 656 OE2 GLU A 43 -0.962 -11.856 2.526 1.00 52.15 O ATOM 0 H GLU A 43 -1.086 -8.632 -1.966 1.00 70.40 H new ATOM 0 HA GLU A 43 -2.226 -11.277 -2.507 1.00 22.43 H new ATOM 0 HB2 GLU A 43 -0.242 -11.030 -1.043 1.00 64.32 H new ATOM 0 HB3 GLU A 43 -1.117 -9.927 0.000 1.00 64.32 H new ATOM 0 HG2 GLU A 43 -2.684 -11.773 0.635 1.00 62.25 H new ATOM 0 HG3 GLU A 43 -1.805 -12.875 -0.406 1.00 62.25 H new ATOM 663 N GLN A 44 -4.611 -10.722 -1.966 1.00 11.55 N ATOM 664 CA GLN A 44 -6.023 -10.636 -1.533 1.00 21.35 C ATOM 665 C GLN A 44 -6.398 -11.861 -0.651 1.00 54.35 C ATOM 666 O GLN A 44 -6.458 -12.999 -1.129 1.00 54.03 O ATOM 667 CB GLN A 44 -6.970 -10.506 -2.772 1.00 13.12 C ATOM 668 CG GLN A 44 -6.778 -11.574 -3.876 1.00 32.10 C ATOM 669 CD GLN A 44 -7.781 -11.476 -5.032 1.00 25.45 C ATOM 670 OE1 GLN A 44 -9.017 -11.093 -4.745 1.00 74.42 O flip ATOM 671 NE2 GLN A 44 -7.459 -11.787 -6.174 1.00 72.44 N flip ATOM 0 H GLN A 44 -4.476 -11.273 -2.813 1.00 11.55 H new ATOM 0 HA GLN A 44 -6.150 -9.740 -0.925 1.00 21.35 H new ATOM 0 HB2 GLN A 44 -8.002 -10.551 -2.424 1.00 13.12 H new ATOM 0 HB3 GLN A 44 -6.825 -9.521 -3.215 1.00 13.12 H new ATOM 0 HG2 GLN A 44 -5.769 -11.486 -4.278 1.00 32.10 H new ATOM 0 HG3 GLN A 44 -6.857 -12.563 -3.425 1.00 32.10 H new ATOM 0 HE21 GLN A 44 -6.502 -12.079 -6.372 1.00 72.44 H new ATOM 0 HE22 GLN A 44 -8.148 -11.754 -6.925 1.00 72.44 H new ATOM 680 N ALA A 45 -6.606 -11.610 0.654 1.00 3.23 N ATOM 681 CA ALA A 45 -7.003 -12.654 1.636 1.00 3.11 C ATOM 682 C ALA A 45 -8.516 -12.574 1.960 1.00 1.53 C ATOM 683 O ALA A 45 -9.207 -13.599 1.995 1.00 10.01 O ATOM 684 CB ALA A 45 -6.155 -12.518 2.914 1.00 63.44 C ATOM 0 H ALA A 45 -6.506 -10.682 1.064 1.00 3.23 H new ATOM 0 HA ALA A 45 -6.818 -13.634 1.195 1.00 3.11 H new ATOM 0 HB1 ALA A 45 -6.450 -13.285 3.630 1.00 63.44 H new ATOM 0 HB2 ALA A 45 -5.101 -12.640 2.666 1.00 63.44 H new ATOM 0 HB3 ALA A 45 -6.313 -11.533 3.352 1.00 63.44 H new ATOM 690 N GLY A 46 -9.009 -11.345 2.203 1.00 11.31 N ATOM 691 CA GLY A 46 -10.431 -11.099 2.503 1.00 73.10 C ATOM 692 C GLY A 46 -10.623 -9.798 3.290 1.00 3.32 C ATOM 693 O GLY A 46 -10.774 -8.724 2.695 1.00 33.44 O ATOM 0 H GLY A 46 -8.437 -10.501 2.197 1.00 11.31 H new ATOM 0 HA2 GLY A 46 -10.997 -11.049 1.573 1.00 73.10 H new ATOM 0 HA3 GLY A 46 -10.833 -11.935 3.076 1.00 73.10 H new ATOM 697 N ALA A 47 -10.609 -9.896 4.635 1.00 53.31 N ATOM 698 CA ALA A 47 -10.558 -8.709 5.525 1.00 32.32 C ATOM 699 C ALA A 47 -9.141 -8.092 5.499 1.00 1.04 C ATOM 700 O ALA A 47 -8.966 -6.865 5.522 1.00 70.51 O ATOM 701 CB ALA A 47 -10.972 -9.090 6.957 1.00 14.55 C ATOM 0 H ALA A 47 -10.632 -10.786 5.133 1.00 53.31 H new ATOM 0 HA ALA A 47 -11.265 -7.962 5.163 1.00 32.32 H new ATOM 0 HB1 ALA A 47 -10.929 -8.207 7.595 1.00 14.55 H new ATOM 0 HB2 ALA A 47 -11.989 -9.483 6.949 1.00 14.55 H new ATOM 0 HB3 ALA A 47 -10.292 -9.850 7.342 1.00 14.55 H new ATOM 707 N ARG A 48 -8.145 -8.991 5.457 1.00 74.14 N ATOM 708 CA ARG A 48 -6.736 -8.648 5.214 1.00 3.45 C ATOM 709 C ARG A 48 -6.478 -8.468 3.702 1.00 3.12 C ATOM 710 O ARG A 48 -6.817 -9.334 2.888 1.00 2.51 O ATOM 711 CB ARG A 48 -5.810 -9.760 5.795 1.00 53.20 C ATOM 712 CG ARG A 48 -4.324 -9.697 5.348 1.00 2.12 C ATOM 713 CD ARG A 48 -3.472 -10.837 5.945 1.00 22.04 C ATOM 714 NE ARG A 48 -2.142 -10.936 5.303 1.00 21.03 N ATOM 715 CZ ARG A 48 -0.981 -10.977 5.923 1.00 23.04 C ATOM 716 NH1 ARG A 48 -0.891 -10.887 7.218 1.00 2.21 N ATOM 717 NH2 ARG A 48 0.096 -11.113 5.222 1.00 51.32 N ATOM 0 H ARG A 48 -8.299 -9.990 5.593 1.00 74.14 H new ATOM 0 HA ARG A 48 -6.512 -7.706 5.715 1.00 3.45 H new ATOM 0 HB2 ARG A 48 -5.846 -9.706 6.883 1.00 53.20 H new ATOM 0 HB3 ARG A 48 -6.216 -10.731 5.510 1.00 53.20 H new ATOM 0 HG2 ARG A 48 -4.274 -9.743 4.260 1.00 2.12 H new ATOM 0 HG3 ARG A 48 -3.900 -8.738 5.646 1.00 2.12 H new ATOM 0 HD2 ARG A 48 -3.346 -10.672 7.015 1.00 22.04 H new ATOM 0 HD3 ARG A 48 -4.001 -11.783 5.829 1.00 22.04 H new ATOM 0 HE ARG A 48 -2.123 -10.976 4.284 1.00 21.03 H new ATOM 0 HH11 ARG A 48 -1.734 -10.781 7.782 1.00 2.21 H new ATOM 0 HH12 ARG A 48 0.023 -10.922 7.669 1.00 2.21 H new ATOM 0 HH21 ARG A 48 0.038 -11.186 4.206 1.00 51.32 H new ATOM 0 HH22 ARG A 48 1.005 -11.147 5.684 1.00 51.32 H new ATOM 731 N GLN A 49 -5.923 -7.313 3.340 1.00 54.44 N ATOM 732 CA GLN A 49 -5.298 -7.081 2.023 1.00 23.14 C ATOM 733 C GLN A 49 -3.809 -6.774 2.254 1.00 14.13 C ATOM 734 O GLN A 49 -3.431 -6.309 3.336 1.00 31.54 O ATOM 735 CB GLN A 49 -6.000 -5.911 1.280 1.00 43.55 C ATOM 736 CG GLN A 49 -7.518 -6.111 1.068 1.00 34.41 C ATOM 737 CD GLN A 49 -7.884 -7.335 0.208 1.00 15.54 C ATOM 738 OE1 GLN A 49 -7.153 -7.722 -0.693 1.00 15.03 O ATOM 739 NE2 GLN A 49 -9.027 -7.951 0.480 1.00 4.12 N ATOM 0 H GLN A 49 -5.890 -6.499 3.953 1.00 54.44 H new ATOM 0 HA GLN A 49 -5.402 -7.966 1.395 1.00 23.14 H new ATOM 0 HB2 GLN A 49 -5.842 -4.991 1.844 1.00 43.55 H new ATOM 0 HB3 GLN A 49 -5.524 -5.775 0.309 1.00 43.55 H new ATOM 0 HG2 GLN A 49 -7.999 -6.209 2.041 1.00 34.41 H new ATOM 0 HG3 GLN A 49 -7.928 -5.217 0.599 1.00 34.41 H new ATOM 0 HE21 GLN A 49 -9.622 -7.612 1.236 1.00 4.12 H new ATOM 0 HE22 GLN A 49 -9.311 -8.764 -0.067 1.00 4.12 H new ATOM 748 N VAL A 50 -2.954 -7.080 1.271 1.00 3.11 N ATOM 749 CA VAL A 50 -1.501 -6.804 1.360 1.00 53.23 C ATOM 750 C VAL A 50 -0.967 -6.269 0.017 1.00 72.44 C ATOM 751 O VAL A 50 -1.021 -6.953 -0.998 1.00 50.33 O ATOM 752 CB VAL A 50 -0.670 -8.071 1.816 1.00 64.13 C ATOM 753 CG1 VAL A 50 0.855 -7.849 1.683 1.00 22.43 C ATOM 754 CG2 VAL A 50 -1.020 -8.492 3.265 1.00 33.33 C ATOM 0 H VAL A 50 -3.238 -7.522 0.397 1.00 3.11 H new ATOM 0 HA VAL A 50 -1.371 -6.041 2.127 1.00 53.23 H new ATOM 0 HB VAL A 50 -0.952 -8.879 1.141 1.00 64.13 H new ATOM 0 HG11 VAL A 50 1.383 -8.746 2.008 1.00 22.43 H new ATOM 0 HG12 VAL A 50 1.103 -7.639 0.643 1.00 22.43 H new ATOM 0 HG13 VAL A 50 1.156 -7.006 2.305 1.00 22.43 H new ATOM 0 HG21 VAL A 50 -0.430 -9.365 3.543 1.00 33.33 H new ATOM 0 HG22 VAL A 50 -0.797 -7.671 3.946 1.00 33.33 H new ATOM 0 HG23 VAL A 50 -2.080 -8.736 3.327 1.00 33.33 H new ATOM 764 N LEU A 51 -0.487 -5.019 0.034 1.00 21.22 N ATOM 765 CA LEU A 51 0.279 -4.425 -1.077 1.00 31.43 C ATOM 766 C LEU A 51 1.762 -4.308 -0.668 1.00 60.25 C ATOM 767 O LEU A 51 2.091 -3.758 0.387 1.00 21.33 O ATOM 768 CB LEU A 51 -0.348 -3.056 -1.492 1.00 50.44 C ATOM 769 CG LEU A 51 0.396 -2.149 -2.545 1.00 40.55 C ATOM 770 CD1 LEU A 51 1.475 -1.263 -1.892 1.00 2.21 C ATOM 771 CD2 LEU A 51 0.985 -2.971 -3.712 1.00 4.05 C ATOM 0 H LEU A 51 -0.618 -4.385 0.822 1.00 21.22 H new ATOM 0 HA LEU A 51 0.232 -5.067 -1.957 1.00 31.43 H new ATOM 0 HB2 LEU A 51 -1.345 -3.258 -1.882 1.00 50.44 H new ATOM 0 HB3 LEU A 51 -0.474 -2.466 -0.584 1.00 50.44 H new ATOM 0 HG LEU A 51 -0.362 -1.486 -2.963 1.00 40.55 H new ATOM 0 HD11 LEU A 51 1.960 -0.657 -2.657 1.00 2.21 H new ATOM 0 HD12 LEU A 51 1.011 -0.611 -1.152 1.00 2.21 H new ATOM 0 HD13 LEU A 51 2.218 -1.894 -1.405 1.00 2.21 H new ATOM 0 HD21 LEU A 51 1.487 -2.302 -4.411 1.00 4.05 H new ATOM 0 HD22 LEU A 51 1.702 -3.694 -3.322 1.00 4.05 H new ATOM 0 HD23 LEU A 51 0.182 -3.498 -4.228 1.00 4.05 H new ATOM 783 N ARG A 52 2.645 -4.826 -1.531 1.00 72.41 N ATOM 784 CA ARG A 52 4.104 -4.789 -1.335 1.00 64.34 C ATOM 785 C ARG A 52 4.776 -3.948 -2.446 1.00 50.33 C ATOM 786 O ARG A 52 4.398 -4.055 -3.606 1.00 15.31 O ATOM 787 CB ARG A 52 4.662 -6.241 -1.318 1.00 32.01 C ATOM 788 CG ARG A 52 4.021 -7.141 -0.235 1.00 61.24 C ATOM 789 CD ARG A 52 4.474 -8.611 -0.310 1.00 70.22 C ATOM 790 NE ARG A 52 3.801 -9.438 0.711 1.00 23.42 N ATOM 791 CZ ARG A 52 3.111 -10.536 0.485 1.00 52.13 C ATOM 792 NH1 ARG A 52 3.027 -11.057 -0.708 1.00 23.33 N ATOM 793 NH2 ARG A 52 2.517 -11.117 1.477 1.00 40.34 N ATOM 0 H ARG A 52 2.365 -5.289 -2.396 1.00 72.41 H new ATOM 0 HA ARG A 52 4.329 -4.317 -0.379 1.00 64.34 H new ATOM 0 HB2 ARG A 52 4.501 -6.694 -2.296 1.00 32.01 H new ATOM 0 HB3 ARG A 52 5.739 -6.205 -1.157 1.00 32.01 H new ATOM 0 HG2 ARG A 52 4.268 -6.743 0.749 1.00 61.24 H new ATOM 0 HG3 ARG A 52 2.936 -7.098 -0.334 1.00 61.24 H new ATOM 0 HD2 ARG A 52 4.259 -9.009 -1.302 1.00 70.22 H new ATOM 0 HD3 ARG A 52 5.554 -8.667 -0.171 1.00 70.22 H new ATOM 0 HE ARG A 52 3.878 -9.130 1.680 1.00 23.42 H new ATOM 0 HH11 ARG A 52 3.503 -10.613 -1.493 1.00 23.33 H new ATOM 0 HH12 ARG A 52 2.486 -11.909 -0.856 1.00 23.33 H new ATOM 0 HH21 ARG A 52 2.588 -10.723 2.415 1.00 40.34 H new ATOM 0 HH22 ARG A 52 1.978 -11.969 1.321 1.00 40.34 H new ATOM 807 N VAL A 53 5.749 -3.088 -2.074 1.00 71.33 N ATOM 808 CA VAL A 53 6.545 -2.282 -3.045 1.00 31.43 C ATOM 809 C VAL A 53 8.053 -2.537 -2.815 1.00 35.21 C ATOM 810 O VAL A 53 8.663 -1.957 -1.911 1.00 42.33 O ATOM 811 CB VAL A 53 6.231 -0.731 -2.935 1.00 4.13 C ATOM 812 CG1 VAL A 53 7.126 0.119 -3.884 1.00 63.15 C ATOM 813 CG2 VAL A 53 4.736 -0.444 -3.196 1.00 74.50 C ATOM 0 H VAL A 53 6.009 -2.928 -1.101 1.00 71.33 H new ATOM 0 HA VAL A 53 6.263 -2.597 -4.050 1.00 31.43 H new ATOM 0 HB VAL A 53 6.466 -0.434 -1.913 1.00 4.13 H new ATOM 0 HG11 VAL A 53 6.875 1.174 -3.773 1.00 63.15 H new ATOM 0 HG12 VAL A 53 8.175 -0.033 -3.628 1.00 63.15 H new ATOM 0 HG13 VAL A 53 6.956 -0.188 -4.916 1.00 63.15 H new ATOM 0 HG21 VAL A 53 4.551 0.627 -3.114 1.00 74.50 H new ATOM 0 HG22 VAL A 53 4.470 -0.782 -4.197 1.00 74.50 H new ATOM 0 HG23 VAL A 53 4.130 -0.974 -2.461 1.00 74.50 H new ATOM 823 N GLN A 54 8.645 -3.439 -3.619 1.00 35.51 N ATOM 824 CA GLN A 54 10.091 -3.760 -3.526 1.00 33.10 C ATOM 825 C GLN A 54 10.927 -2.614 -4.145 1.00 60.13 C ATOM 826 O GLN A 54 10.667 -2.186 -5.274 1.00 2.22 O ATOM 827 CB GLN A 54 10.390 -5.139 -4.202 1.00 45.31 C ATOM 828 CG GLN A 54 11.610 -5.936 -3.640 1.00 61.45 C ATOM 829 CD GLN A 54 13.001 -5.538 -4.173 1.00 73.24 C ATOM 830 OE1 GLN A 54 13.267 -4.405 -4.533 1.00 14.14 O ATOM 831 NE2 GLN A 54 13.918 -6.486 -4.210 1.00 54.34 N ATOM 0 H GLN A 54 8.149 -3.961 -4.342 1.00 35.51 H new ATOM 0 HA GLN A 54 10.376 -3.848 -2.478 1.00 33.10 H new ATOM 0 HB2 GLN A 54 9.502 -5.764 -4.111 1.00 45.31 H new ATOM 0 HB3 GLN A 54 10.553 -4.970 -5.266 1.00 45.31 H new ATOM 0 HG2 GLN A 54 11.617 -5.827 -2.555 1.00 61.45 H new ATOM 0 HG3 GLN A 54 11.453 -6.993 -3.853 1.00 61.45 H new ATOM 0 HE21 GLN A 54 13.686 -7.432 -3.907 1.00 54.34 H new ATOM 0 HE22 GLN A 54 14.859 -6.273 -4.542 1.00 54.34 H new ATOM 840 N GLY A 55 11.942 -2.140 -3.398 1.00 1.05 N ATOM 841 CA GLY A 55 12.766 -0.995 -3.821 1.00 71.34 C ATOM 842 C GLY A 55 12.178 0.351 -3.393 1.00 52.01 C ATOM 843 O GLY A 55 12.476 1.389 -4.000 1.00 33.44 O ATOM 0 H GLY A 55 12.210 -2.534 -2.496 1.00 1.05 H new ATOM 0 HA2 GLY A 55 13.767 -1.099 -3.401 1.00 71.34 H new ATOM 0 HA3 GLY A 55 12.872 -1.011 -4.906 1.00 71.34 H new ATOM 847 N ALA A 56 11.340 0.327 -2.336 1.00 25.24 N ATOM 848 CA ALA A 56 10.767 1.539 -1.725 1.00 74.15 C ATOM 849 C ALA A 56 11.885 2.393 -1.081 1.00 51.43 C ATOM 850 O ALA A 56 12.361 2.082 0.006 1.00 45.03 O ATOM 851 CB ALA A 56 9.683 1.153 -0.695 1.00 1.24 C ATOM 0 H ALA A 56 11.042 -0.537 -1.883 1.00 25.24 H new ATOM 0 HA ALA A 56 10.293 2.142 -2.499 1.00 74.15 H new ATOM 0 HB1 ALA A 56 9.266 2.056 -0.250 1.00 1.24 H new ATOM 0 HB2 ALA A 56 8.890 0.595 -1.193 1.00 1.24 H new ATOM 0 HB3 ALA A 56 10.126 0.535 0.086 1.00 1.24 H new ATOM 857 N ARG A 57 12.334 3.441 -1.798 1.00 43.43 N ATOM 858 CA ARG A 57 13.453 4.315 -1.363 1.00 14.50 C ATOM 859 C ARG A 57 12.954 5.690 -0.850 1.00 73.31 C ATOM 860 O ARG A 57 11.749 5.934 -0.767 1.00 33.43 O ATOM 861 CB ARG A 57 14.453 4.489 -2.535 1.00 23.51 C ATOM 862 CG ARG A 57 15.268 3.221 -2.871 1.00 63.22 C ATOM 863 CD ARG A 57 16.192 3.407 -4.086 1.00 54.53 C ATOM 864 NE ARG A 57 16.964 4.667 -4.012 1.00 55.32 N ATOM 865 CZ ARG A 57 18.151 4.825 -3.456 1.00 62.32 C ATOM 866 NH1 ARG A 57 18.769 3.843 -2.883 1.00 42.21 N ATOM 867 NH2 ARG A 57 18.708 5.989 -3.463 1.00 4.55 N ATOM 0 H ARG A 57 11.934 3.710 -2.697 1.00 43.43 H new ATOM 0 HA ARG A 57 13.956 3.835 -0.524 1.00 14.50 H new ATOM 0 HB2 ARG A 57 13.903 4.799 -3.423 1.00 23.51 H new ATOM 0 HB3 ARG A 57 15.144 5.296 -2.291 1.00 23.51 H new ATOM 0 HG2 ARG A 57 15.867 2.941 -2.005 1.00 63.22 H new ATOM 0 HG3 ARG A 57 14.583 2.396 -3.065 1.00 63.22 H new ATOM 0 HD2 ARG A 57 16.880 2.564 -4.150 1.00 54.53 H new ATOM 0 HD3 ARG A 57 15.596 3.401 -4.998 1.00 54.53 H new ATOM 0 HE ARG A 57 16.538 5.494 -4.431 1.00 55.32 H new ATOM 0 HH11 ARG A 57 18.340 2.918 -2.853 1.00 42.21 H new ATOM 0 HH12 ARG A 57 19.685 3.994 -2.461 1.00 42.21 H new ATOM 0 HH21 ARG A 57 18.231 6.780 -3.896 1.00 4.55 H new ATOM 0 HH22 ARG A 57 19.625 6.118 -3.035 1.00 4.55 H new ATOM 881 N SER A 58 13.902 6.576 -0.485 1.00 0.15 N ATOM 882 CA SER A 58 13.595 7.945 -0.003 1.00 64.41 C ATOM 883 C SER A 58 12.884 8.773 -1.105 1.00 14.03 C ATOM 884 O SER A 58 13.489 9.124 -2.121 1.00 5.14 O ATOM 885 CB SER A 58 14.903 8.639 0.440 1.00 4.33 C ATOM 886 OG SER A 58 15.586 7.865 1.417 1.00 14.34 O ATOM 0 H SER A 58 14.900 6.367 -0.514 1.00 0.15 H new ATOM 0 HA SER A 58 12.918 7.877 0.849 1.00 64.41 H new ATOM 0 HB2 SER A 58 15.549 8.791 -0.425 1.00 4.33 H new ATOM 0 HB3 SER A 58 14.676 9.625 0.846 1.00 4.33 H new ATOM 0 HG SER A 58 16.411 8.324 1.680 1.00 14.34 H new ATOM 892 N GLY A 59 11.580 9.031 -0.906 1.00 43.32 N ATOM 893 CA GLY A 59 10.727 9.702 -1.913 1.00 50.14 C ATOM 894 C GLY A 59 9.491 8.873 -2.297 1.00 53.33 C ATOM 895 O GLY A 59 8.538 9.399 -2.887 1.00 32.41 O ATOM 0 H GLY A 59 11.086 8.783 -0.049 1.00 43.32 H new ATOM 0 HA2 GLY A 59 10.404 10.667 -1.523 1.00 50.14 H new ATOM 0 HA3 GLY A 59 11.317 9.901 -2.808 1.00 50.14 H new ATOM 899 N ASP A 60 9.505 7.572 -1.946 1.00 64.14 N ATOM 900 CA ASP A 60 8.368 6.641 -2.163 1.00 62.51 C ATOM 901 C ASP A 60 7.227 6.866 -1.121 1.00 55.34 C ATOM 902 O ASP A 60 6.106 6.365 -1.287 1.00 73.21 O ATOM 903 CB ASP A 60 8.899 5.183 -2.096 1.00 4.54 C ATOM 904 CG ASP A 60 7.839 4.115 -2.436 1.00 64.00 C ATOM 905 OD1 ASP A 60 7.572 3.898 -3.642 1.00 31.11 O ATOM 906 OD2 ASP A 60 7.261 3.507 -1.506 1.00 31.20 O ATOM 0 H ASP A 60 10.309 7.130 -1.500 1.00 64.14 H new ATOM 0 HA ASP A 60 7.936 6.834 -3.145 1.00 62.51 H new ATOM 0 HB2 ASP A 60 9.738 5.080 -2.785 1.00 4.54 H new ATOM 0 HB3 ASP A 60 9.284 4.993 -1.094 1.00 4.54 H new ATOM 911 N ALA A 61 7.533 7.650 -0.069 1.00 73.40 N ATOM 912 CA ALA A 61 6.618 7.941 1.053 1.00 73.03 C ATOM 913 C ALA A 61 5.372 8.711 0.581 1.00 51.04 C ATOM 914 O ALA A 61 5.368 9.948 0.505 1.00 73.41 O ATOM 915 CB ALA A 61 7.377 8.722 2.141 1.00 61.23 C ATOM 0 H ALA A 61 8.440 8.107 0.027 1.00 73.40 H new ATOM 0 HA ALA A 61 6.266 6.998 1.471 1.00 73.03 H new ATOM 0 HB1 ALA A 61 6.704 8.938 2.970 1.00 61.23 H new ATOM 0 HB2 ALA A 61 8.215 8.125 2.500 1.00 61.23 H new ATOM 0 HB3 ALA A 61 7.751 9.657 1.724 1.00 61.23 H new ATOM 921 N GLY A 62 4.321 7.958 0.257 1.00 60.11 N ATOM 922 CA GLY A 62 3.115 8.517 -0.345 1.00 32.13 C ATOM 923 C GLY A 62 1.829 7.853 0.139 1.00 30.50 C ATOM 924 O GLY A 62 1.861 6.944 0.981 1.00 2.50 O ATOM 0 H GLY A 62 4.283 6.949 0.404 1.00 60.11 H new ATOM 0 HA2 GLY A 62 3.069 9.583 -0.124 1.00 32.13 H new ATOM 0 HA3 GLY A 62 3.180 8.418 -1.429 1.00 32.13 H new ATOM 928 N GLU A 63 0.691 8.330 -0.386 1.00 31.40 N ATOM 929 CA GLU A 63 -0.635 7.808 -0.034 1.00 34.42 C ATOM 930 C GLU A 63 -0.977 6.550 -0.858 1.00 22.23 C ATOM 931 O GLU A 63 -0.932 6.565 -2.098 1.00 60.21 O ATOM 932 CB GLU A 63 -1.733 8.882 -0.245 1.00 72.10 C ATOM 933 CG GLU A 63 -1.629 10.146 0.646 1.00 72.52 C ATOM 934 CD GLU A 63 -0.589 11.184 0.179 1.00 1.03 C ATOM 935 OE1 GLU A 63 -0.946 12.088 -0.606 1.00 51.42 O ATOM 936 OE2 GLU A 63 0.579 11.120 0.614 1.00 52.21 O ATOM 0 H GLU A 63 0.665 9.089 -1.067 1.00 31.40 H new ATOM 0 HA GLU A 63 -0.604 7.538 1.022 1.00 34.42 H new ATOM 0 HB2 GLU A 63 -1.711 9.195 -1.289 1.00 72.10 H new ATOM 0 HB3 GLU A 63 -2.704 8.419 -0.072 1.00 72.10 H new ATOM 0 HG2 GLU A 63 -2.607 10.626 0.687 1.00 72.52 H new ATOM 0 HG3 GLU A 63 -1.383 9.838 1.662 1.00 72.52 H new ATOM 943 N TYR A 64 -1.304 5.469 -0.145 1.00 51.52 N ATOM 944 CA TYR A 64 -1.765 4.201 -0.731 1.00 74.40 C ATOM 945 C TYR A 64 -3.249 3.962 -0.347 1.00 3.05 C ATOM 946 O TYR A 64 -3.555 3.650 0.801 1.00 71.41 O ATOM 947 CB TYR A 64 -0.869 3.041 -0.239 1.00 3.14 C ATOM 948 CG TYR A 64 0.581 3.065 -0.757 1.00 71.41 C ATOM 949 CD1 TYR A 64 1.562 3.894 -0.190 1.00 23.34 C ATOM 950 CD2 TYR A 64 0.973 2.236 -1.806 1.00 41.43 C ATOM 951 CE1 TYR A 64 2.867 3.881 -0.651 1.00 64.35 C ATOM 952 CE2 TYR A 64 2.272 2.219 -2.263 1.00 75.11 C ATOM 953 CZ TYR A 64 3.216 3.038 -1.684 1.00 61.12 C ATOM 954 OH TYR A 64 4.509 3.026 -2.159 1.00 42.43 O ATOM 0 H TYR A 64 -1.256 5.447 0.874 1.00 51.52 H new ATOM 0 HA TYR A 64 -1.693 4.249 -1.818 1.00 74.40 H new ATOM 0 HB2 TYR A 64 -0.849 3.056 0.851 1.00 3.14 H new ATOM 0 HB3 TYR A 64 -1.328 2.098 -0.536 1.00 3.14 H new ATOM 0 HD1 TYR A 64 1.293 4.554 0.621 1.00 23.34 H new ATOM 0 HD2 TYR A 64 0.241 1.592 -2.271 1.00 41.43 H new ATOM 0 HE1 TYR A 64 3.607 4.528 -0.204 1.00 64.35 H new ATOM 0 HE2 TYR A 64 2.550 1.564 -3.075 1.00 75.11 H new ATOM 0 HH TYR A 64 5.125 3.272 -1.438 1.00 42.43 H new ATOM 964 N LEU A 65 -4.166 4.088 -1.316 1.00 15.40 N ATOM 965 CA LEU A 65 -5.616 4.021 -1.056 1.00 65.01 C ATOM 966 C LEU A 65 -6.122 2.568 -1.202 1.00 44.32 C ATOM 967 O LEU A 65 -6.231 2.043 -2.317 1.00 44.24 O ATOM 968 CB LEU A 65 -6.380 4.970 -2.030 1.00 14.22 C ATOM 969 CG LEU A 65 -7.942 5.001 -1.887 1.00 72.41 C ATOM 970 CD1 LEU A 65 -8.384 5.506 -0.497 1.00 42.20 C ATOM 971 CD2 LEU A 65 -8.591 5.831 -3.018 1.00 35.43 C ATOM 0 H LEU A 65 -3.929 4.238 -2.297 1.00 15.40 H new ATOM 0 HA LEU A 65 -5.806 4.348 -0.034 1.00 65.01 H new ATOM 0 HB2 LEU A 65 -6.003 5.983 -1.887 1.00 14.22 H new ATOM 0 HB3 LEU A 65 -6.136 4.680 -3.052 1.00 14.22 H new ATOM 0 HG LEU A 65 -8.294 3.974 -1.982 1.00 72.41 H new ATOM 0 HD11 LEU A 65 -9.473 5.512 -0.441 1.00 42.20 H new ATOM 0 HD12 LEU A 65 -7.984 4.847 0.274 1.00 42.20 H new ATOM 0 HD13 LEU A 65 -8.008 6.517 -0.341 1.00 42.20 H new ATOM 0 HD21 LEU A 65 -9.674 5.834 -2.892 1.00 35.43 H new ATOM 0 HD22 LEU A 65 -8.218 6.855 -2.978 1.00 35.43 H new ATOM 0 HD23 LEU A 65 -8.339 5.391 -3.983 1.00 35.43 H new ATOM 983 N CYS A 66 -6.360 1.914 -0.047 1.00 50.24 N ATOM 984 CA CYS A 66 -7.049 0.610 0.021 1.00 11.11 C ATOM 985 C CYS A 66 -8.568 0.826 -0.145 1.00 30.20 C ATOM 986 O CYS A 66 -9.312 0.990 0.831 1.00 71.25 O ATOM 987 CB CYS A 66 -6.740 -0.084 1.367 1.00 1.22 C ATOM 988 SG CYS A 66 -7.574 -1.666 1.622 1.00 3.03 S ATOM 0 H CYS A 66 -6.080 2.275 0.865 1.00 50.24 H new ATOM 0 HA CYS A 66 -6.693 -0.034 -0.783 1.00 11.11 H new ATOM 0 HB2 CYS A 66 -5.664 -0.243 1.438 1.00 1.22 H new ATOM 0 HB3 CYS A 66 -7.017 0.590 2.178 1.00 1.22 H new ATOM 0 HG CYS A 66 -6.703 -2.629 1.570 1.00 3.03 H new ATOM 994 N ASP A 67 -9.000 0.847 -1.406 1.00 22.32 N ATOM 995 CA ASP A 67 -10.392 1.095 -1.796 1.00 43.21 C ATOM 996 C ASP A 67 -11.221 -0.209 -1.727 1.00 13.10 C ATOM 997 O ASP A 67 -11.171 -1.038 -2.641 1.00 11.33 O ATOM 998 CB ASP A 67 -10.416 1.713 -3.220 1.00 1.44 C ATOM 999 CG ASP A 67 -11.835 2.020 -3.729 1.00 11.54 C ATOM 1000 OD1 ASP A 67 -12.408 3.056 -3.334 1.00 11.10 O ATOM 1001 OD2 ASP A 67 -12.379 1.233 -4.534 1.00 11.23 O ATOM 0 H ASP A 67 -8.382 0.689 -2.202 1.00 22.32 H new ATOM 0 HA ASP A 67 -10.848 1.799 -1.100 1.00 43.21 H new ATOM 0 HB2 ASP A 67 -9.832 2.633 -3.219 1.00 1.44 H new ATOM 0 HB3 ASP A 67 -9.930 1.027 -3.914 1.00 1.44 H new ATOM 1006 N ALA A 68 -11.937 -0.405 -0.610 1.00 70.40 N ATOM 1007 CA ALA A 68 -12.849 -1.559 -0.429 1.00 13.02 C ATOM 1008 C ALA A 68 -14.271 -1.233 -0.956 1.00 61.53 C ATOM 1009 O ALA A 68 -14.625 -0.053 -1.068 1.00 2.24 O ATOM 1010 CB ALA A 68 -12.895 -1.965 1.058 1.00 34.14 C ATOM 0 H ALA A 68 -11.905 0.224 0.192 1.00 70.40 H new ATOM 0 HA ALA A 68 -12.466 -2.398 -1.010 1.00 13.02 H new ATOM 0 HB1 ALA A 68 -13.567 -2.814 1.183 1.00 34.14 H new ATOM 0 HB2 ALA A 68 -11.895 -2.243 1.390 1.00 34.14 H new ATOM 0 HB3 ALA A 68 -13.255 -1.126 1.653 1.00 34.14 H new ATOM 1016 N PRO A 69 -15.127 -2.266 -1.274 1.00 43.21 N ATOM 1017 CA PRO A 69 -16.560 -2.041 -1.653 1.00 72.02 C ATOM 1018 C PRO A 69 -17.484 -1.709 -0.437 1.00 42.11 C ATOM 1019 O PRO A 69 -18.666 -2.081 -0.428 1.00 44.24 O ATOM 1020 CB PRO A 69 -16.939 -3.397 -2.302 1.00 25.24 C ATOM 1021 CG PRO A 69 -16.097 -4.404 -1.577 1.00 24.11 C ATOM 1022 CD PRO A 69 -14.767 -3.721 -1.344 1.00 42.23 C ATOM 0 HA PRO A 69 -16.688 -1.177 -2.305 1.00 72.02 H new ATOM 0 HB2 PRO A 69 -18.002 -3.610 -2.186 1.00 25.24 H new ATOM 0 HB3 PRO A 69 -16.728 -3.399 -3.371 1.00 25.24 H new ATOM 0 HG2 PRO A 69 -16.559 -4.697 -0.634 1.00 24.11 H new ATOM 0 HG3 PRO A 69 -15.974 -5.312 -2.167 1.00 24.11 H new ATOM 0 HD2 PRO A 69 -14.297 -4.063 -0.422 1.00 42.23 H new ATOM 0 HD3 PRO A 69 -14.065 -3.922 -2.153 1.00 42.23 H new ATOM 1030 N GLN A 70 -16.957 -0.954 0.554 1.00 70.44 N ATOM 1031 CA GLN A 70 -17.687 -0.631 1.801 1.00 31.14 C ATOM 1032 C GLN A 70 -16.961 0.535 2.548 1.00 4.23 C ATOM 1033 O GLN A 70 -17.569 1.563 2.866 1.00 63.14 O ATOM 1034 CB GLN A 70 -17.809 -1.919 2.695 1.00 52.40 C ATOM 1035 CG GLN A 70 -19.020 -1.962 3.667 1.00 44.55 C ATOM 1036 CD GLN A 70 -18.987 -0.946 4.817 1.00 30.25 C ATOM 1037 OE1 GLN A 70 -17.812 -0.635 5.326 1.00 74.53 O flip ATOM 1038 NE2 GLN A 70 -20.020 -0.475 5.277 1.00 64.44 N flip ATOM 0 H GLN A 70 -16.020 -0.554 0.512 1.00 70.44 H new ATOM 0 HA GLN A 70 -18.698 -0.296 1.567 1.00 31.14 H new ATOM 0 HB2 GLN A 70 -17.864 -2.788 2.039 1.00 52.40 H new ATOM 0 HB3 GLN A 70 -16.895 -2.018 3.280 1.00 52.40 H new ATOM 0 HG2 GLN A 70 -19.931 -1.801 3.090 1.00 44.55 H new ATOM 0 HG3 GLN A 70 -19.085 -2.963 4.093 1.00 44.55 H new ATOM 0 HE21 GLN A 70 -20.921 -0.727 4.870 1.00 64.44 H new ATOM 0 HE22 GLN A 70 -19.979 0.169 6.067 1.00 64.44 H new ATOM 1047 N ASP A 71 -15.644 0.351 2.814 1.00 24.13 N ATOM 1048 CA ASP A 71 -14.807 1.322 3.575 1.00 21.54 C ATOM 1049 C ASP A 71 -13.405 1.475 2.922 1.00 11.42 C ATOM 1050 O ASP A 71 -12.585 0.555 2.967 1.00 24.11 O ATOM 1051 CB ASP A 71 -14.709 0.844 5.049 1.00 13.31 C ATOM 1052 CG ASP A 71 -13.769 1.646 5.961 1.00 13.00 C ATOM 1053 OD1 ASP A 71 -13.977 2.870 6.132 1.00 64.52 O ATOM 1054 OD2 ASP A 71 -12.836 1.043 6.542 1.00 10.22 O ATOM 0 H ASP A 71 -15.129 -0.474 2.508 1.00 24.13 H new ATOM 0 HA ASP A 71 -15.270 2.309 3.554 1.00 21.54 H new ATOM 0 HB2 ASP A 71 -15.709 0.866 5.483 1.00 13.31 H new ATOM 0 HB3 ASP A 71 -14.383 -0.196 5.051 1.00 13.31 H new ATOM 1059 N SER A 72 -13.161 2.637 2.295 1.00 41.51 N ATOM 1060 CA SER A 72 -11.874 2.967 1.638 1.00 3.14 C ATOM 1061 C SER A 72 -10.938 3.731 2.605 1.00 5.14 C ATOM 1062 O SER A 72 -11.312 4.781 3.139 1.00 70.03 O ATOM 1063 CB SER A 72 -12.137 3.805 0.363 1.00 4.23 C ATOM 1064 OG SER A 72 -12.921 4.958 0.647 1.00 60.12 O ATOM 0 H SER A 72 -13.853 3.383 2.226 1.00 41.51 H new ATOM 0 HA SER A 72 -11.378 2.038 1.358 1.00 3.14 H new ATOM 0 HB2 SER A 72 -11.187 4.109 -0.076 1.00 4.23 H new ATOM 0 HB3 SER A 72 -12.648 3.190 -0.378 1.00 4.23 H new ATOM 0 HG SER A 72 -12.698 5.293 1.541 1.00 60.12 H new ATOM 1070 N ARG A 73 -9.716 3.201 2.820 1.00 65.11 N ATOM 1071 CA ARG A 73 -8.727 3.811 3.740 1.00 54.32 C ATOM 1072 C ARG A 73 -7.496 4.358 2.989 1.00 71.02 C ATOM 1073 O ARG A 73 -6.982 3.716 2.072 1.00 2.41 O ATOM 1074 CB ARG A 73 -8.228 2.774 4.782 1.00 34.21 C ATOM 1075 CG ARG A 73 -7.478 3.390 5.996 1.00 51.40 C ATOM 1076 CD ARG A 73 -8.409 3.761 7.178 1.00 71.21 C ATOM 1077 NE ARG A 73 -9.579 4.575 6.763 1.00 12.10 N ATOM 1078 CZ ARG A 73 -10.841 4.194 6.861 1.00 1.12 C ATOM 1079 NH1 ARG A 73 -11.162 3.088 7.458 1.00 23.30 N ATOM 1080 NH2 ARG A 73 -11.775 4.927 6.364 1.00 25.00 N ATOM 0 H ARG A 73 -9.387 2.348 2.368 1.00 65.11 H new ATOM 0 HA ARG A 73 -9.241 4.635 4.236 1.00 54.32 H new ATOM 0 HB2 ARG A 73 -9.083 2.206 5.149 1.00 34.21 H new ATOM 0 HB3 ARG A 73 -7.566 2.066 4.283 1.00 34.21 H new ATOM 0 HG2 ARG A 73 -6.726 2.682 6.345 1.00 51.40 H new ATOM 0 HG3 ARG A 73 -6.947 4.284 5.669 1.00 51.40 H new ATOM 0 HD2 ARG A 73 -8.761 2.847 7.657 1.00 71.21 H new ATOM 0 HD3 ARG A 73 -7.837 4.312 7.925 1.00 71.21 H new ATOM 0 HE ARG A 73 -9.395 5.499 6.372 1.00 12.10 H new ATOM 0 HH11 ARG A 73 -10.435 2.497 7.861 1.00 23.30 H new ATOM 0 HH12 ARG A 73 -12.141 2.810 7.524 1.00 23.30 H new ATOM 0 HH21 ARG A 73 -11.541 5.802 5.894 1.00 25.00 H new ATOM 0 HH22 ARG A 73 -12.749 4.633 6.440 1.00 25.00 H new ATOM 1094 N ILE A 74 -7.014 5.537 3.408 1.00 54.13 N ATOM 1095 CA ILE A 74 -5.731 6.093 2.943 1.00 21.24 C ATOM 1096 C ILE A 74 -4.586 5.595 3.866 1.00 10.50 C ATOM 1097 O ILE A 74 -4.704 5.643 5.094 1.00 12.34 O ATOM 1098 CB ILE A 74 -5.774 7.668 2.936 1.00 61.35 C ATOM 1099 CG1 ILE A 74 -6.978 8.188 2.074 1.00 62.11 C ATOM 1100 CG2 ILE A 74 -4.432 8.267 2.442 1.00 43.20 C ATOM 1101 CD1 ILE A 74 -7.156 9.702 2.067 1.00 1.45 C ATOM 0 H ILE A 74 -7.500 6.133 4.078 1.00 54.13 H new ATOM 0 HA ILE A 74 -5.550 5.753 1.923 1.00 21.24 H new ATOM 0 HB ILE A 74 -5.923 8.003 3.962 1.00 61.35 H new ATOM 0 HG12 ILE A 74 -6.844 7.848 1.047 1.00 62.11 H new ATOM 0 HG13 ILE A 74 -7.895 7.731 2.444 1.00 62.11 H new ATOM 0 HG21 ILE A 74 -4.495 9.355 2.449 1.00 43.20 H new ATOM 0 HG22 ILE A 74 -3.626 7.946 3.101 1.00 43.20 H new ATOM 0 HG23 ILE A 74 -4.231 7.922 1.428 1.00 43.20 H new ATOM 0 HD11 ILE A 74 -8.012 9.965 1.445 1.00 1.45 H new ATOM 0 HD12 ILE A 74 -7.325 10.053 3.085 1.00 1.45 H new ATOM 0 HD13 ILE A 74 -6.258 10.172 1.666 1.00 1.45 H new ATOM 1113 N PHE A 75 -3.503 5.082 3.268 1.00 12.44 N ATOM 1114 CA PHE A 75 -2.303 4.626 4.005 1.00 14.23 C ATOM 1115 C PHE A 75 -1.189 5.670 3.857 1.00 31.50 C ATOM 1116 O PHE A 75 -0.562 5.772 2.794 1.00 62.12 O ATOM 1117 CB PHE A 75 -1.820 3.236 3.480 1.00 52.34 C ATOM 1118 CG PHE A 75 -2.687 2.050 3.900 1.00 41.11 C ATOM 1119 CD1 PHE A 75 -4.073 2.079 3.751 1.00 41.21 C ATOM 1120 CD2 PHE A 75 -2.115 0.915 4.475 1.00 74.42 C ATOM 1121 CE1 PHE A 75 -4.851 1.021 4.155 1.00 33.51 C ATOM 1122 CE2 PHE A 75 -2.897 -0.141 4.881 1.00 40.31 C ATOM 1123 CZ PHE A 75 -4.265 -0.083 4.722 1.00 64.34 C ATOM 0 H PHE A 75 -3.428 4.969 2.257 1.00 12.44 H new ATOM 0 HA PHE A 75 -2.558 4.514 5.059 1.00 14.23 H new ATOM 0 HB2 PHE A 75 -1.780 3.270 2.391 1.00 52.34 H new ATOM 0 HB3 PHE A 75 -0.802 3.065 3.831 1.00 52.34 H new ATOM 0 HD1 PHE A 75 -4.542 2.947 3.311 1.00 41.21 H new ATOM 0 HD2 PHE A 75 -1.044 0.865 4.603 1.00 74.42 H new ATOM 0 HE1 PHE A 75 -5.923 1.058 4.027 1.00 33.51 H new ATOM 0 HE2 PHE A 75 -2.440 -1.014 5.323 1.00 40.31 H new ATOM 0 HZ PHE A 75 -4.879 -0.911 5.045 1.00 64.34 H new ATOM 1133 N LEU A 76 -0.965 6.468 4.914 1.00 4.23 N ATOM 1134 CA LEU A 76 0.127 7.453 4.935 1.00 75.21 C ATOM 1135 C LEU A 76 1.443 6.726 5.279 1.00 10.34 C ATOM 1136 O LEU A 76 1.753 6.501 6.456 1.00 61.11 O ATOM 1137 CB LEU A 76 -0.176 8.577 5.962 1.00 20.41 C ATOM 1138 CG LEU A 76 -1.522 9.344 5.777 1.00 53.04 C ATOM 1139 CD1 LEU A 76 -1.715 10.400 6.887 1.00 25.51 C ATOM 1140 CD2 LEU A 76 -1.630 9.983 4.374 1.00 44.21 C ATOM 0 H LEU A 76 -1.527 6.450 5.765 1.00 4.23 H new ATOM 0 HA LEU A 76 0.222 7.922 3.956 1.00 75.21 H new ATOM 0 HB2 LEU A 76 -0.167 8.139 6.960 1.00 20.41 H new ATOM 0 HB3 LEU A 76 0.638 9.302 5.925 1.00 20.41 H new ATOM 0 HG LEU A 76 -2.327 8.614 5.862 1.00 53.04 H new ATOM 0 HD11 LEU A 76 -2.661 10.920 6.734 1.00 25.51 H new ATOM 0 HD12 LEU A 76 -1.724 9.908 7.860 1.00 25.51 H new ATOM 0 HD13 LEU A 76 -0.896 11.119 6.852 1.00 25.51 H new ATOM 0 HD21 LEU A 76 -2.581 10.508 4.285 1.00 44.21 H new ATOM 0 HD22 LEU A 76 -0.812 10.689 4.232 1.00 44.21 H new ATOM 0 HD23 LEU A 76 -1.573 9.204 3.614 1.00 44.21 H new ATOM 1152 N VAL A 77 2.174 6.310 4.236 1.00 30.22 N ATOM 1153 CA VAL A 77 3.416 5.526 4.384 1.00 43.54 C ATOM 1154 C VAL A 77 4.643 6.447 4.460 1.00 2.23 C ATOM 1155 O VAL A 77 4.820 7.313 3.610 1.00 22.21 O ATOM 1156 CB VAL A 77 3.576 4.492 3.207 1.00 63.43 C ATOM 1157 CG1 VAL A 77 4.921 3.712 3.282 1.00 12.21 C ATOM 1158 CG2 VAL A 77 2.366 3.524 3.177 1.00 31.23 C ATOM 0 H VAL A 77 1.925 6.505 3.266 1.00 30.22 H new ATOM 0 HA VAL A 77 3.347 4.970 5.319 1.00 43.54 H new ATOM 0 HB VAL A 77 3.598 5.056 2.274 1.00 63.43 H new ATOM 0 HG11 VAL A 77 4.983 3.012 2.449 1.00 12.21 H new ATOM 0 HG12 VAL A 77 5.753 4.415 3.228 1.00 12.21 H new ATOM 0 HG13 VAL A 77 4.971 3.162 4.222 1.00 12.21 H new ATOM 0 HG21 VAL A 77 2.488 2.814 2.359 1.00 31.23 H new ATOM 0 HG22 VAL A 77 2.309 2.983 4.122 1.00 31.23 H new ATOM 0 HG23 VAL A 77 1.448 4.093 3.029 1.00 31.23 H new ATOM 1168 N SER A 78 5.473 6.257 5.498 1.00 41.00 N ATOM 1169 CA SER A 78 6.739 7.004 5.669 1.00 70.04 C ATOM 1170 C SER A 78 7.941 6.078 5.373 1.00 43.32 C ATOM 1171 O SER A 78 8.228 5.160 6.139 1.00 11.40 O ATOM 1172 CB SER A 78 6.830 7.581 7.106 1.00 52.51 C ATOM 1173 OG SER A 78 6.765 6.561 8.097 1.00 11.13 O ATOM 0 H SER A 78 5.290 5.584 6.243 1.00 41.00 H new ATOM 0 HA SER A 78 6.761 7.836 4.965 1.00 70.04 H new ATOM 0 HB2 SER A 78 7.763 8.134 7.216 1.00 52.51 H new ATOM 0 HB3 SER A 78 6.018 8.291 7.263 1.00 52.51 H new ATOM 0 HG SER A 78 7.214 5.755 7.767 1.00 11.13 H new ATOM 1179 N VAL A 79 8.628 6.304 4.241 1.00 32.55 N ATOM 1180 CA VAL A 79 9.810 5.508 3.848 1.00 43.12 C ATOM 1181 C VAL A 79 11.090 6.278 4.240 1.00 72.13 C ATOM 1182 O VAL A 79 11.450 7.266 3.585 1.00 23.44 O ATOM 1183 CB VAL A 79 9.823 5.198 2.306 1.00 15.33 C ATOM 1184 CG1 VAL A 79 10.962 4.213 1.954 1.00 33.21 C ATOM 1185 CG2 VAL A 79 8.447 4.671 1.820 1.00 23.22 C ATOM 0 H VAL A 79 8.385 7.037 3.575 1.00 32.55 H new ATOM 0 HA VAL A 79 9.767 4.553 4.372 1.00 43.12 H new ATOM 0 HB VAL A 79 10.013 6.133 1.779 1.00 15.33 H new ATOM 0 HG11 VAL A 79 10.952 4.013 0.883 1.00 33.21 H new ATOM 0 HG12 VAL A 79 11.921 4.651 2.232 1.00 33.21 H new ATOM 0 HG13 VAL A 79 10.817 3.280 2.499 1.00 33.21 H new ATOM 0 HG21 VAL A 79 8.493 4.467 0.750 1.00 23.22 H new ATOM 0 HG22 VAL A 79 8.200 3.753 2.354 1.00 23.22 H new ATOM 0 HG23 VAL A 79 7.681 5.422 2.014 1.00 23.22 H new ATOM 1195 N GLU A 80 11.775 5.812 5.299 1.00 22.54 N ATOM 1196 CA GLU A 80 12.907 6.550 5.908 1.00 72.23 C ATOM 1197 C GLU A 80 13.689 5.681 6.912 1.00 55.14 C ATOM 1198 O GLU A 80 13.273 4.561 7.240 1.00 63.34 O ATOM 1199 CB GLU A 80 12.391 7.836 6.610 1.00 54.22 C ATOM 1200 CG GLU A 80 11.383 7.589 7.752 1.00 0.24 C ATOM 1201 CD GLU A 80 10.829 8.898 8.325 1.00 42.34 C ATOM 1202 OE1 GLU A 80 11.494 9.514 9.187 1.00 41.33 O ATOM 1203 OE2 GLU A 80 9.748 9.337 7.886 1.00 42.33 O ATOM 0 H GLU A 80 11.567 4.924 5.756 1.00 22.54 H new ATOM 0 HA GLU A 80 13.590 6.822 5.104 1.00 72.23 H new ATOM 0 HB2 GLU A 80 13.245 8.382 7.010 1.00 54.22 H new ATOM 0 HB3 GLU A 80 11.923 8.478 5.864 1.00 54.22 H new ATOM 0 HG2 GLU A 80 10.559 6.978 7.382 1.00 0.24 H new ATOM 0 HG3 GLU A 80 11.868 7.022 8.547 1.00 0.24 H new ATOM 1210 N GLU A 81 14.823 6.241 7.392 1.00 4.32 N ATOM 1211 CA GLU A 81 15.786 5.556 8.290 1.00 5.31 C ATOM 1212 C GLU A 81 16.338 4.257 7.625 1.00 62.22 C ATOM 1213 O GLU A 81 15.763 3.183 7.800 1.00 15.21 O ATOM 1214 CB GLU A 81 15.169 5.274 9.697 1.00 41.03 C ATOM 1215 CG GLU A 81 16.149 4.658 10.717 1.00 73.55 C ATOM 1216 CD GLU A 81 15.529 4.486 12.114 1.00 4.02 C ATOM 1217 OE1 GLU A 81 14.801 3.499 12.334 1.00 22.42 O ATOM 1218 OE2 GLU A 81 15.755 5.351 12.992 1.00 33.25 O ATOM 0 H GLU A 81 15.100 7.196 7.164 1.00 4.32 H new ATOM 0 HA GLU A 81 16.628 6.229 8.449 1.00 5.31 H new ATOM 0 HB2 GLU A 81 14.782 6.209 10.103 1.00 41.03 H new ATOM 0 HB3 GLU A 81 14.319 4.602 9.578 1.00 41.03 H new ATOM 0 HG2 GLU A 81 16.483 3.687 10.351 1.00 73.55 H new ATOM 0 HG3 GLU A 81 17.033 5.292 10.793 1.00 73.55 H new ATOM 1225 N PRO A 82 17.436 4.356 6.806 1.00 11.32 N ATOM 1226 CA PRO A 82 17.954 3.209 6.007 1.00 33.34 C ATOM 1227 C PRO A 82 18.784 2.167 6.845 1.00 20.11 C ATOM 1228 O PRO A 82 18.193 1.165 7.313 1.00 36.50 O ATOM 1229 CB PRO A 82 18.772 3.938 4.904 1.00 25.11 C ATOM 1230 CG PRO A 82 19.289 5.184 5.562 1.00 14.42 C ATOM 1231 CD PRO A 82 18.243 5.595 6.583 1.00 14.31 C ATOM 1232 OXT PRO A 82 20.006 2.347 7.042 1.00 36.50 O ATOM 0 HA PRO A 82 17.168 2.568 5.608 1.00 33.34 H new ATOM 0 HB2 PRO A 82 19.590 3.315 4.542 1.00 25.11 H new ATOM 0 HB3 PRO A 82 18.148 4.177 4.043 1.00 25.11 H new ATOM 0 HG2 PRO A 82 20.250 4.999 6.043 1.00 14.42 H new ATOM 0 HG3 PRO A 82 19.447 5.974 4.828 1.00 14.42 H new ATOM 0 HD2 PRO A 82 18.705 5.941 7.508 1.00 14.31 H new ATOM 0 HD3 PRO A 82 17.624 6.411 6.211 1.00 14.31 H new