USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 658 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 54 GLN : amide:sc= -0.683 K(o=-1.8,f=-3.4) USER MOD Set 1.2: A 58 GLN : amide:sc= -1.08 K(o=-1.8,f=-3.4!) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0.094 USER MOD Set 2.2: A 41 GLN : amide:sc= -0.146 K(o=-0.052,f=-3.8!) USER MOD Set 3.1: A 2 HIS : no HE2:sc= 0.522 K(o=1.1,f=-0.66) USER MOD Set 3.2: A 4 SER OG : rot 139:sc= 0.56 USER MOD Single : A 1 SER N :NH3+ 156:sc=0.000566 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0503 (180deg=-0.337) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.8!) USER MOD Single : A 14 THR OG1 : rot 140:sc= -0.0283 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.562 USER MOD Single : A 17 THR OG1 : rot -153:sc= -1.14 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -79:sc= 0.141 USER MOD Single : A 20 GLN : amide:sc= 0.297 K(o=0.3,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -0.908 (180deg=-1.43!) USER MOD Single : A 29 GLN : amide:sc= 0.0261 X(o=0.026,f=-0.0065) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0419) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.379 X(o=-0.38,f=0.072) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -75:sc= 0.597 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc=-0.00232 (180deg=-0.0464) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0174) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.06 F(o=-1.9,f=-1.1) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.160 40.710 17.602 1.00 51.05 N ATOM 2 CA SER A 1 16.409 39.973 17.280 1.00 12.41 C ATOM 3 C SER A 1 16.208 38.443 17.437 1.00 25.41 C ATOM 4 O SER A 1 16.397 37.888 18.526 1.00 54.23 O ATOM 5 CB SER A 1 17.569 40.485 18.166 1.00 34.23 C ATOM 6 OG SER A 1 17.772 41.883 17.998 1.00 4.41 O ATOM 0 H1 SER A 1 15.394 41.682 17.887 1.00 51.05 H new ATOM 0 H2 SER A 1 14.545 40.734 16.764 1.00 51.05 H new ATOM 0 H3 SER A 1 14.665 40.231 18.381 1.00 51.05 H new ATOM 0 HA SER A 1 16.667 40.159 16.238 1.00 12.41 H new ATOM 0 HB2 SER A 1 17.352 40.270 19.212 1.00 34.23 H new ATOM 0 HB3 SER A 1 18.485 39.950 17.914 1.00 34.23 H new ATOM 0 HG SER A 1 18.510 42.178 18.572 1.00 4.41 H new ATOM 14 N HIS A 2 15.783 37.784 16.341 1.00 53.25 N ATOM 15 CA HIS A 2 15.565 36.315 16.295 1.00 51.22 C ATOM 16 C HIS A 2 15.540 35.842 14.817 1.00 73.41 C ATOM 17 O HIS A 2 14.536 36.024 14.118 1.00 72.05 O ATOM 18 CB HIS A 2 14.249 35.924 17.033 1.00 61.53 C ATOM 19 CG HIS A 2 14.029 34.432 17.202 1.00 23.15 C ATOM 20 ND1 HIS A 2 14.292 33.760 18.380 1.00 54.03 N ATOM 21 CD2 HIS A 2 13.558 33.487 16.343 1.00 34.42 C ATOM 22 CE1 HIS A 2 13.997 32.481 18.237 1.00 34.01 C ATOM 23 NE2 HIS A 2 13.553 32.285 17.012 1.00 33.11 N ATOM 0 H HIS A 2 15.579 38.252 15.458 1.00 53.25 H new ATOM 0 HA HIS A 2 16.386 35.817 16.810 1.00 51.22 H new ATOM 0 HB2 HIS A 2 14.250 36.390 18.018 1.00 61.53 H new ATOM 0 HB3 HIS A 2 13.405 36.341 16.484 1.00 61.53 H new ATOM 0 HD1 HIS A 2 14.658 34.187 19.231 1.00 54.03 H new ATOM 0 HD2 HIS A 2 13.245 33.651 15.322 1.00 34.42 H new ATOM 0 HE1 HIS A 2 14.102 31.722 18.998 1.00 34.01 H new ATOM 32 N MET A 3 16.664 35.266 14.347 1.00 30.10 N ATOM 33 CA MET A 3 16.777 34.703 12.979 1.00 42.52 C ATOM 34 C MET A 3 16.725 33.148 13.016 1.00 54.32 C ATOM 35 O MET A 3 17.607 32.491 13.583 1.00 11.05 O ATOM 36 CB MET A 3 18.076 35.216 12.277 1.00 72.14 C ATOM 37 CG MET A 3 19.386 34.970 13.047 1.00 24.12 C ATOM 38 SD MET A 3 20.851 35.570 12.172 1.00 53.00 S ATOM 39 CE MET A 3 20.877 34.520 10.713 1.00 24.20 C ATOM 0 H MET A 3 17.517 35.176 14.899 1.00 30.10 H new ATOM 0 HA MET A 3 15.925 35.047 12.392 1.00 42.52 H new ATOM 0 HB2 MET A 3 18.154 34.738 11.301 1.00 72.14 H new ATOM 0 HB3 MET A 3 17.974 36.287 12.100 1.00 72.14 H new ATOM 0 HG2 MET A 3 19.326 35.459 14.019 1.00 24.12 H new ATOM 0 HG3 MET A 3 19.495 33.902 13.234 1.00 24.12 H new ATOM 0 HE1 MET A 3 21.852 34.592 10.230 1.00 24.20 H new ATOM 0 HE2 MET A 3 20.692 33.486 11.005 1.00 24.20 H new ATOM 0 HE3 MET A 3 20.103 34.844 10.018 1.00 24.20 H new ATOM 49 N SER A 4 15.661 32.570 12.428 1.00 55.24 N ATOM 50 CA SER A 4 15.462 31.098 12.356 1.00 30.45 C ATOM 51 C SER A 4 14.999 30.681 10.940 1.00 11.21 C ATOM 52 O SER A 4 14.069 31.277 10.379 1.00 64.52 O ATOM 53 CB SER A 4 14.421 30.632 13.413 1.00 74.21 C ATOM 54 OG SER A 4 14.828 30.944 14.744 1.00 43.24 O ATOM 0 H SER A 4 14.912 33.104 11.988 1.00 55.24 H new ATOM 0 HA SER A 4 16.417 30.617 12.570 1.00 30.45 H new ATOM 0 HB2 SER A 4 13.461 31.105 13.208 1.00 74.21 H new ATOM 0 HB3 SER A 4 14.271 29.556 13.323 1.00 74.21 H new ATOM 0 HG SER A 4 14.056 31.265 15.255 1.00 43.24 H new ATOM 60 N ASN A 5 15.660 29.655 10.371 1.00 35.50 N ATOM 61 CA ASN A 5 15.301 29.098 9.045 1.00 33.44 C ATOM 62 C ASN A 5 14.055 28.176 9.131 1.00 51.24 C ATOM 63 O ASN A 5 13.697 27.681 10.205 1.00 32.55 O ATOM 64 CB ASN A 5 16.493 28.313 8.448 1.00 50.24 C ATOM 65 CG ASN A 5 17.737 29.177 8.239 1.00 53.00 C ATOM 66 OD1 ASN A 5 17.889 29.828 7.212 1.00 3.42 O ATOM 67 ND2 ASN A 5 18.636 29.186 9.203 1.00 73.22 N ATOM 0 H ASN A 5 16.453 29.189 10.811 1.00 35.50 H new ATOM 0 HA ASN A 5 15.058 29.937 8.393 1.00 33.44 H new ATOM 0 HB2 ASN A 5 16.741 27.483 9.110 1.00 50.24 H new ATOM 0 HB3 ASN A 5 16.194 27.881 7.493 1.00 50.24 H new ATOM 0 HD21 ASN A 5 19.484 29.744 9.104 1.00 73.22 H new ATOM 0 HD22 ASN A 5 18.484 28.635 10.047 1.00 73.22 H new ATOM 74 N LYS A 6 13.409 27.956 7.977 1.00 35.43 N ATOM 75 CA LYS A 6 12.209 27.102 7.857 1.00 21.44 C ATOM 76 C LYS A 6 12.618 25.682 7.391 1.00 4.55 C ATOM 77 O LYS A 6 12.812 25.440 6.189 1.00 72.34 O ATOM 78 CB LYS A 6 11.172 27.745 6.873 1.00 12.33 C ATOM 79 CG LYS A 6 10.339 28.935 7.429 1.00 11.01 C ATOM 80 CD LYS A 6 11.172 30.164 7.880 1.00 53.43 C ATOM 81 CE LYS A 6 12.034 30.782 6.760 1.00 33.12 C ATOM 82 NZ LYS A 6 11.228 31.219 5.589 1.00 21.24 N ATOM 0 H LYS A 6 13.704 28.367 7.091 1.00 35.43 H new ATOM 0 HA LYS A 6 11.731 27.019 8.833 1.00 21.44 H new ATOM 0 HB2 LYS A 6 11.708 28.087 5.987 1.00 12.33 H new ATOM 0 HB3 LYS A 6 10.482 26.967 6.547 1.00 12.33 H new ATOM 0 HG2 LYS A 6 9.633 29.255 6.662 1.00 11.01 H new ATOM 0 HG3 LYS A 6 9.751 28.583 8.276 1.00 11.01 H new ATOM 0 HD2 LYS A 6 10.496 30.926 8.267 1.00 53.43 H new ATOM 0 HD3 LYS A 6 11.822 29.867 8.703 1.00 53.43 H new ATOM 0 HE2 LYS A 6 12.581 31.636 7.158 1.00 33.12 H new ATOM 0 HE3 LYS A 6 12.775 30.053 6.434 1.00 33.12 H new ATOM 0 HZ1 LYS A 6 11.857 31.626 4.867 1.00 21.24 H new ATOM 0 HZ2 LYS A 6 10.725 30.401 5.189 1.00 21.24 H new ATOM 0 HZ3 LYS A 6 10.538 31.936 5.891 1.00 21.24 H new ATOM 96 N GLY A 7 12.792 24.761 8.363 1.00 74.45 N ATOM 97 CA GLY A 7 13.175 23.364 8.089 1.00 44.41 C ATOM 98 C GLY A 7 11.993 22.508 7.612 1.00 43.22 C ATOM 99 O GLY A 7 11.489 21.649 8.346 1.00 61.15 O ATOM 0 H GLY A 7 12.671 24.966 9.355 1.00 74.45 H new ATOM 0 HA2 GLY A 7 13.959 23.348 7.331 1.00 44.41 H new ATOM 0 HA3 GLY A 7 13.596 22.923 8.993 1.00 44.41 H new ATOM 103 N LYS A 8 11.569 22.743 6.358 1.00 20.04 N ATOM 104 CA LYS A 8 10.388 22.086 5.750 1.00 24.22 C ATOM 105 C LYS A 8 10.777 21.187 4.547 1.00 1.31 C ATOM 106 O LYS A 8 11.782 21.437 3.865 1.00 54.33 O ATOM 107 CB LYS A 8 9.363 23.168 5.309 1.00 25.21 C ATOM 108 CG LYS A 8 9.936 24.245 4.357 1.00 31.23 C ATOM 109 CD LYS A 8 8.861 25.229 3.840 1.00 42.21 C ATOM 110 CE LYS A 8 7.798 24.542 2.958 1.00 45.24 C ATOM 111 NZ LYS A 8 6.759 25.491 2.489 1.00 73.33 N ATOM 0 H LYS A 8 12.036 23.397 5.730 1.00 20.04 H new ATOM 0 HA LYS A 8 9.938 21.437 6.502 1.00 24.22 H new ATOM 0 HB2 LYS A 8 8.524 22.676 4.817 1.00 25.21 H new ATOM 0 HB3 LYS A 8 8.968 23.660 6.198 1.00 25.21 H new ATOM 0 HG2 LYS A 8 10.713 24.805 4.877 1.00 31.23 H new ATOM 0 HG3 LYS A 8 10.411 23.755 3.507 1.00 31.23 H new ATOM 0 HD2 LYS A 8 8.370 25.703 4.690 1.00 42.21 H new ATOM 0 HD3 LYS A 8 9.345 26.021 3.268 1.00 42.21 H new ATOM 0 HE2 LYS A 8 8.284 24.084 2.097 1.00 45.24 H new ATOM 0 HE3 LYS A 8 7.325 23.738 3.522 1.00 45.24 H new ATOM 0 HZ1 LYS A 8 6.067 24.985 1.900 1.00 73.33 H new ATOM 0 HZ2 LYS A 8 6.276 25.910 3.309 1.00 73.33 H new ATOM 0 HZ3 LYS A 8 7.205 26.245 1.928 1.00 73.33 H new ATOM 125 N LYS A 9 9.972 20.133 4.304 1.00 11.24 N ATOM 126 CA LYS A 9 10.160 19.204 3.164 1.00 42.12 C ATOM 127 C LYS A 9 9.119 19.501 2.057 1.00 55.20 C ATOM 128 O LYS A 9 7.908 19.371 2.274 1.00 73.13 O ATOM 129 CB LYS A 9 10.045 17.734 3.654 1.00 23.13 C ATOM 130 CG LYS A 9 11.088 17.341 4.730 1.00 33.51 C ATOM 131 CD LYS A 9 11.013 15.855 5.149 1.00 42.13 C ATOM 132 CE LYS A 9 11.313 14.886 3.985 1.00 2.41 C ATOM 133 NZ LYS A 9 11.312 13.469 4.428 1.00 70.55 N ATOM 0 H LYS A 9 9.172 19.899 4.891 1.00 11.24 H new ATOM 0 HA LYS A 9 11.155 19.349 2.743 1.00 42.12 H new ATOM 0 HB2 LYS A 9 9.045 17.574 4.058 1.00 23.13 H new ATOM 0 HB3 LYS A 9 10.153 17.068 2.798 1.00 23.13 H new ATOM 0 HG2 LYS A 9 12.087 17.553 4.350 1.00 33.51 H new ATOM 0 HG3 LYS A 9 10.943 17.966 5.611 1.00 33.51 H new ATOM 0 HD2 LYS A 9 11.722 15.674 5.957 1.00 42.13 H new ATOM 0 HD3 LYS A 9 10.019 15.644 5.544 1.00 42.13 H new ATOM 0 HE2 LYS A 9 10.569 15.021 3.200 1.00 2.41 H new ATOM 0 HE3 LYS A 9 12.283 15.130 3.551 1.00 2.41 H new ATOM 0 HZ1 LYS A 9 11.517 12.852 3.617 1.00 70.55 H new ATOM 0 HZ2 LYS A 9 12.039 13.333 5.159 1.00 70.55 H new ATOM 0 HZ3 LYS A 9 10.379 13.228 4.819 1.00 70.55 H new ATOM 147 N ARG A 10 9.609 19.920 0.875 1.00 52.20 N ATOM 148 CA ARG A 10 8.755 20.330 -0.263 1.00 15.51 C ATOM 149 C ARG A 10 8.442 19.149 -1.220 1.00 61.55 C ATOM 150 O ARG A 10 9.209 18.182 -1.319 1.00 62.21 O ATOM 151 CB ARG A 10 9.423 21.505 -1.041 1.00 4.43 C ATOM 152 CG ARG A 10 10.712 21.141 -1.820 1.00 21.12 C ATOM 153 CD ARG A 10 11.317 22.345 -2.567 1.00 32.54 C ATOM 154 NE ARG A 10 12.462 21.973 -3.427 1.00 2.34 N ATOM 155 CZ ARG A 10 13.022 22.761 -4.325 1.00 51.24 C ATOM 156 NH1 ARG A 10 12.592 23.971 -4.532 1.00 22.41 N ATOM 157 NH2 ARG A 10 14.014 22.327 -5.021 1.00 61.34 N ATOM 0 H ARG A 10 10.608 19.985 0.679 1.00 52.20 H new ATOM 0 HA ARG A 10 7.803 20.667 0.148 1.00 15.51 H new ATOM 0 HB2 ARG A 10 8.697 21.911 -1.745 1.00 4.43 H new ATOM 0 HB3 ARG A 10 9.659 22.299 -0.333 1.00 4.43 H new ATOM 0 HG2 ARG A 10 11.451 20.742 -1.125 1.00 21.12 H new ATOM 0 HG3 ARG A 10 10.488 20.350 -2.536 1.00 21.12 H new ATOM 0 HD2 ARG A 10 10.545 22.811 -3.180 1.00 32.54 H new ATOM 0 HD3 ARG A 10 11.641 23.091 -1.841 1.00 32.54 H new ATOM 0 HE ARG A 10 12.848 21.035 -3.317 1.00 2.34 H new ATOM 0 HH11 ARG A 10 11.804 24.331 -3.994 1.00 22.41 H new ATOM 0 HH12 ARG A 10 13.043 24.560 -5.232 1.00 22.41 H new ATOM 0 HH21 ARG A 10 14.362 21.379 -4.877 1.00 61.34 H new ATOM 0 HH22 ARG A 10 14.452 22.931 -5.717 1.00 61.34 H new ATOM 171 N ARG A 11 7.298 19.254 -1.922 1.00 75.30 N ATOM 172 CA ARG A 11 6.868 18.280 -2.946 1.00 35.54 C ATOM 173 C ARG A 11 7.577 18.557 -4.294 1.00 73.34 C ATOM 174 O ARG A 11 7.305 19.571 -4.952 1.00 61.11 O ATOM 175 CB ARG A 11 5.330 18.350 -3.134 1.00 20.12 C ATOM 176 CG ARG A 11 4.494 17.929 -1.904 1.00 3.35 C ATOM 177 CD ARG A 11 2.979 18.107 -2.138 1.00 35.40 C ATOM 178 NE ARG A 11 2.602 19.534 -2.279 1.00 32.41 N ATOM 179 CZ ARG A 11 2.131 20.118 -3.369 1.00 52.34 C ATOM 180 NH1 ARG A 11 2.025 19.483 -4.501 1.00 74.12 N ATOM 181 NH2 ARG A 11 1.799 21.366 -3.325 1.00 4.12 N ATOM 0 H ARG A 11 6.640 20.023 -1.794 1.00 75.30 H new ATOM 0 HA ARG A 11 7.142 17.281 -2.608 1.00 35.54 H new ATOM 0 HB2 ARG A 11 5.060 19.371 -3.404 1.00 20.12 H new ATOM 0 HB3 ARG A 11 5.054 17.714 -3.975 1.00 20.12 H new ATOM 0 HG2 ARG A 11 4.703 16.886 -1.665 1.00 3.35 H new ATOM 0 HG3 ARG A 11 4.798 18.521 -1.041 1.00 3.35 H new ATOM 0 HD2 ARG A 11 2.685 17.564 -3.036 1.00 35.40 H new ATOM 0 HD3 ARG A 11 2.430 17.668 -1.305 1.00 35.40 H new ATOM 0 HE ARG A 11 2.717 20.124 -1.455 1.00 32.41 H new ATOM 0 HH11 ARG A 11 2.309 18.506 -4.566 1.00 74.12 H new ATOM 0 HH12 ARG A 11 1.658 19.963 -5.323 1.00 74.12 H new ATOM 0 HH21 ARG A 11 1.901 21.891 -2.456 1.00 4.12 H new ATOM 0 HH22 ARG A 11 1.435 21.827 -4.159 1.00 4.12 H new ATOM 195 N ASN A 12 8.500 17.665 -4.689 1.00 23.30 N ATOM 196 CA ASN A 12 9.222 17.767 -5.985 1.00 52.21 C ATOM 197 C ASN A 12 8.592 16.838 -7.065 1.00 31.25 C ATOM 198 O ASN A 12 8.889 16.970 -8.259 1.00 41.41 O ATOM 199 CB ASN A 12 10.722 17.427 -5.776 1.00 74.33 C ATOM 200 CG ASN A 12 11.385 18.325 -4.727 1.00 31.41 C ATOM 201 OD1 ASN A 12 11.959 19.363 -5.044 1.00 32.23 O ATOM 202 ND2 ASN A 12 11.286 17.947 -3.465 1.00 42.41 N ATOM 0 H ASN A 12 8.771 16.856 -4.130 1.00 23.30 H new ATOM 0 HA ASN A 12 9.133 18.791 -6.347 1.00 52.21 H new ATOM 0 HB2 ASN A 12 10.816 16.385 -5.470 1.00 74.33 H new ATOM 0 HB3 ASN A 12 11.250 17.530 -6.724 1.00 74.33 H new ATOM 0 HD21 ASN A 12 11.692 18.522 -2.727 1.00 42.41 H new ATOM 0 HD22 ASN A 12 10.804 17.080 -3.229 1.00 42.41 H new ATOM 209 N ARG A 13 7.718 15.904 -6.629 1.00 54.23 N ATOM 210 CA ARG A 13 7.032 14.937 -7.526 1.00 45.42 C ATOM 211 C ARG A 13 5.495 15.170 -7.451 1.00 25.24 C ATOM 212 O ARG A 13 4.880 15.628 -8.416 1.00 4.41 O ATOM 213 CB ARG A 13 7.402 13.467 -7.110 1.00 24.23 C ATOM 214 CG ARG A 13 7.406 12.376 -8.234 1.00 52.43 C ATOM 215 CD ARG A 13 6.078 12.211 -9.023 1.00 43.40 C ATOM 216 NE ARG A 13 5.905 13.236 -10.081 1.00 11.20 N ATOM 217 CZ ARG A 13 4.778 13.528 -10.705 1.00 62.44 C ATOM 218 NH1 ARG A 13 3.653 12.974 -10.379 1.00 32.23 N ATOM 219 NH2 ARG A 13 4.784 14.431 -11.633 1.00 73.34 N ATOM 0 H ARG A 13 7.466 15.796 -5.647 1.00 54.23 H new ATOM 0 HA ARG A 13 7.358 15.089 -8.555 1.00 45.42 H new ATOM 0 HB2 ARG A 13 8.393 13.485 -6.656 1.00 24.23 H new ATOM 0 HB3 ARG A 13 6.702 13.150 -6.336 1.00 24.23 H new ATOM 0 HG2 ARG A 13 8.200 12.614 -8.942 1.00 52.43 H new ATOM 0 HG3 ARG A 13 7.659 11.417 -7.782 1.00 52.43 H new ATOM 0 HD2 ARG A 13 6.051 11.220 -9.476 1.00 43.40 H new ATOM 0 HD3 ARG A 13 5.239 12.267 -8.329 1.00 43.40 H new ATOM 0 HE ARG A 13 6.734 13.765 -10.352 1.00 11.20 H new ATOM 0 HH11 ARG A 13 3.621 12.292 -9.622 1.00 32.23 H new ATOM 0 HH12 ARG A 13 2.799 13.220 -10.880 1.00 32.23 H new ATOM 0 HH21 ARG A 13 5.653 14.908 -11.875 1.00 73.34 H new ATOM 0 HH22 ARG A 13 3.920 14.665 -12.122 1.00 73.34 H new ATOM 233 N THR A 14 4.917 14.861 -6.270 1.00 61.24 N ATOM 234 CA THR A 14 3.452 14.857 -6.008 1.00 73.24 C ATOM 235 C THR A 14 2.719 13.733 -6.789 1.00 51.20 C ATOM 236 O THR A 14 2.353 13.898 -7.956 1.00 33.31 O ATOM 237 CB THR A 14 2.752 16.248 -6.280 1.00 74.42 C ATOM 238 OG1 THR A 14 3.466 17.297 -5.606 1.00 0.12 O ATOM 239 CG2 THR A 14 1.279 16.272 -5.811 1.00 0.04 C ATOM 0 H THR A 14 5.465 14.601 -5.450 1.00 61.24 H new ATOM 0 HA THR A 14 3.365 14.658 -4.940 1.00 73.24 H new ATOM 0 HB THR A 14 2.767 16.401 -7.359 1.00 74.42 H new ATOM 0 HG1 THR A 14 3.509 18.087 -6.184 1.00 0.12 H new ATOM 0 HG21 THR A 14 0.846 17.250 -6.021 1.00 0.04 H new ATOM 0 HG22 THR A 14 0.716 15.504 -6.341 1.00 0.04 H new ATOM 0 HG23 THR A 14 1.235 16.079 -4.739 1.00 0.04 H new ATOM 247 N THR A 15 2.550 12.582 -6.123 1.00 50.25 N ATOM 248 CA THR A 15 1.665 11.471 -6.566 1.00 3.32 C ATOM 249 C THR A 15 0.948 10.915 -5.323 1.00 10.30 C ATOM 250 O THR A 15 -0.283 10.821 -5.268 1.00 1.23 O ATOM 251 CB THR A 15 2.454 10.306 -7.276 1.00 4.32 C ATOM 252 OG1 THR A 15 3.166 10.810 -8.420 1.00 11.34 O ATOM 253 CG2 THR A 15 1.523 9.157 -7.733 1.00 65.30 C ATOM 0 H THR A 15 3.029 12.384 -5.244 1.00 50.25 H new ATOM 0 HA THR A 15 0.961 11.867 -7.298 1.00 3.32 H new ATOM 0 HB THR A 15 3.152 9.907 -6.540 1.00 4.32 H new ATOM 0 HG1 THR A 15 3.653 10.077 -8.851 1.00 11.34 H new ATOM 0 HG21 THR A 15 2.115 8.380 -8.216 1.00 65.30 H new ATOM 0 HG22 THR A 15 1.011 8.738 -6.867 1.00 65.30 H new ATOM 0 HG23 THR A 15 0.787 9.544 -8.438 1.00 65.30 H new ATOM 261 N PHE A 16 1.772 10.539 -4.328 1.00 63.32 N ATOM 262 CA PHE A 16 1.325 10.171 -2.975 1.00 24.24 C ATOM 263 C PHE A 16 1.884 11.212 -1.972 1.00 12.30 C ATOM 264 O PHE A 16 3.025 11.672 -2.132 1.00 22.50 O ATOM 265 CB PHE A 16 1.822 8.747 -2.597 1.00 31.31 C ATOM 266 CG PHE A 16 1.570 7.672 -3.662 1.00 61.34 C ATOM 267 CD1 PHE A 16 0.291 7.172 -3.884 1.00 2.15 C ATOM 268 CD2 PHE A 16 2.617 7.162 -4.435 1.00 33.22 C ATOM 269 CE1 PHE A 16 0.062 6.202 -4.844 1.00 61.14 C ATOM 270 CE2 PHE A 16 2.386 6.191 -5.394 1.00 71.41 C ATOM 271 CZ PHE A 16 1.108 5.712 -5.598 1.00 11.12 C ATOM 0 H PHE A 16 2.784 10.482 -4.445 1.00 63.32 H new ATOM 0 HA PHE A 16 0.235 10.164 -2.943 1.00 24.24 H new ATOM 0 HB2 PHE A 16 2.892 8.793 -2.394 1.00 31.31 H new ATOM 0 HB3 PHE A 16 1.335 8.442 -1.671 1.00 31.31 H new ATOM 0 HD1 PHE A 16 -0.536 7.546 -3.298 1.00 2.15 H new ATOM 0 HD2 PHE A 16 3.620 7.531 -4.282 1.00 33.22 H new ATOM 0 HE1 PHE A 16 -0.938 5.828 -5.003 1.00 61.14 H new ATOM 0 HE2 PHE A 16 3.206 5.808 -5.983 1.00 71.41 H new ATOM 0 HZ PHE A 16 0.927 4.955 -6.347 1.00 11.12 H new ATOM 281 N THR A 17 1.088 11.589 -0.952 1.00 42.04 N ATOM 282 CA THR A 17 1.538 12.551 0.095 1.00 14.43 C ATOM 283 C THR A 17 2.498 11.865 1.096 1.00 31.41 C ATOM 284 O THR A 17 2.656 10.635 1.072 1.00 4.44 O ATOM 285 CB THR A 17 0.337 13.184 0.895 1.00 21.50 C ATOM 286 OG1 THR A 17 -0.224 12.234 1.823 1.00 21.04 O ATOM 287 CG2 THR A 17 -0.773 13.693 -0.047 1.00 54.25 C ATOM 0 H THR A 17 0.135 11.249 -0.824 1.00 42.04 H new ATOM 0 HA THR A 17 2.055 13.352 -0.433 1.00 14.43 H new ATOM 0 HB THR A 17 0.740 14.033 1.447 1.00 21.50 H new ATOM 0 HG1 THR A 17 -1.166 12.450 1.983 1.00 21.04 H new ATOM 0 HG21 THR A 17 -1.583 14.122 0.543 1.00 54.25 H new ATOM 0 HG22 THR A 17 -0.365 14.455 -0.712 1.00 54.25 H new ATOM 0 HG23 THR A 17 -1.157 12.862 -0.639 1.00 54.25 H new ATOM 295 N SER A 18 3.133 12.672 1.974 1.00 62.12 N ATOM 296 CA SER A 18 4.035 12.155 3.038 1.00 44.12 C ATOM 297 C SER A 18 3.321 11.093 3.903 1.00 44.33 C ATOM 298 O SER A 18 3.803 9.967 4.024 1.00 4.35 O ATOM 299 CB SER A 18 4.543 13.309 3.937 1.00 74.50 C ATOM 300 OG SER A 18 5.371 12.839 4.997 1.00 35.30 O ATOM 0 H SER A 18 3.040 13.688 1.970 1.00 62.12 H new ATOM 0 HA SER A 18 4.889 11.688 2.548 1.00 44.12 H new ATOM 0 HB2 SER A 18 5.102 14.022 3.330 1.00 74.50 H new ATOM 0 HB3 SER A 18 3.690 13.845 4.354 1.00 74.50 H new ATOM 0 HG SER A 18 5.671 13.598 5.539 1.00 35.30 H new ATOM 306 N TYR A 19 2.136 11.466 4.437 1.00 0.14 N ATOM 307 CA TYR A 19 1.291 10.576 5.268 1.00 52.15 C ATOM 308 C TYR A 19 0.925 9.256 4.539 1.00 12.05 C ATOM 309 O TYR A 19 1.031 8.174 5.130 1.00 62.31 O ATOM 310 CB TYR A 19 0.000 11.321 5.709 1.00 20.45 C ATOM 311 CG TYR A 19 -1.030 10.421 6.420 1.00 22.53 C ATOM 312 CD1 TYR A 19 -0.850 10.021 7.748 1.00 60.34 C ATOM 313 CD2 TYR A 19 -2.159 9.938 5.746 1.00 41.41 C ATOM 314 CE1 TYR A 19 -1.760 9.185 8.374 1.00 60.21 C ATOM 315 CE2 TYR A 19 -3.062 9.102 6.367 1.00 34.14 C ATOM 316 CZ TYR A 19 -2.861 8.726 7.680 1.00 4.43 C ATOM 317 OH TYR A 19 -3.763 7.886 8.302 1.00 43.14 O ATOM 0 H TYR A 19 1.737 12.395 4.304 1.00 0.14 H new ATOM 0 HA TYR A 19 1.876 10.306 6.148 1.00 52.15 H new ATOM 0 HB2 TYR A 19 0.274 12.139 6.375 1.00 20.45 H new ATOM 0 HB3 TYR A 19 -0.467 11.768 4.831 1.00 20.45 H new ATOM 0 HD1 TYR A 19 0.013 10.370 8.295 1.00 60.34 H new ATOM 0 HD2 TYR A 19 -2.325 10.227 4.719 1.00 41.41 H new ATOM 0 HE1 TYR A 19 -1.608 8.893 9.403 1.00 60.21 H new ATOM 0 HE2 TYR A 19 -3.925 8.742 5.827 1.00 34.14 H new ATOM 0 HH TYR A 19 -3.408 6.973 8.309 1.00 43.14 H new ATOM 327 N GLN A 20 0.476 9.369 3.265 1.00 32.01 N ATOM 328 CA GLN A 20 0.056 8.195 2.456 1.00 53.51 C ATOM 329 C GLN A 20 1.189 7.151 2.360 1.00 40.14 C ATOM 330 O GLN A 20 0.966 5.976 2.627 1.00 3.31 O ATOM 331 CB GLN A 20 -0.414 8.621 1.034 1.00 21.51 C ATOM 332 CG GLN A 20 -1.668 9.519 1.021 1.00 55.44 C ATOM 333 CD GLN A 20 -2.147 9.898 -0.386 1.00 70.22 C ATOM 334 OE1 GLN A 20 -1.372 9.964 -1.324 1.00 2.02 O ATOM 335 NE2 GLN A 20 -3.424 10.183 -0.536 1.00 14.12 N ATOM 0 H GLN A 20 0.395 10.260 2.775 1.00 32.01 H new ATOM 0 HA GLN A 20 -0.791 7.736 2.967 1.00 53.51 H new ATOM 0 HB2 GLN A 20 0.401 9.148 0.538 1.00 21.51 H new ATOM 0 HB3 GLN A 20 -0.617 7.725 0.448 1.00 21.51 H new ATOM 0 HG2 GLN A 20 -2.476 9.006 1.543 1.00 55.44 H new ATOM 0 HG3 GLN A 20 -1.456 10.431 1.580 1.00 55.44 H new ATOM 0 HE21 GLN A 20 -4.057 10.122 0.261 1.00 14.12 H new ATOM 0 HE22 GLN A 20 -3.780 10.465 -1.449 1.00 14.12 H new ATOM 344 N LEU A 21 2.410 7.620 2.038 1.00 50.32 N ATOM 345 CA LEU A 21 3.619 6.763 1.959 1.00 1.04 C ATOM 346 C LEU A 21 3.930 6.064 3.307 1.00 45.14 C ATOM 347 O LEU A 21 4.270 4.883 3.320 1.00 52.45 O ATOM 348 CB LEU A 21 4.844 7.596 1.490 1.00 11.24 C ATOM 349 CG LEU A 21 4.771 8.150 0.033 1.00 5.01 C ATOM 350 CD1 LEU A 21 5.999 9.019 -0.301 1.00 31.23 C ATOM 351 CD2 LEU A 21 4.609 7.002 -0.986 1.00 13.01 C ATOM 0 H LEU A 21 2.591 8.601 1.825 1.00 50.32 H new ATOM 0 HA LEU A 21 3.414 5.982 1.227 1.00 1.04 H new ATOM 0 HB2 LEU A 21 4.971 8.437 2.172 1.00 11.24 H new ATOM 0 HB3 LEU A 21 5.736 6.976 1.579 1.00 11.24 H new ATOM 0 HG LEU A 21 3.890 8.788 -0.035 1.00 5.01 H new ATOM 0 HD11 LEU A 21 5.916 9.389 -1.323 1.00 31.23 H new ATOM 0 HD12 LEU A 21 6.046 9.863 0.387 1.00 31.23 H new ATOM 0 HD13 LEU A 21 6.905 8.421 -0.204 1.00 31.23 H new ATOM 0 HD21 LEU A 21 4.561 7.414 -1.994 1.00 13.01 H new ATOM 0 HD22 LEU A 21 5.461 6.326 -0.911 1.00 13.01 H new ATOM 0 HD23 LEU A 21 3.691 6.454 -0.774 1.00 13.01 H new ATOM 363 N GLU A 22 3.780 6.800 4.430 1.00 72.34 N ATOM 364 CA GLU A 22 4.045 6.265 5.795 1.00 3.14 C ATOM 365 C GLU A 22 3.047 5.142 6.183 1.00 32.52 C ATOM 366 O GLU A 22 3.347 4.300 7.029 1.00 62.32 O ATOM 367 CB GLU A 22 3.999 7.404 6.850 1.00 14.30 C ATOM 368 CG GLU A 22 4.969 8.582 6.592 1.00 73.24 C ATOM 369 CD GLU A 22 6.458 8.187 6.548 1.00 62.25 C ATOM 370 OE1 GLU A 22 6.964 7.803 5.468 1.00 33.25 O ATOM 371 OE2 GLU A 22 7.138 8.282 7.590 1.00 1.31 O ATOM 0 H GLU A 22 3.475 7.773 4.423 1.00 72.34 H new ATOM 0 HA GLU A 22 5.045 5.832 5.780 1.00 3.14 H new ATOM 0 HB2 GLU A 22 2.982 7.795 6.895 1.00 14.30 H new ATOM 0 HB3 GLU A 22 4.221 6.980 7.829 1.00 14.30 H new ATOM 0 HG2 GLU A 22 4.703 9.054 5.646 1.00 73.24 H new ATOM 0 HG3 GLU A 22 4.828 9.330 7.372 1.00 73.24 H new ATOM 378 N GLU A 23 1.851 5.159 5.577 1.00 11.41 N ATOM 379 CA GLU A 23 0.853 4.079 5.736 1.00 43.23 C ATOM 380 C GLU A 23 1.150 2.900 4.776 1.00 54.14 C ATOM 381 O GLU A 23 1.035 1.734 5.166 1.00 14.52 O ATOM 382 CB GLU A 23 -0.567 4.627 5.468 1.00 31.30 C ATOM 383 CG GLU A 23 -1.026 5.760 6.408 1.00 11.42 C ATOM 384 CD GLU A 23 -1.268 5.301 7.859 1.00 54.55 C ATOM 385 OE1 GLU A 23 -0.302 5.232 8.648 1.00 22.01 O ATOM 386 OE2 GLU A 23 -2.431 5.005 8.221 1.00 14.20 O ATOM 0 H GLU A 23 1.545 5.915 4.965 1.00 11.41 H new ATOM 0 HA GLU A 23 0.913 3.711 6.760 1.00 43.23 H new ATOM 0 HB2 GLU A 23 -0.610 4.990 4.441 1.00 31.30 H new ATOM 0 HB3 GLU A 23 -1.277 3.803 5.546 1.00 31.30 H new ATOM 0 HG2 GLU A 23 -0.274 6.549 6.406 1.00 11.42 H new ATOM 0 HG3 GLU A 23 -1.945 6.196 6.016 1.00 11.42 H new ATOM 393 N LEU A 24 1.530 3.228 3.521 1.00 61.14 N ATOM 394 CA LEU A 24 1.800 2.229 2.453 1.00 52.35 C ATOM 395 C LEU A 24 2.971 1.285 2.838 1.00 63.01 C ATOM 396 O LEU A 24 2.846 0.059 2.740 1.00 43.42 O ATOM 397 CB LEU A 24 2.098 2.956 1.104 1.00 14.22 C ATOM 398 CG LEU A 24 0.906 3.745 0.459 1.00 43.23 C ATOM 399 CD1 LEU A 24 1.377 4.638 -0.712 1.00 75.33 C ATOM 400 CD2 LEU A 24 -0.219 2.793 0.006 1.00 14.12 C ATOM 0 H LEU A 24 1.659 4.193 3.216 1.00 61.14 H new ATOM 0 HA LEU A 24 0.910 1.612 2.334 1.00 52.35 H new ATOM 0 HB2 LEU A 24 2.921 3.652 1.266 1.00 14.22 H new ATOM 0 HB3 LEU A 24 2.445 2.214 0.385 1.00 14.22 H new ATOM 0 HG LEU A 24 0.502 4.400 1.231 1.00 43.23 H new ATOM 0 HD11 LEU A 24 0.522 5.168 -1.132 1.00 75.33 H new ATOM 0 HD12 LEU A 24 2.108 5.360 -0.348 1.00 75.33 H new ATOM 0 HD13 LEU A 24 1.833 4.017 -1.483 1.00 75.33 H new ATOM 0 HD21 LEU A 24 -1.030 3.372 -0.436 1.00 14.12 H new ATOM 0 HD22 LEU A 24 0.172 2.093 -0.732 1.00 14.12 H new ATOM 0 HD23 LEU A 24 -0.596 2.240 0.866 1.00 14.12 H new ATOM 412 N GLU A 25 4.102 1.868 3.297 1.00 10.11 N ATOM 413 CA GLU A 25 5.288 1.084 3.716 1.00 11.42 C ATOM 414 C GLU A 25 5.071 0.378 5.075 1.00 3.43 C ATOM 415 O GLU A 25 5.692 -0.650 5.339 1.00 33.12 O ATOM 416 CB GLU A 25 6.580 1.967 3.695 1.00 71.24 C ATOM 417 CG GLU A 25 6.621 3.200 4.638 1.00 4.10 C ATOM 418 CD GLU A 25 6.871 2.873 6.123 1.00 14.55 C ATOM 419 OE1 GLU A 25 7.937 2.304 6.447 1.00 0.13 O ATOM 420 OE2 GLU A 25 6.018 3.190 6.975 1.00 65.12 O ATOM 0 H GLU A 25 4.219 2.877 3.387 1.00 10.11 H new ATOM 0 HA GLU A 25 5.432 0.287 2.987 1.00 11.42 H new ATOM 0 HB2 GLU A 25 7.428 1.328 3.940 1.00 71.24 H new ATOM 0 HB3 GLU A 25 6.730 2.319 2.674 1.00 71.24 H new ATOM 0 HG2 GLU A 25 7.403 3.877 4.293 1.00 4.10 H new ATOM 0 HG3 GLU A 25 5.676 3.736 4.553 1.00 4.10 H new ATOM 427 N LYS A 26 4.192 0.943 5.919 1.00 63.20 N ATOM 428 CA LYS A 26 3.773 0.318 7.203 1.00 21.52 C ATOM 429 C LYS A 26 3.074 -1.044 6.954 1.00 4.23 C ATOM 430 O LYS A 26 3.382 -2.047 7.610 1.00 2.14 O ATOM 431 CB LYS A 26 2.822 1.272 7.976 1.00 2.35 C ATOM 432 CG LYS A 26 2.324 0.737 9.339 1.00 64.12 C ATOM 433 CD LYS A 26 1.257 1.644 10.014 1.00 44.10 C ATOM 434 CE LYS A 26 1.801 2.991 10.555 1.00 43.22 C ATOM 435 NZ LYS A 26 2.151 3.969 9.491 1.00 1.22 N ATOM 0 H LYS A 26 3.748 1.843 5.739 1.00 63.20 H new ATOM 0 HA LYS A 26 4.665 0.140 7.803 1.00 21.52 H new ATOM 0 HB2 LYS A 26 3.337 2.219 8.141 1.00 2.35 H new ATOM 0 HB3 LYS A 26 1.957 1.485 7.348 1.00 2.35 H new ATOM 0 HG2 LYS A 26 1.904 -0.259 9.197 1.00 64.12 H new ATOM 0 HG3 LYS A 26 3.176 0.631 10.011 1.00 64.12 H new ATOM 0 HD2 LYS A 26 0.466 1.850 9.293 1.00 44.10 H new ATOM 0 HD3 LYS A 26 0.801 1.095 10.838 1.00 44.10 H new ATOM 0 HE2 LYS A 26 1.054 3.436 11.213 1.00 43.22 H new ATOM 0 HE3 LYS A 26 2.685 2.797 11.162 1.00 43.22 H new ATOM 0 HZ1 LYS A 26 3.132 4.288 9.622 1.00 1.22 H new ATOM 0 HZ2 LYS A 26 2.055 3.517 8.559 1.00 1.22 H new ATOM 0 HZ3 LYS A 26 1.511 4.787 9.547 1.00 1.22 H new ATOM 449 N VAL A 27 2.136 -1.058 5.988 1.00 65.42 N ATOM 450 CA VAL A 27 1.425 -2.285 5.566 1.00 13.51 C ATOM 451 C VAL A 27 2.344 -3.196 4.703 1.00 42.41 C ATOM 452 O VAL A 27 2.099 -4.391 4.595 1.00 5.45 O ATOM 453 CB VAL A 27 0.077 -1.922 4.832 1.00 41.44 C ATOM 454 CG1 VAL A 27 -0.689 -3.175 4.319 1.00 11.01 C ATOM 455 CG2 VAL A 27 -0.829 -1.079 5.774 1.00 4.13 C ATOM 0 H VAL A 27 1.849 -0.223 5.478 1.00 65.42 H new ATOM 0 HA VAL A 27 1.163 -2.858 6.455 1.00 13.51 H new ATOM 0 HB VAL A 27 0.339 -1.336 3.951 1.00 41.44 H new ATOM 0 HG11 VAL A 27 -1.608 -2.862 3.823 1.00 11.01 H new ATOM 0 HG12 VAL A 27 -0.063 -3.720 3.613 1.00 11.01 H new ATOM 0 HG13 VAL A 27 -0.934 -3.822 5.161 1.00 11.01 H new ATOM 0 HG21 VAL A 27 -1.758 -0.832 5.260 1.00 4.13 H new ATOM 0 HG22 VAL A 27 -1.053 -1.653 6.673 1.00 4.13 H new ATOM 0 HG23 VAL A 27 -0.312 -0.160 6.050 1.00 4.13 H new ATOM 465 N PHE A 28 3.416 -2.622 4.115 1.00 65.33 N ATOM 466 CA PHE A 28 4.495 -3.411 3.461 1.00 11.05 C ATOM 467 C PHE A 28 5.295 -4.225 4.517 1.00 25.55 C ATOM 468 O PHE A 28 5.723 -5.349 4.241 1.00 50.01 O ATOM 469 CB PHE A 28 5.432 -2.475 2.646 1.00 25.51 C ATOM 470 CG PHE A 28 6.526 -3.175 1.822 1.00 61.22 C ATOM 471 CD1 PHE A 28 6.197 -3.969 0.717 1.00 54.50 C ATOM 472 CD2 PHE A 28 7.881 -3.020 2.133 1.00 22.52 C ATOM 473 CE1 PHE A 28 7.180 -4.584 -0.041 1.00 21.12 C ATOM 474 CE2 PHE A 28 8.865 -3.638 1.374 1.00 14.13 C ATOM 475 CZ PHE A 28 8.514 -4.418 0.286 1.00 45.24 C ATOM 0 H PHE A 28 3.562 -1.613 4.077 1.00 65.33 H new ATOM 0 HA PHE A 28 4.039 -4.119 2.769 1.00 11.05 H new ATOM 0 HB2 PHE A 28 4.820 -1.879 1.969 1.00 25.51 H new ATOM 0 HB3 PHE A 28 5.912 -1.781 3.337 1.00 25.51 H new ATOM 0 HD1 PHE A 28 5.159 -4.104 0.451 1.00 54.50 H new ATOM 0 HD2 PHE A 28 8.166 -2.410 2.977 1.00 22.52 H new ATOM 0 HE1 PHE A 28 6.905 -5.194 -0.889 1.00 21.12 H new ATOM 0 HE2 PHE A 28 9.906 -3.510 1.633 1.00 14.13 H new ATOM 0 HZ PHE A 28 9.280 -4.896 -0.307 1.00 45.24 H new ATOM 485 N GLN A 29 5.477 -3.651 5.731 1.00 4.33 N ATOM 486 CA GLN A 29 6.136 -4.361 6.864 1.00 22.53 C ATOM 487 C GLN A 29 5.212 -5.482 7.409 1.00 40.04 C ATOM 488 O GLN A 29 5.666 -6.581 7.749 1.00 21.14 O ATOM 489 CB GLN A 29 6.496 -3.378 8.022 1.00 21.13 C ATOM 490 CG GLN A 29 7.277 -2.107 7.618 1.00 73.23 C ATOM 491 CD GLN A 29 8.479 -2.370 6.705 1.00 32.35 C ATOM 492 OE1 GLN A 29 9.583 -2.628 7.163 1.00 52.31 O ATOM 493 NE2 GLN A 29 8.273 -2.276 5.403 1.00 60.02 N ATOM 0 H GLN A 29 5.179 -2.701 5.954 1.00 4.33 H new ATOM 0 HA GLN A 29 7.058 -4.799 6.483 1.00 22.53 H new ATOM 0 HB2 GLN A 29 5.572 -3.071 8.511 1.00 21.13 H new ATOM 0 HB3 GLN A 29 7.084 -3.921 8.762 1.00 21.13 H new ATOM 0 HG2 GLN A 29 6.596 -1.421 7.114 1.00 73.23 H new ATOM 0 HG3 GLN A 29 7.624 -1.606 8.521 1.00 73.23 H new ATOM 0 HE21 GLN A 29 7.341 -2.060 5.048 1.00 60.02 H new ATOM 0 HE22 GLN A 29 9.046 -2.420 4.753 1.00 60.02 H new ATOM 502 N LYS A 30 3.908 -5.158 7.489 1.00 20.11 N ATOM 503 CA LYS A 30 2.833 -6.098 7.886 1.00 12.20 C ATOM 504 C LYS A 30 2.729 -7.294 6.899 1.00 33.54 C ATOM 505 O LYS A 30 2.685 -8.461 7.305 1.00 52.44 O ATOM 506 CB LYS A 30 1.491 -5.308 7.935 1.00 52.04 C ATOM 507 CG LYS A 30 0.220 -6.149 8.189 1.00 31.43 C ATOM 508 CD LYS A 30 -1.070 -5.289 8.188 1.00 31.21 C ATOM 509 CE LYS A 30 -2.350 -6.125 8.405 1.00 63.54 C ATOM 510 NZ LYS A 30 -2.330 -6.868 9.696 1.00 10.14 N ATOM 0 H LYS A 30 3.562 -4.222 7.277 1.00 20.11 H new ATOM 0 HA LYS A 30 3.061 -6.516 8.866 1.00 12.20 H new ATOM 0 HB2 LYS A 30 1.565 -4.552 8.717 1.00 52.04 H new ATOM 0 HB3 LYS A 30 1.369 -4.778 6.990 1.00 52.04 H new ATOM 0 HG2 LYS A 30 0.139 -6.920 7.423 1.00 31.43 H new ATOM 0 HG3 LYS A 30 0.312 -6.660 9.147 1.00 31.43 H new ATOM 0 HD2 LYS A 30 -0.998 -4.534 8.971 1.00 31.21 H new ATOM 0 HD3 LYS A 30 -1.146 -4.758 7.239 1.00 31.21 H new ATOM 0 HE2 LYS A 30 -3.219 -5.467 8.381 1.00 63.54 H new ATOM 0 HE3 LYS A 30 -2.463 -6.832 7.583 1.00 63.54 H new ATOM 0 HZ1 LYS A 30 -3.249 -7.332 9.844 1.00 10.14 H new ATOM 0 HZ2 LYS A 30 -1.579 -7.587 9.671 1.00 10.14 H new ATOM 0 HZ3 LYS A 30 -2.148 -6.204 10.476 1.00 10.14 H new ATOM 524 N THR A 31 2.712 -6.965 5.598 1.00 75.04 N ATOM 525 CA THR A 31 2.572 -7.936 4.492 1.00 22.43 C ATOM 526 C THR A 31 3.160 -7.361 3.182 1.00 30.53 C ATOM 527 O THR A 31 2.739 -6.305 2.698 1.00 72.04 O ATOM 528 CB THR A 31 1.077 -8.369 4.257 1.00 52.42 C ATOM 529 OG1 THR A 31 0.978 -9.192 3.076 1.00 30.34 O ATOM 530 CG2 THR A 31 0.108 -7.171 4.139 1.00 75.13 C ATOM 0 H THR A 31 2.796 -6.001 5.275 1.00 75.04 H new ATOM 0 HA THR A 31 3.132 -8.824 4.785 1.00 22.43 H new ATOM 0 HB THR A 31 0.777 -8.936 5.138 1.00 52.42 H new ATOM 0 HG1 THR A 31 0.045 -9.457 2.939 1.00 30.34 H new ATOM 0 HG21 THR A 31 -0.906 -7.538 3.978 1.00 75.13 H new ATOM 0 HG22 THR A 31 0.140 -6.585 5.058 1.00 75.13 H new ATOM 0 HG23 THR A 31 0.405 -6.544 3.298 1.00 75.13 H new ATOM 538 N HIS A 32 4.143 -8.070 2.612 1.00 53.34 N ATOM 539 CA HIS A 32 4.786 -7.673 1.339 1.00 53.24 C ATOM 540 C HIS A 32 3.867 -7.945 0.118 1.00 61.33 C ATOM 541 O HIS A 32 4.130 -7.465 -0.979 1.00 63.24 O ATOM 542 CB HIS A 32 6.148 -8.395 1.198 1.00 41.53 C ATOM 543 CG HIS A 32 7.092 -8.112 2.346 1.00 33.22 C ATOM 544 ND1 HIS A 32 7.367 -9.020 3.344 1.00 64.54 N ATOM 545 CD2 HIS A 32 7.791 -6.999 2.664 1.00 24.11 C ATOM 546 CE1 HIS A 32 8.181 -8.476 4.224 1.00 11.10 C ATOM 547 NE2 HIS A 32 8.459 -7.252 3.833 1.00 63.04 N ATOM 0 H HIS A 32 4.518 -8.930 3.012 1.00 53.34 H new ATOM 0 HA HIS A 32 4.959 -6.597 1.360 1.00 53.24 H new ATOM 0 HB2 HIS A 32 5.978 -9.470 1.132 1.00 41.53 H new ATOM 0 HB3 HIS A 32 6.619 -8.089 0.264 1.00 41.53 H new ATOM 0 HD2 HIS A 32 7.818 -6.079 2.099 1.00 24.11 H new ATOM 0 HE1 HIS A 32 8.557 -8.954 5.116 1.00 11.10 H new ATOM 0 HE2 HIS A 32 9.072 -6.598 4.320 1.00 63.04 H new ATOM 556 N TYR A 33 2.769 -8.698 0.343 1.00 23.25 N ATOM 557 CA TYR A 33 1.737 -8.983 -0.682 1.00 61.05 C ATOM 558 C TYR A 33 0.300 -8.804 -0.087 1.00 0.53 C ATOM 559 O TYR A 33 -0.345 -9.777 0.319 1.00 64.25 O ATOM 560 CB TYR A 33 1.964 -10.400 -1.308 1.00 62.41 C ATOM 561 CG TYR A 33 2.174 -11.560 -0.302 1.00 32.15 C ATOM 562 CD1 TYR A 33 3.424 -11.787 0.293 1.00 54.23 C ATOM 563 CD2 TYR A 33 1.130 -12.430 0.046 1.00 31.31 C ATOM 564 CE1 TYR A 33 3.619 -12.827 1.185 1.00 15.31 C ATOM 565 CE2 TYR A 33 1.326 -13.471 0.937 1.00 22.23 C ATOM 566 CZ TYR A 33 2.569 -13.666 1.505 1.00 24.14 C ATOM 567 OH TYR A 33 2.769 -14.704 2.397 1.00 53.21 O ATOM 0 H TYR A 33 2.571 -9.129 1.246 1.00 23.25 H new ATOM 0 HA TYR A 33 1.829 -8.261 -1.493 1.00 61.05 H new ATOM 0 HB2 TYR A 33 1.106 -10.640 -1.935 1.00 62.41 H new ATOM 0 HB3 TYR A 33 2.834 -10.351 -1.963 1.00 62.41 H new ATOM 0 HD1 TYR A 33 4.251 -11.137 0.050 1.00 54.23 H new ATOM 0 HD2 TYR A 33 0.153 -12.285 -0.390 1.00 31.31 H new ATOM 0 HE1 TYR A 33 4.591 -12.983 1.630 1.00 15.31 H new ATOM 0 HE2 TYR A 33 0.508 -14.130 1.187 1.00 22.23 H new ATOM 0 HH TYR A 33 1.932 -15.199 2.515 1.00 53.21 H new ATOM 577 N PRO A 34 -0.205 -7.530 0.038 1.00 43.12 N ATOM 578 CA PRO A 34 -1.561 -7.252 0.594 1.00 71.10 C ATOM 579 C PRO A 34 -2.734 -7.697 -0.339 1.00 33.40 C ATOM 580 O PRO A 34 -2.821 -7.288 -1.506 1.00 24.11 O ATOM 581 CB PRO A 34 -1.547 -5.714 0.817 1.00 62.33 C ATOM 582 CG PRO A 34 -0.542 -5.191 -0.159 1.00 55.52 C ATOM 583 CD PRO A 34 0.514 -6.272 -0.305 1.00 63.52 C ATOM 0 HA PRO A 34 -1.746 -7.823 1.504 1.00 71.10 H new ATOM 0 HB2 PRO A 34 -2.531 -5.281 0.640 1.00 62.33 H new ATOM 0 HB3 PRO A 34 -1.269 -5.466 1.841 1.00 62.33 H new ATOM 0 HG2 PRO A 34 -1.010 -4.972 -1.119 1.00 55.52 H new ATOM 0 HG3 PRO A 34 -0.100 -4.261 0.199 1.00 55.52 H new ATOM 0 HD2 PRO A 34 0.914 -6.305 -1.319 1.00 63.52 H new ATOM 0 HD3 PRO A 34 1.357 -6.099 0.364 1.00 63.52 H new ATOM 591 N ASP A 35 -3.623 -8.547 0.212 1.00 53.24 N ATOM 592 CA ASP A 35 -4.846 -9.054 -0.472 1.00 74.53 C ATOM 593 C ASP A 35 -5.995 -8.010 -0.438 1.00 4.44 C ATOM 594 O ASP A 35 -5.800 -6.905 0.061 1.00 42.42 O ATOM 595 CB ASP A 35 -5.291 -10.366 0.222 1.00 44.01 C ATOM 596 CG ASP A 35 -5.614 -10.155 1.712 1.00 63.42 C ATOM 597 OD1 ASP A 35 -4.677 -10.175 2.540 1.00 62.41 O ATOM 598 OD2 ASP A 35 -6.801 -9.933 2.057 1.00 75.22 O ATOM 0 H ASP A 35 -3.517 -8.911 1.159 1.00 53.24 H new ATOM 0 HA ASP A 35 -4.613 -9.241 -1.520 1.00 74.53 H new ATOM 0 HB2 ASP A 35 -6.170 -10.764 -0.286 1.00 44.01 H new ATOM 0 HB3 ASP A 35 -4.502 -11.112 0.125 1.00 44.01 H new ATOM 603 N VAL A 36 -7.205 -8.406 -0.916 1.00 63.33 N ATOM 604 CA VAL A 36 -8.395 -7.507 -1.003 1.00 20.55 C ATOM 605 C VAL A 36 -8.672 -6.733 0.318 1.00 41.22 C ATOM 606 O VAL A 36 -8.815 -5.515 0.301 1.00 44.24 O ATOM 607 CB VAL A 36 -9.696 -8.294 -1.449 1.00 31.35 C ATOM 608 CG1 VAL A 36 -10.118 -9.383 -0.420 1.00 40.25 C ATOM 609 CG2 VAL A 36 -10.872 -7.322 -1.742 1.00 72.12 C ATOM 0 H VAL A 36 -7.386 -9.352 -1.251 1.00 63.33 H new ATOM 0 HA VAL A 36 -8.147 -6.772 -1.769 1.00 20.55 H new ATOM 0 HB VAL A 36 -9.442 -8.812 -2.374 1.00 31.35 H new ATOM 0 HG11 VAL A 36 -11.014 -9.891 -0.775 1.00 40.25 H new ATOM 0 HG12 VAL A 36 -9.312 -10.107 -0.305 1.00 40.25 H new ATOM 0 HG13 VAL A 36 -10.324 -8.914 0.542 1.00 40.25 H new ATOM 0 HG21 VAL A 36 -11.749 -7.893 -2.045 1.00 72.12 H new ATOM 0 HG22 VAL A 36 -11.104 -6.750 -0.843 1.00 72.12 H new ATOM 0 HG23 VAL A 36 -10.589 -6.639 -2.543 1.00 72.12 H new ATOM 619 N TYR A 37 -8.653 -7.451 1.453 1.00 45.25 N ATOM 620 CA TYR A 37 -8.986 -6.892 2.780 1.00 30.15 C ATOM 621 C TYR A 37 -7.902 -5.896 3.257 1.00 40.52 C ATOM 622 O TYR A 37 -8.216 -4.818 3.778 1.00 30.13 O ATOM 623 CB TYR A 37 -9.176 -8.057 3.789 1.00 35.33 C ATOM 624 CG TYR A 37 -9.527 -7.615 5.217 1.00 71.43 C ATOM 625 CD1 TYR A 37 -10.723 -6.944 5.480 1.00 54.52 C ATOM 626 CD2 TYR A 37 -8.659 -7.848 6.288 1.00 21.42 C ATOM 627 CE1 TYR A 37 -11.040 -6.531 6.763 1.00 63.23 C ATOM 628 CE2 TYR A 37 -8.970 -7.438 7.569 1.00 42.44 C ATOM 629 CZ TYR A 37 -10.159 -6.779 7.804 1.00 53.33 C ATOM 630 OH TYR A 37 -10.468 -6.361 9.087 1.00 24.30 O ATOM 0 H TYR A 37 -8.406 -8.440 1.479 1.00 45.25 H new ATOM 0 HA TYR A 37 -9.917 -6.330 2.710 1.00 30.15 H new ATOM 0 HB2 TYR A 37 -9.965 -8.713 3.422 1.00 35.33 H new ATOM 0 HB3 TYR A 37 -8.260 -8.646 3.820 1.00 35.33 H new ATOM 0 HD1 TYR A 37 -11.410 -6.744 4.671 1.00 54.52 H new ATOM 0 HD2 TYR A 37 -7.725 -8.360 6.109 1.00 21.42 H new ATOM 0 HE1 TYR A 37 -11.971 -6.017 6.952 1.00 63.23 H new ATOM 0 HE2 TYR A 37 -8.287 -7.632 8.382 1.00 42.44 H new ATOM 0 HH TYR A 37 -9.744 -6.615 9.697 1.00 24.30 H new ATOM 640 N ALA A 38 -6.628 -6.266 3.045 1.00 61.13 N ATOM 641 CA ALA A 38 -5.470 -5.407 3.388 1.00 24.42 C ATOM 642 C ALA A 38 -5.389 -4.154 2.469 1.00 53.44 C ATOM 643 O ALA A 38 -4.859 -3.116 2.873 1.00 0.20 O ATOM 644 CB ALA A 38 -4.174 -6.227 3.323 1.00 50.41 C ATOM 0 H ALA A 38 -6.367 -7.162 2.634 1.00 61.13 H new ATOM 0 HA ALA A 38 -5.606 -5.043 4.407 1.00 24.42 H new ATOM 0 HB1 ALA A 38 -3.327 -5.589 3.576 1.00 50.41 H new ATOM 0 HB2 ALA A 38 -4.231 -7.054 4.031 1.00 50.41 H new ATOM 0 HB3 ALA A 38 -4.043 -6.621 2.315 1.00 50.41 H new ATOM 650 N ARG A 39 -5.921 -4.271 1.234 1.00 42.13 N ATOM 651 CA ARG A 39 -6.030 -3.140 0.283 1.00 23.02 C ATOM 652 C ARG A 39 -7.156 -2.165 0.712 1.00 53.14 C ATOM 653 O ARG A 39 -6.976 -0.955 0.648 1.00 72.31 O ATOM 654 CB ARG A 39 -6.315 -3.649 -1.154 1.00 3.42 C ATOM 655 CG ARG A 39 -5.194 -4.490 -1.806 1.00 24.24 C ATOM 656 CD ARG A 39 -3.898 -3.708 -2.063 1.00 21.24 C ATOM 657 NE ARG A 39 -2.916 -4.526 -2.810 1.00 60.44 N ATOM 658 CZ ARG A 39 -1.804 -4.083 -3.351 1.00 33.12 C ATOM 659 NH1 ARG A 39 -1.442 -2.852 -3.215 1.00 13.35 N ATOM 660 NH2 ARG A 39 -1.048 -4.891 -4.018 1.00 12.14 N ATOM 0 H ARG A 39 -6.287 -5.149 0.867 1.00 42.13 H new ATOM 0 HA ARG A 39 -5.076 -2.613 0.292 1.00 23.02 H new ATOM 0 HB2 ARG A 39 -7.226 -4.247 -1.133 1.00 3.42 H new ATOM 0 HB3 ARG A 39 -6.514 -2.787 -1.791 1.00 3.42 H new ATOM 0 HG2 ARG A 39 -4.971 -5.341 -1.163 1.00 24.24 H new ATOM 0 HG3 ARG A 39 -5.558 -4.892 -2.752 1.00 24.24 H new ATOM 0 HD2 ARG A 39 -4.123 -2.802 -2.626 1.00 21.24 H new ATOM 0 HD3 ARG A 39 -3.466 -3.394 -1.113 1.00 21.24 H new ATOM 0 HE ARG A 39 -3.121 -5.520 -2.914 1.00 60.44 H new ATOM 0 HH11 ARG A 39 -2.023 -2.206 -2.680 1.00 13.35 H new ATOM 0 HH12 ARG A 39 -0.575 -2.525 -3.642 1.00 13.35 H new ATOM 0 HH21 ARG A 39 -1.315 -5.870 -4.123 1.00 12.14 H new ATOM 0 HH22 ARG A 39 -0.184 -4.550 -4.439 1.00 12.14 H new ATOM 674 N GLU A 40 -8.316 -2.725 1.134 1.00 25.13 N ATOM 675 CA GLU A 40 -9.506 -1.937 1.562 1.00 61.45 C ATOM 676 C GLU A 40 -9.184 -1.037 2.777 1.00 23.55 C ATOM 677 O GLU A 40 -9.451 0.171 2.761 1.00 75.22 O ATOM 678 CB GLU A 40 -10.697 -2.879 1.910 1.00 35.40 C ATOM 679 CG GLU A 40 -11.303 -3.639 0.714 1.00 14.01 C ATOM 680 CD GLU A 40 -12.410 -4.628 1.130 1.00 75.42 C ATOM 681 OE1 GLU A 40 -13.571 -4.194 1.313 1.00 3.33 O ATOM 682 OE2 GLU A 40 -12.125 -5.833 1.297 1.00 32.04 O ATOM 0 H GLU A 40 -8.456 -3.734 1.188 1.00 25.13 H new ATOM 0 HA GLU A 40 -9.787 -1.298 0.725 1.00 61.45 H new ATOM 0 HB2 GLU A 40 -10.361 -3.606 2.649 1.00 35.40 H new ATOM 0 HB3 GLU A 40 -11.483 -2.287 2.380 1.00 35.40 H new ATOM 0 HG2 GLU A 40 -11.713 -2.921 0.004 1.00 14.01 H new ATOM 0 HG3 GLU A 40 -10.512 -4.183 0.197 1.00 14.01 H new ATOM 689 N GLN A 41 -8.601 -1.652 3.820 1.00 41.23 N ATOM 690 CA GLN A 41 -8.203 -0.946 5.055 1.00 1.33 C ATOM 691 C GLN A 41 -7.178 0.173 4.754 1.00 65.32 C ATOM 692 O GLN A 41 -7.391 1.327 5.132 1.00 32.23 O ATOM 693 CB GLN A 41 -7.642 -1.957 6.096 1.00 42.12 C ATOM 694 CG GLN A 41 -8.648 -3.047 6.549 1.00 62.31 C ATOM 695 CD GLN A 41 -9.826 -2.533 7.405 1.00 62.44 C ATOM 696 OE1 GLN A 41 -10.265 -1.393 7.294 1.00 11.13 O ATOM 697 NE2 GLN A 41 -10.361 -3.382 8.259 1.00 11.23 N ATOM 0 H GLN A 41 -8.392 -2.650 3.833 1.00 41.23 H new ATOM 0 HA GLN A 41 -9.088 -0.471 5.479 1.00 1.33 H new ATOM 0 HB2 GLN A 41 -6.765 -2.445 5.672 1.00 42.12 H new ATOM 0 HB3 GLN A 41 -7.306 -1.405 6.974 1.00 42.12 H new ATOM 0 HG2 GLN A 41 -9.050 -3.540 5.664 1.00 62.31 H new ATOM 0 HG3 GLN A 41 -8.108 -3.804 7.118 1.00 62.31 H new ATOM 0 HE21 GLN A 41 -9.986 -4.327 8.341 1.00 11.23 H new ATOM 0 HE22 GLN A 41 -11.150 -3.094 8.838 1.00 11.23 H new ATOM 706 N LEU A 42 -6.106 -0.181 4.021 1.00 42.14 N ATOM 707 CA LEU A 42 -5.024 0.762 3.639 1.00 63.14 C ATOM 708 C LEU A 42 -5.541 1.917 2.735 1.00 44.31 C ATOM 709 O LEU A 42 -5.076 3.053 2.855 1.00 52.42 O ATOM 710 CB LEU A 42 -3.881 -0.029 2.944 1.00 53.02 C ATOM 711 CG LEU A 42 -2.633 0.782 2.467 1.00 32.01 C ATOM 712 CD1 LEU A 42 -2.042 1.645 3.601 1.00 51.12 C ATOM 713 CD2 LEU A 42 -1.562 -0.165 1.877 1.00 15.50 C ATOM 0 H LEU A 42 -5.960 -1.129 3.674 1.00 42.14 H new ATOM 0 HA LEU A 42 -4.642 1.233 4.545 1.00 63.14 H new ATOM 0 HB2 LEU A 42 -3.538 -0.801 3.633 1.00 53.02 H new ATOM 0 HB3 LEU A 42 -4.303 -0.539 2.078 1.00 53.02 H new ATOM 0 HG LEU A 42 -2.963 1.463 1.682 1.00 32.01 H new ATOM 0 HD11 LEU A 42 -1.176 2.193 3.228 1.00 51.12 H new ATOM 0 HD12 LEU A 42 -2.795 2.351 3.951 1.00 51.12 H new ATOM 0 HD13 LEU A 42 -1.736 1.002 4.426 1.00 51.12 H new ATOM 0 HD21 LEU A 42 -0.701 0.418 1.550 1.00 15.50 H new ATOM 0 HD22 LEU A 42 -1.249 -0.879 2.638 1.00 15.50 H new ATOM 0 HD23 LEU A 42 -1.980 -0.702 1.026 1.00 15.50 H new ATOM 725 N ALA A 43 -6.516 1.615 1.858 1.00 53.43 N ATOM 726 CA ALA A 43 -7.144 2.620 0.963 1.00 1.32 C ATOM 727 C ALA A 43 -7.891 3.703 1.776 1.00 14.35 C ATOM 728 O ALA A 43 -7.782 4.897 1.492 1.00 51.43 O ATOM 729 CB ALA A 43 -8.100 1.932 -0.028 1.00 3.32 C ATOM 0 H ALA A 43 -6.893 0.674 1.746 1.00 53.43 H new ATOM 0 HA ALA A 43 -6.352 3.113 0.399 1.00 1.32 H new ATOM 0 HB1 ALA A 43 -8.552 2.682 -0.677 1.00 3.32 H new ATOM 0 HB2 ALA A 43 -7.543 1.216 -0.633 1.00 3.32 H new ATOM 0 HB3 ALA A 43 -8.882 1.410 0.524 1.00 3.32 H new ATOM 735 N MET A 44 -8.642 3.257 2.802 1.00 32.00 N ATOM 736 CA MET A 44 -9.399 4.153 3.710 1.00 24.32 C ATOM 737 C MET A 44 -8.455 4.945 4.657 1.00 32.32 C ATOM 738 O MET A 44 -8.782 6.063 5.065 1.00 63.20 O ATOM 739 CB MET A 44 -10.429 3.338 4.533 1.00 5.42 C ATOM 740 CG MET A 44 -11.479 2.604 3.693 1.00 75.45 C ATOM 741 SD MET A 44 -12.656 1.684 4.714 1.00 0.41 S ATOM 742 CE MET A 44 -13.651 0.857 3.470 1.00 31.11 C ATOM 0 H MET A 44 -8.743 2.267 3.028 1.00 32.00 H new ATOM 0 HA MET A 44 -9.929 4.878 3.092 1.00 24.32 H new ATOM 0 HB2 MET A 44 -9.893 2.608 5.140 1.00 5.42 H new ATOM 0 HB3 MET A 44 -10.939 4.012 5.221 1.00 5.42 H new ATOM 0 HG2 MET A 44 -12.020 3.325 3.080 1.00 75.45 H new ATOM 0 HG3 MET A 44 -10.979 1.917 3.010 1.00 75.45 H new ATOM 0 HE1 MET A 44 -14.417 0.254 3.958 1.00 31.11 H new ATOM 0 HE2 MET A 44 -14.127 1.601 2.831 1.00 31.11 H new ATOM 0 HE3 MET A 44 -13.014 0.213 2.864 1.00 31.11 H new ATOM 752 N ARG A 45 -7.294 4.345 5.008 1.00 52.23 N ATOM 753 CA ARG A 45 -6.240 5.026 5.804 1.00 64.23 C ATOM 754 C ARG A 45 -5.611 6.195 5.003 1.00 14.52 C ATOM 755 O ARG A 45 -5.432 7.292 5.526 1.00 64.02 O ATOM 756 CB ARG A 45 -5.121 4.021 6.226 1.00 71.33 C ATOM 757 CG ARG A 45 -5.578 2.886 7.176 1.00 3.32 C ATOM 758 CD ARG A 45 -6.038 3.385 8.563 1.00 61.44 C ATOM 759 NE ARG A 45 -6.569 2.286 9.402 1.00 60.00 N ATOM 760 CZ ARG A 45 -5.941 1.710 10.414 1.00 62.14 C ATOM 761 NH1 ARG A 45 -4.733 2.061 10.754 1.00 2.21 N ATOM 762 NH2 ARG A 45 -6.528 0.766 11.082 1.00 71.02 N ATOM 0 H ARG A 45 -7.060 3.386 4.752 1.00 52.23 H new ATOM 0 HA ARG A 45 -6.713 5.425 6.701 1.00 64.23 H new ATOM 0 HB2 ARG A 45 -4.700 3.572 5.326 1.00 71.33 H new ATOM 0 HB3 ARG A 45 -4.319 4.578 6.710 1.00 71.33 H new ATOM 0 HG2 ARG A 45 -6.396 2.339 6.707 1.00 3.32 H new ATOM 0 HG3 ARG A 45 -4.757 2.181 7.307 1.00 3.32 H new ATOM 0 HD2 ARG A 45 -5.200 3.858 9.074 1.00 61.44 H new ATOM 0 HD3 ARG A 45 -6.806 4.148 8.437 1.00 61.44 H new ATOM 0 HE ARG A 45 -7.503 1.942 9.179 1.00 60.00 H new ATOM 0 HH11 ARG A 45 -4.250 2.795 10.236 1.00 2.21 H new ATOM 0 HH12 ARG A 45 -4.270 1.602 11.538 1.00 2.21 H new ATOM 0 HH21 ARG A 45 -7.470 0.470 10.826 1.00 71.02 H new ATOM 0 HH22 ARG A 45 -6.047 0.319 11.863 1.00 71.02 H new ATOM 776 N THR A 46 -5.314 5.938 3.716 1.00 41.24 N ATOM 777 CA THR A 46 -4.549 6.872 2.846 1.00 2.15 C ATOM 778 C THR A 46 -5.437 7.824 2.002 1.00 73.43 C ATOM 779 O THR A 46 -4.905 8.777 1.433 1.00 61.14 O ATOM 780 CB THR A 46 -3.633 6.078 1.858 1.00 61.43 C ATOM 781 OG1 THR A 46 -4.432 5.188 1.056 1.00 55.11 O ATOM 782 CG2 THR A 46 -2.549 5.276 2.587 1.00 40.11 C ATOM 0 H THR A 46 -5.594 5.079 3.243 1.00 41.24 H new ATOM 0 HA THR A 46 -3.965 7.481 3.536 1.00 2.15 H new ATOM 0 HB THR A 46 -3.133 6.809 1.223 1.00 61.43 H new ATOM 0 HG1 THR A 46 -4.702 4.415 1.595 1.00 55.11 H new ATOM 0 HG21 THR A 46 -1.939 4.742 1.858 1.00 40.11 H new ATOM 0 HG22 THR A 46 -1.918 5.955 3.160 1.00 40.11 H new ATOM 0 HG23 THR A 46 -3.018 4.560 3.262 1.00 40.11 H new ATOM 790 N ASP A 47 -6.759 7.533 1.903 1.00 74.14 N ATOM 791 CA ASP A 47 -7.714 8.229 0.975 1.00 2.42 C ATOM 792 C ASP A 47 -7.499 7.783 -0.522 1.00 73.42 C ATOM 793 O ASP A 47 -8.195 8.248 -1.436 1.00 71.52 O ATOM 794 CB ASP A 47 -7.661 9.792 1.166 1.00 0.44 C ATOM 795 CG ASP A 47 -8.579 10.601 0.221 1.00 11.22 C ATOM 796 OD1 ASP A 47 -9.809 10.590 0.414 1.00 54.23 O ATOM 797 OD2 ASP A 47 -8.067 11.252 -0.724 1.00 11.22 O ATOM 0 H ASP A 47 -7.204 6.806 2.464 1.00 74.14 H new ATOM 0 HA ASP A 47 -8.725 7.920 1.239 1.00 2.42 H new ATOM 0 HB2 ASP A 47 -7.930 10.026 2.196 1.00 0.44 H new ATOM 0 HB3 ASP A 47 -6.633 10.125 1.022 1.00 0.44 H new ATOM 802 N LEU A 48 -6.593 6.808 -0.751 1.00 34.02 N ATOM 803 CA LEU A 48 -6.229 6.336 -2.115 1.00 12.12 C ATOM 804 C LEU A 48 -7.188 5.246 -2.631 1.00 21.24 C ATOM 805 O LEU A 48 -7.951 4.646 -1.875 1.00 32.13 O ATOM 806 CB LEU A 48 -4.778 5.774 -2.123 1.00 31.45 C ATOM 807 CG LEU A 48 -3.627 6.809 -1.954 1.00 4.03 C ATOM 808 CD1 LEU A 48 -2.272 6.100 -1.719 1.00 55.25 C ATOM 809 CD2 LEU A 48 -3.559 7.765 -3.171 1.00 72.24 C ATOM 0 H LEU A 48 -6.093 6.325 -0.004 1.00 34.02 H new ATOM 0 HA LEU A 48 -6.304 7.199 -2.777 1.00 12.12 H new ATOM 0 HB2 LEU A 48 -4.694 5.038 -1.324 1.00 31.45 H new ATOM 0 HB3 LEU A 48 -4.624 5.244 -3.063 1.00 31.45 H new ATOM 0 HG LEU A 48 -3.842 7.411 -1.071 1.00 4.03 H new ATOM 0 HD11 LEU A 48 -1.486 6.846 -1.604 1.00 55.25 H new ATOM 0 HD12 LEU A 48 -2.331 5.493 -0.815 1.00 55.25 H new ATOM 0 HD13 LEU A 48 -2.043 5.460 -2.571 1.00 55.25 H new ATOM 0 HD21 LEU A 48 -2.747 8.478 -3.029 1.00 72.24 H new ATOM 0 HD22 LEU A 48 -3.380 7.187 -4.078 1.00 72.24 H new ATOM 0 HD23 LEU A 48 -4.502 8.303 -3.264 1.00 72.24 H new ATOM 821 N THR A 49 -7.124 5.015 -3.952 1.00 52.01 N ATOM 822 CA THR A 49 -7.823 3.906 -4.627 1.00 70.11 C ATOM 823 C THR A 49 -6.906 2.666 -4.687 1.00 42.31 C ATOM 824 O THR A 49 -5.678 2.811 -4.740 1.00 32.01 O ATOM 825 CB THR A 49 -8.241 4.327 -6.078 1.00 51.10 C ATOM 826 OG1 THR A 49 -8.897 5.608 -6.042 1.00 11.44 O ATOM 827 CG2 THR A 49 -9.182 3.299 -6.739 1.00 55.33 C ATOM 0 H THR A 49 -6.581 5.598 -4.589 1.00 52.01 H new ATOM 0 HA THR A 49 -8.721 3.663 -4.059 1.00 70.11 H new ATOM 0 HB THR A 49 -7.330 4.379 -6.674 1.00 51.10 H new ATOM 0 HG1 THR A 49 -9.155 5.869 -6.951 1.00 11.44 H new ATOM 0 HG21 THR A 49 -9.442 3.637 -7.742 1.00 55.33 H new ATOM 0 HG22 THR A 49 -8.680 2.333 -6.800 1.00 55.33 H new ATOM 0 HG23 THR A 49 -10.089 3.200 -6.143 1.00 55.33 H new ATOM 835 N GLU A 50 -7.509 1.460 -4.701 1.00 64.43 N ATOM 836 CA GLU A 50 -6.766 0.171 -4.746 1.00 31.01 C ATOM 837 C GLU A 50 -5.750 0.145 -5.921 1.00 40.45 C ATOM 838 O GLU A 50 -4.659 -0.382 -5.772 1.00 72.22 O ATOM 839 CB GLU A 50 -7.787 -1.008 -4.844 1.00 71.21 C ATOM 840 CG GLU A 50 -7.250 -2.447 -4.562 1.00 42.43 C ATOM 841 CD GLU A 50 -6.384 -3.074 -5.678 1.00 52.43 C ATOM 842 OE1 GLU A 50 -6.838 -3.104 -6.843 1.00 71.23 O ATOM 843 OE2 GLU A 50 -5.257 -3.553 -5.391 1.00 21.00 O ATOM 0 H GLU A 50 -8.522 1.345 -4.682 1.00 64.43 H new ATOM 0 HA GLU A 50 -6.187 0.061 -3.829 1.00 31.01 H new ATOM 0 HB2 GLU A 50 -8.600 -0.809 -4.146 1.00 71.21 H new ATOM 0 HB3 GLU A 50 -8.217 -0.999 -5.845 1.00 71.21 H new ATOM 0 HG2 GLU A 50 -6.663 -2.422 -3.644 1.00 42.43 H new ATOM 0 HG3 GLU A 50 -8.101 -3.102 -4.378 1.00 42.43 H new ATOM 850 N ALA A 51 -6.130 0.747 -7.065 1.00 30.21 N ATOM 851 CA ALA A 51 -5.246 0.887 -8.253 1.00 52.22 C ATOM 852 C ALA A 51 -3.912 1.618 -7.921 1.00 41.22 C ATOM 853 O ALA A 51 -2.831 1.125 -8.251 1.00 0.20 O ATOM 854 CB ALA A 51 -5.999 1.623 -9.368 1.00 5.43 C ATOM 0 H ALA A 51 -7.057 1.152 -7.198 1.00 30.21 H new ATOM 0 HA ALA A 51 -4.978 -0.115 -8.587 1.00 52.22 H new ATOM 0 HB1 ALA A 51 -5.351 1.725 -10.238 1.00 5.43 H new ATOM 0 HB2 ALA A 51 -6.888 1.056 -9.642 1.00 5.43 H new ATOM 0 HB3 ALA A 51 -6.294 2.612 -9.017 1.00 5.43 H new ATOM 860 N ARG A 52 -4.009 2.788 -7.254 1.00 14.32 N ATOM 861 CA ARG A 52 -2.819 3.596 -6.852 1.00 50.01 C ATOM 862 C ARG A 52 -1.940 2.831 -5.831 1.00 44.42 C ATOM 863 O ARG A 52 -0.705 2.838 -5.922 1.00 74.01 O ATOM 864 CB ARG A 52 -3.255 4.984 -6.279 1.00 11.40 C ATOM 865 CG ARG A 52 -3.542 6.081 -7.335 1.00 42.33 C ATOM 866 CD ARG A 52 -4.725 5.760 -8.266 1.00 23.24 C ATOM 867 NE ARG A 52 -4.921 6.811 -9.286 1.00 24.41 N ATOM 868 CZ ARG A 52 -6.067 7.381 -9.602 1.00 62.22 C ATOM 869 NH1 ARG A 52 -7.173 7.074 -8.992 1.00 73.02 N ATOM 870 NH2 ARG A 52 -6.094 8.283 -10.525 1.00 63.01 N ATOM 0 H ARG A 52 -4.899 3.202 -6.978 1.00 14.32 H new ATOM 0 HA ARG A 52 -2.219 3.770 -7.745 1.00 50.01 H new ATOM 0 HB2 ARG A 52 -4.151 4.843 -5.675 1.00 11.40 H new ATOM 0 HB3 ARG A 52 -2.473 5.344 -5.610 1.00 11.40 H new ATOM 0 HG2 ARG A 52 -3.742 7.022 -6.822 1.00 42.33 H new ATOM 0 HG3 ARG A 52 -2.648 6.232 -7.940 1.00 42.33 H new ATOM 0 HD2 ARG A 52 -4.551 4.803 -8.759 1.00 23.24 H new ATOM 0 HD3 ARG A 52 -5.634 5.653 -7.675 1.00 23.24 H new ATOM 0 HE ARG A 52 -4.093 7.125 -9.792 1.00 24.41 H new ATOM 0 HH11 ARG A 52 -7.168 6.376 -8.248 1.00 73.02 H new ATOM 0 HH12 ARG A 52 -8.045 7.531 -9.257 1.00 73.02 H new ATOM 0 HH21 ARG A 52 -5.233 8.549 -11.003 1.00 63.01 H new ATOM 0 HH22 ARG A 52 -6.976 8.729 -10.776 1.00 63.01 H new ATOM 884 N VAL A 53 -2.607 2.168 -4.873 1.00 43.43 N ATOM 885 CA VAL A 53 -1.946 1.325 -3.847 1.00 4.14 C ATOM 886 C VAL A 53 -1.233 0.106 -4.505 1.00 1.24 C ATOM 887 O VAL A 53 -0.140 -0.287 -4.097 1.00 63.41 O ATOM 888 CB VAL A 53 -3.003 0.835 -2.778 1.00 63.21 C ATOM 889 CG1 VAL A 53 -2.352 -0.045 -1.684 1.00 53.14 C ATOM 890 CG2 VAL A 53 -3.747 2.036 -2.138 1.00 64.31 C ATOM 0 H VAL A 53 -3.623 2.197 -4.782 1.00 43.43 H new ATOM 0 HA VAL A 53 -1.191 1.928 -3.343 1.00 4.14 H new ATOM 0 HB VAL A 53 -3.730 0.220 -3.307 1.00 63.21 H new ATOM 0 HG11 VAL A 53 -3.113 -0.360 -0.970 1.00 53.14 H new ATOM 0 HG12 VAL A 53 -1.901 -0.924 -2.145 1.00 53.14 H new ATOM 0 HG13 VAL A 53 -1.583 0.528 -1.166 1.00 53.14 H new ATOM 0 HG21 VAL A 53 -4.468 1.670 -1.407 1.00 64.31 H new ATOM 0 HG22 VAL A 53 -3.027 2.688 -1.643 1.00 64.31 H new ATOM 0 HG23 VAL A 53 -4.270 2.595 -2.914 1.00 64.31 H new ATOM 900 N GLN A 54 -1.868 -0.450 -5.554 1.00 62.22 N ATOM 901 CA GLN A 54 -1.386 -1.653 -6.280 1.00 61.20 C ATOM 902 C GLN A 54 -0.047 -1.338 -6.988 1.00 64.13 C ATOM 903 O GLN A 54 0.951 -2.042 -6.789 1.00 4.31 O ATOM 904 CB GLN A 54 -2.477 -2.132 -7.304 1.00 34.34 C ATOM 905 CG GLN A 54 -2.507 -3.648 -7.638 1.00 42.23 C ATOM 906 CD GLN A 54 -1.246 -4.193 -8.313 1.00 21.44 C ATOM 907 OE1 GLN A 54 -1.102 -4.139 -9.532 1.00 3.24 O ATOM 908 NE2 GLN A 54 -0.350 -4.767 -7.536 1.00 42.44 N ATOM 0 H GLN A 54 -2.740 -0.077 -5.930 1.00 62.22 H new ATOM 0 HA GLN A 54 -1.211 -2.462 -5.571 1.00 61.20 H new ATOM 0 HB2 GLN A 54 -3.455 -1.851 -6.914 1.00 34.34 H new ATOM 0 HB3 GLN A 54 -2.334 -1.582 -8.234 1.00 34.34 H new ATOM 0 HG2 GLN A 54 -2.674 -4.203 -6.715 1.00 42.23 H new ATOM 0 HG3 GLN A 54 -3.360 -3.844 -8.287 1.00 42.23 H new ATOM 0 HE21 GLN A 54 -0.495 -4.798 -6.527 1.00 42.44 H new ATOM 0 HE22 GLN A 54 0.489 -5.181 -7.944 1.00 42.44 H new ATOM 917 N VAL A 55 -0.056 -0.247 -7.782 1.00 23.13 N ATOM 918 CA VAL A 55 1.128 0.234 -8.536 1.00 0.42 C ATOM 919 C VAL A 55 2.321 0.539 -7.595 1.00 61.15 C ATOM 920 O VAL A 55 3.467 0.215 -7.925 1.00 0.14 O ATOM 921 CB VAL A 55 0.781 1.508 -9.397 1.00 71.53 C ATOM 922 CG1 VAL A 55 2.022 2.044 -10.161 1.00 34.34 C ATOM 923 CG2 VAL A 55 -0.379 1.211 -10.380 1.00 63.11 C ATOM 0 H VAL A 55 -0.886 0.329 -7.921 1.00 23.13 H new ATOM 0 HA VAL A 55 1.422 -0.571 -9.209 1.00 0.42 H new ATOM 0 HB VAL A 55 0.459 2.287 -8.706 1.00 71.53 H new ATOM 0 HG11 VAL A 55 1.740 2.922 -10.742 1.00 34.34 H new ATOM 0 HG12 VAL A 55 2.800 2.316 -9.447 1.00 34.34 H new ATOM 0 HG13 VAL A 55 2.399 1.271 -10.831 1.00 34.34 H new ATOM 0 HG21 VAL A 55 -0.600 2.105 -10.963 1.00 63.11 H new ATOM 0 HG22 VAL A 55 -0.089 0.403 -11.051 1.00 63.11 H new ATOM 0 HG23 VAL A 55 -1.265 0.916 -9.818 1.00 63.11 H new ATOM 933 N TRP A 56 2.033 1.138 -6.417 1.00 52.55 N ATOM 934 CA TRP A 56 3.073 1.445 -5.405 1.00 5.40 C ATOM 935 C TRP A 56 3.839 0.162 -4.992 1.00 12.34 C ATOM 936 O TRP A 56 5.072 0.128 -5.031 1.00 1.13 O ATOM 937 CB TRP A 56 2.461 2.128 -4.149 1.00 74.24 C ATOM 938 CG TRP A 56 3.508 2.628 -3.167 1.00 65.34 C ATOM 939 CD1 TRP A 56 4.122 3.850 -3.178 1.00 22.24 C ATOM 940 CD2 TRP A 56 4.084 1.911 -2.055 1.00 11.23 C ATOM 941 NE1 TRP A 56 5.019 3.940 -2.148 1.00 31.24 N ATOM 942 CE2 TRP A 56 5.016 2.768 -1.449 1.00 75.33 C ATOM 943 CE3 TRP A 56 3.896 0.636 -1.513 1.00 40.01 C ATOM 944 CZ2 TRP A 56 5.760 2.397 -0.341 1.00 3.21 C ATOM 945 CZ3 TRP A 56 4.639 0.265 -0.412 1.00 53.34 C ATOM 946 CH2 TRP A 56 5.560 1.145 0.166 1.00 24.34 C ATOM 0 H TRP A 56 1.091 1.418 -6.143 1.00 52.55 H new ATOM 0 HA TRP A 56 3.775 2.141 -5.863 1.00 5.40 H new ATOM 0 HB2 TRP A 56 1.840 2.966 -4.466 1.00 74.24 H new ATOM 0 HB3 TRP A 56 1.806 1.420 -3.642 1.00 74.24 H new ATOM 0 HD1 TRP A 56 3.927 4.632 -3.897 1.00 22.24 H new ATOM 0 HE1 TRP A 56 5.597 4.753 -1.937 1.00 31.24 H new ATOM 0 HE3 TRP A 56 3.181 -0.046 -1.949 1.00 40.01 H new ATOM 0 HZ2 TRP A 56 6.473 3.074 0.106 1.00 3.21 H new ATOM 0 HZ3 TRP A 56 4.508 -0.720 0.011 1.00 53.34 H new ATOM 0 HH2 TRP A 56 6.124 0.828 1.031 1.00 24.34 H new ATOM 957 N PHE A 57 3.082 -0.888 -4.611 1.00 45.32 N ATOM 958 CA PHE A 57 3.655 -2.194 -4.212 1.00 71.31 C ATOM 959 C PHE A 57 4.385 -2.902 -5.388 1.00 42.13 C ATOM 960 O PHE A 57 5.322 -3.654 -5.150 1.00 10.21 O ATOM 961 CB PHE A 57 2.565 -3.117 -3.579 1.00 23.21 C ATOM 962 CG PHE A 57 2.234 -2.774 -2.121 1.00 43.21 C ATOM 963 CD1 PHE A 57 2.955 -3.349 -1.077 1.00 55.25 C ATOM 964 CD2 PHE A 57 1.221 -1.874 -1.795 1.00 55.23 C ATOM 965 CE1 PHE A 57 2.675 -3.032 0.239 1.00 61.43 C ATOM 966 CE2 PHE A 57 0.941 -1.560 -0.480 1.00 64.52 C ATOM 967 CZ PHE A 57 1.668 -2.137 0.538 1.00 22.30 C ATOM 0 H PHE A 57 2.063 -0.857 -4.571 1.00 45.32 H new ATOM 0 HA PHE A 57 4.409 -1.993 -3.451 1.00 71.31 H new ATOM 0 HB2 PHE A 57 1.654 -3.049 -4.174 1.00 23.21 H new ATOM 0 HB3 PHE A 57 2.903 -4.152 -3.631 1.00 23.21 H new ATOM 0 HD1 PHE A 57 3.744 -4.052 -1.299 1.00 55.25 H new ATOM 0 HD2 PHE A 57 0.645 -1.414 -2.585 1.00 55.23 H new ATOM 0 HE1 PHE A 57 3.246 -3.486 1.035 1.00 61.43 H new ATOM 0 HE2 PHE A 57 0.151 -0.861 -0.249 1.00 64.52 H new ATOM 0 HZ PHE A 57 1.451 -1.890 1.567 1.00 22.30 H new ATOM 977 N GLN A 58 3.971 -2.650 -6.648 1.00 1.53 N ATOM 978 CA GLN A 58 4.682 -3.192 -7.836 1.00 23.13 C ATOM 979 C GLN A 58 6.126 -2.627 -7.935 1.00 52.41 C ATOM 980 O GLN A 58 7.090 -3.389 -8.073 1.00 30.11 O ATOM 981 CB GLN A 58 3.893 -2.895 -9.143 1.00 73.02 C ATOM 982 CG GLN A 58 2.497 -3.552 -9.243 1.00 23.31 C ATOM 983 CD GLN A 58 2.498 -5.089 -9.370 1.00 71.22 C ATOM 984 OE1 GLN A 58 3.374 -5.788 -8.868 1.00 40.33 O ATOM 985 NE2 GLN A 58 1.485 -5.630 -10.026 1.00 35.14 N ATOM 0 H GLN A 58 3.155 -2.080 -6.873 1.00 1.53 H new ATOM 0 HA GLN A 58 4.748 -4.273 -7.712 1.00 23.13 H new ATOM 0 HB2 GLN A 58 3.775 -1.816 -9.238 1.00 73.02 H new ATOM 0 HB3 GLN A 58 4.492 -3.226 -9.991 1.00 73.02 H new ATOM 0 HG2 GLN A 58 1.921 -3.278 -8.359 1.00 23.31 H new ATOM 0 HG3 GLN A 58 1.978 -3.133 -10.105 1.00 23.31 H new ATOM 0 HE21 GLN A 58 0.766 -5.034 -10.436 1.00 35.14 H new ATOM 0 HE22 GLN A 58 1.422 -6.644 -10.121 1.00 35.14 H new ATOM 994 N ASN A 59 6.256 -1.284 -7.834 1.00 15.11 N ATOM 995 CA ASN A 59 7.575 -0.597 -7.846 1.00 31.05 C ATOM 996 C ASN A 59 8.418 -0.965 -6.600 1.00 11.12 C ATOM 997 O ASN A 59 9.627 -1.176 -6.702 1.00 63.21 O ATOM 998 CB ASN A 59 7.397 0.946 -7.921 1.00 62.44 C ATOM 999 CG ASN A 59 6.800 1.419 -9.246 1.00 63.04 C ATOM 1000 OD1 ASN A 59 7.519 1.635 -10.216 1.00 72.22 O ATOM 1001 ND2 ASN A 59 5.499 1.608 -9.299 1.00 23.42 N ATOM 0 H ASN A 59 5.462 -0.650 -7.743 1.00 15.11 H new ATOM 0 HA ASN A 59 8.106 -0.937 -8.735 1.00 31.05 H new ATOM 0 HB2 ASN A 59 6.754 1.271 -7.103 1.00 62.44 H new ATOM 0 HB3 ASN A 59 8.365 1.425 -7.775 1.00 62.44 H new ATOM 0 HD21 ASN A 59 5.067 1.941 -10.161 1.00 23.42 H new ATOM 0 HD22 ASN A 59 4.923 1.421 -8.478 1.00 23.42 H new ATOM 1008 N ARG A 60 7.749 -1.058 -5.438 1.00 10.23 N ATOM 1009 CA ARG A 60 8.404 -1.326 -4.136 1.00 61.02 C ATOM 1010 C ARG A 60 9.062 -2.733 -4.101 1.00 53.01 C ATOM 1011 O ARG A 60 10.209 -2.885 -3.666 1.00 23.02 O ATOM 1012 CB ARG A 60 7.360 -1.182 -2.993 1.00 73.01 C ATOM 1013 CG ARG A 60 7.938 -1.302 -1.565 1.00 12.40 C ATOM 1014 CD ARG A 60 8.933 -0.180 -1.222 1.00 42.04 C ATOM 1015 NE ARG A 60 9.542 -0.353 0.109 1.00 51.10 N ATOM 1016 CZ ARG A 60 10.357 0.507 0.691 1.00 44.52 C ATOM 1017 NH1 ARG A 60 10.657 1.635 0.129 1.00 21.53 N ATOM 1018 NH2 ARG A 60 10.865 0.231 1.849 1.00 32.51 N ATOM 0 H ARG A 60 6.737 -0.950 -5.370 1.00 10.23 H new ATOM 0 HA ARG A 60 9.201 -0.596 -3.996 1.00 61.02 H new ATOM 0 HB2 ARG A 60 6.868 -0.214 -3.090 1.00 73.01 H new ATOM 0 HB3 ARG A 60 6.592 -1.945 -3.124 1.00 73.01 H new ATOM 0 HG2 ARG A 60 7.119 -1.286 -0.845 1.00 12.40 H new ATOM 0 HG3 ARG A 60 8.436 -2.266 -1.461 1.00 12.40 H new ATOM 0 HD2 ARG A 60 9.719 -0.153 -1.977 1.00 42.04 H new ATOM 0 HD3 ARG A 60 8.420 0.781 -1.261 1.00 42.04 H new ATOM 0 HE ARG A 60 9.316 -1.205 0.621 1.00 51.10 H new ATOM 0 HH11 ARG A 60 10.261 1.873 -0.781 1.00 21.53 H new ATOM 0 HH12 ARG A 60 11.289 2.285 0.596 1.00 21.53 H new ATOM 0 HH21 ARG A 60 10.635 -0.649 2.310 1.00 32.51 H new ATOM 0 HH22 ARG A 60 11.495 0.894 2.301 1.00 32.51 H new ATOM 1032 N ARG A 61 8.322 -3.749 -4.579 1.00 10.22 N ATOM 1033 CA ARG A 61 8.801 -5.155 -4.617 1.00 3.23 C ATOM 1034 C ARG A 61 9.827 -5.383 -5.752 1.00 24.51 C ATOM 1035 O ARG A 61 10.666 -6.280 -5.660 1.00 53.32 O ATOM 1036 CB ARG A 61 7.600 -6.119 -4.766 1.00 23.31 C ATOM 1037 CG ARG A 61 6.571 -6.018 -3.618 1.00 73.40 C ATOM 1038 CD ARG A 61 5.396 -6.987 -3.788 1.00 44.23 C ATOM 1039 NE ARG A 61 5.813 -8.391 -3.646 1.00 24.31 N ATOM 1040 CZ ARG A 61 5.031 -9.437 -3.783 1.00 40.10 C ATOM 1041 NH1 ARG A 61 3.774 -9.310 -4.106 1.00 63.43 N ATOM 1042 NH2 ARG A 61 5.518 -10.617 -3.605 1.00 34.43 N ATOM 0 H ARG A 61 7.380 -3.627 -4.949 1.00 10.22 H new ATOM 0 HA ARG A 61 9.310 -5.361 -3.676 1.00 3.23 H new ATOM 0 HB2 ARG A 61 7.097 -5.914 -5.711 1.00 23.31 H new ATOM 0 HB3 ARG A 61 7.972 -7.142 -4.818 1.00 23.31 H new ATOM 0 HG2 ARG A 61 7.070 -6.221 -2.670 1.00 73.40 H new ATOM 0 HG3 ARG A 61 6.190 -4.998 -3.566 1.00 73.40 H new ATOM 0 HD2 ARG A 61 4.629 -6.760 -3.047 1.00 44.23 H new ATOM 0 HD3 ARG A 61 4.945 -6.841 -4.769 1.00 44.23 H new ATOM 0 HE ARG A 61 6.793 -8.567 -3.422 1.00 24.31 H new ATOM 0 HH11 ARG A 61 3.378 -8.383 -4.258 1.00 63.43 H new ATOM 0 HH12 ARG A 61 3.187 -10.138 -4.206 1.00 63.43 H new ATOM 0 HH21 ARG A 61 6.502 -10.731 -3.360 1.00 34.43 H new ATOM 0 HH22 ARG A 61 4.920 -11.437 -3.709 1.00 34.43 H new ATOM 1056 N ALA A 62 9.738 -4.570 -6.819 1.00 13.04 N ATOM 1057 CA ALA A 62 10.731 -4.570 -7.920 1.00 31.15 C ATOM 1058 C ALA A 62 12.110 -4.048 -7.436 1.00 40.14 C ATOM 1059 O ALA A 62 13.161 -4.555 -7.841 1.00 54.31 O ATOM 1060 CB ALA A 62 10.212 -3.730 -9.094 1.00 63.54 C ATOM 0 H ALA A 62 8.983 -3.897 -6.947 1.00 13.04 H new ATOM 0 HA ALA A 62 10.870 -5.598 -8.256 1.00 31.15 H new ATOM 0 HB1 ALA A 62 10.948 -3.735 -9.898 1.00 63.54 H new ATOM 0 HB2 ALA A 62 9.275 -4.152 -9.457 1.00 63.54 H new ATOM 0 HB3 ALA A 62 10.045 -2.705 -8.762 1.00 63.54 H new ATOM 1066 N LYS A 63 12.075 -3.021 -6.561 1.00 4.04 N ATOM 1067 CA LYS A 63 13.281 -2.469 -5.894 1.00 22.53 C ATOM 1068 C LYS A 63 13.805 -3.423 -4.788 1.00 34.04 C ATOM 1069 O LYS A 63 14.986 -3.372 -4.426 1.00 74.42 O ATOM 1070 CB LYS A 63 12.964 -1.079 -5.281 1.00 31.33 C ATOM 1071 CG LYS A 63 12.598 0.016 -6.310 1.00 54.15 C ATOM 1072 CD LYS A 63 12.198 1.348 -5.634 1.00 65.44 C ATOM 1073 CE LYS A 63 11.839 2.451 -6.649 1.00 13.41 C ATOM 1074 NZ LYS A 63 12.980 2.797 -7.547 1.00 43.23 N ATOM 0 H LYS A 63 11.211 -2.549 -6.295 1.00 4.04 H new ATOM 0 HA LYS A 63 14.060 -2.365 -6.649 1.00 22.53 H new ATOM 0 HB2 LYS A 63 12.138 -1.188 -4.578 1.00 31.33 H new ATOM 0 HB3 LYS A 63 13.829 -0.745 -4.708 1.00 31.33 H new ATOM 0 HG2 LYS A 63 13.447 0.188 -6.972 1.00 54.15 H new ATOM 0 HG3 LYS A 63 11.775 -0.334 -6.932 1.00 54.15 H new ATOM 0 HD2 LYS A 63 11.346 1.175 -4.977 1.00 65.44 H new ATOM 0 HD3 LYS A 63 13.020 1.692 -5.006 1.00 65.44 H new ATOM 0 HE2 LYS A 63 10.993 2.123 -7.253 1.00 13.41 H new ATOM 0 HE3 LYS A 63 11.520 3.344 -6.112 1.00 13.41 H new ATOM 0 HZ1 LYS A 63 12.720 3.611 -8.140 1.00 43.23 H new ATOM 0 HZ2 LYS A 63 13.813 3.039 -6.973 1.00 43.23 H new ATOM 0 HZ3 LYS A 63 13.203 1.983 -8.154 1.00 43.23 H new ATOM 1088 N TRP A 64 12.902 -4.251 -4.224 1.00 73.20 N ATOM 1089 CA TRP A 64 13.260 -5.278 -3.220 1.00 10.43 C ATOM 1090 C TRP A 64 14.057 -6.439 -3.880 1.00 72.22 C ATOM 1091 O TRP A 64 15.112 -6.846 -3.378 1.00 41.54 O ATOM 1092 CB TRP A 64 11.974 -5.806 -2.524 1.00 4.51 C ATOM 1093 CG TRP A 64 12.234 -6.800 -1.416 1.00 41.14 C ATOM 1094 CD1 TRP A 64 12.571 -6.517 -0.121 1.00 5.44 C ATOM 1095 CD2 TRP A 64 12.186 -8.234 -1.508 1.00 34.43 C ATOM 1096 NE1 TRP A 64 12.734 -7.681 0.585 1.00 22.12 N ATOM 1097 CE2 TRP A 64 12.509 -8.746 -0.244 1.00 24.33 C ATOM 1098 CE3 TRP A 64 11.909 -9.125 -2.544 1.00 63.45 C ATOM 1099 CZ2 TRP A 64 12.553 -10.111 0.019 1.00 4.31 C ATOM 1100 CZ3 TRP A 64 11.953 -10.482 -2.288 1.00 4.11 C ATOM 1101 CH2 TRP A 64 12.275 -10.963 -1.013 1.00 63.52 C ATOM 0 H TRP A 64 11.908 -4.228 -4.450 1.00 73.20 H new ATOM 0 HA TRP A 64 13.902 -4.825 -2.464 1.00 10.43 H new ATOM 0 HB2 TRP A 64 11.422 -4.960 -2.116 1.00 4.51 H new ATOM 0 HB3 TRP A 64 11.334 -6.273 -3.273 1.00 4.51 H new ATOM 0 HD1 TRP A 64 12.691 -5.524 0.285 1.00 5.44 H new ATOM 0 HE1 TRP A 64 12.984 -7.743 1.572 1.00 22.12 H new ATOM 0 HE3 TRP A 64 11.664 -8.760 -3.531 1.00 63.45 H new ATOM 0 HZ2 TRP A 64 12.798 -10.484 1.003 1.00 4.31 H new ATOM 0 HZ3 TRP A 64 11.736 -11.181 -3.082 1.00 4.11 H new ATOM 0 HH2 TRP A 64 12.304 -12.029 -0.842 1.00 63.52 H new ATOM 1112 N ARG A 65 13.531 -6.962 -5.003 1.00 65.40 N ATOM 1113 CA ARG A 65 14.172 -8.057 -5.771 1.00 12.30 C ATOM 1114 C ARG A 65 15.452 -7.553 -6.502 1.00 4.34 C ATOM 1115 O ARG A 65 15.372 -6.692 -7.388 1.00 72.12 O ATOM 1116 CB ARG A 65 13.154 -8.649 -6.783 1.00 41.30 C ATOM 1117 CG ARG A 65 11.900 -9.288 -6.143 1.00 42.43 C ATOM 1118 CD ARG A 65 10.848 -9.735 -7.179 1.00 35.21 C ATOM 1119 NE ARG A 65 10.341 -8.609 -7.994 1.00 24.31 N ATOM 1120 CZ ARG A 65 9.089 -8.195 -8.048 1.00 34.02 C ATOM 1121 NH1 ARG A 65 8.183 -8.672 -7.251 1.00 73.43 N ATOM 1122 NH2 ARG A 65 8.767 -7.265 -8.885 1.00 63.13 N ATOM 0 H ARG A 65 12.651 -6.641 -5.407 1.00 65.40 H new ATOM 0 HA ARG A 65 14.478 -8.840 -5.077 1.00 12.30 H new ATOM 0 HB2 ARG A 65 12.835 -7.857 -7.461 1.00 41.30 H new ATOM 0 HB3 ARG A 65 13.660 -9.402 -7.387 1.00 41.30 H new ATOM 0 HG2 ARG A 65 12.203 -10.150 -5.548 1.00 42.43 H new ATOM 0 HG3 ARG A 65 11.445 -8.572 -5.459 1.00 42.43 H new ATOM 0 HD2 ARG A 65 11.286 -10.486 -7.836 1.00 35.21 H new ATOM 0 HD3 ARG A 65 10.014 -10.210 -6.663 1.00 35.21 H new ATOM 0 HE ARG A 65 11.021 -8.107 -8.566 1.00 24.31 H new ATOM 0 HH11 ARG A 65 8.432 -9.383 -6.563 1.00 73.43 H new ATOM 0 HH12 ARG A 65 7.222 -8.336 -7.312 1.00 73.43 H new ATOM 0 HH21 ARG A 65 9.477 -6.859 -9.495 1.00 63.13 H new ATOM 0 HH22 ARG A 65 7.803 -6.937 -8.936 1.00 63.13 H new ATOM 1136 N LYS A 66 16.624 -8.096 -6.117 1.00 4.14 N ATOM 1137 CA LYS A 66 17.939 -7.638 -6.630 1.00 21.22 C ATOM 1138 C LYS A 66 18.173 -8.046 -8.117 1.00 53.52 C ATOM 1139 O LYS A 66 18.113 -9.231 -8.466 1.00 41.51 O ATOM 1140 CB LYS A 66 19.089 -8.168 -5.725 1.00 44.25 C ATOM 1141 CG LYS A 66 19.025 -7.674 -4.257 1.00 71.11 C ATOM 1142 CD LYS A 66 20.265 -8.091 -3.425 1.00 55.44 C ATOM 1143 CE LYS A 66 20.223 -7.560 -1.975 1.00 73.13 C ATOM 1144 NZ LYS A 66 19.066 -8.096 -1.203 1.00 44.14 N ATOM 0 H LYS A 66 16.690 -8.861 -5.445 1.00 4.14 H new ATOM 0 HA LYS A 66 17.936 -6.548 -6.599 1.00 21.22 H new ATOM 0 HB2 LYS A 66 19.067 -9.258 -5.731 1.00 44.25 H new ATOM 0 HB3 LYS A 66 20.043 -7.866 -6.156 1.00 44.25 H new ATOM 0 HG2 LYS A 66 18.937 -6.588 -4.248 1.00 71.11 H new ATOM 0 HG3 LYS A 66 18.127 -8.071 -3.784 1.00 71.11 H new ATOM 0 HD2 LYS A 66 20.335 -9.179 -3.406 1.00 55.44 H new ATOM 0 HD3 LYS A 66 21.166 -7.722 -3.915 1.00 55.44 H new ATOM 0 HE2 LYS A 66 21.150 -7.827 -1.467 1.00 73.13 H new ATOM 0 HE3 LYS A 66 20.171 -6.471 -1.992 1.00 73.13 H new ATOM 0 HZ1 LYS A 66 19.112 -7.750 -0.223 1.00 44.14 H new ATOM 0 HZ2 LYS A 66 18.178 -7.777 -1.641 1.00 44.14 H new ATOM 0 HZ3 LYS A 66 19.099 -9.135 -1.205 1.00 44.14 H new ATOM 1158 N ARG A 67 18.448 -7.022 -8.966 1.00 4.52 N ATOM 1159 CA ARG A 67 18.719 -7.154 -10.431 1.00 62.31 C ATOM 1160 C ARG A 67 17.527 -7.777 -11.219 1.00 13.25 C ATOM 1161 O ARG A 67 17.711 -8.344 -12.302 1.00 44.44 O ATOM 1162 CB ARG A 67 20.046 -7.933 -10.725 1.00 24.20 C ATOM 1163 CG ARG A 67 21.359 -7.243 -10.252 1.00 71.22 C ATOM 1164 CD ARG A 67 21.630 -7.376 -8.739 1.00 42.33 C ATOM 1165 NE ARG A 67 21.641 -8.793 -8.313 1.00 21.44 N ATOM 1166 CZ ARG A 67 22.544 -9.371 -7.545 1.00 23.31 C ATOM 1167 NH1 ARG A 67 23.532 -8.702 -7.034 1.00 75.12 N ATOM 1168 NH2 ARG A 67 22.454 -10.637 -7.309 1.00 44.52 N ATOM 0 H ARG A 67 18.490 -6.054 -8.647 1.00 4.52 H new ATOM 0 HA ARG A 67 18.844 -6.133 -10.792 1.00 62.31 H new ATOM 0 HB2 ARG A 67 19.982 -8.912 -10.251 1.00 24.20 H new ATOM 0 HB3 ARG A 67 20.114 -8.103 -11.800 1.00 24.20 H new ATOM 0 HG2 ARG A 67 22.199 -7.670 -10.800 1.00 71.22 H new ATOM 0 HG3 ARG A 67 21.315 -6.185 -10.511 1.00 71.22 H new ATOM 0 HD2 ARG A 67 22.588 -6.915 -8.498 1.00 42.33 H new ATOM 0 HD3 ARG A 67 20.866 -6.833 -8.182 1.00 42.33 H new ATOM 0 HE ARG A 67 20.876 -9.380 -8.646 1.00 21.44 H new ATOM 0 HH11 ARG A 67 23.624 -7.704 -7.223 1.00 75.12 H new ATOM 0 HH12 ARG A 67 24.216 -9.174 -6.443 1.00 75.12 H new ATOM 0 HH21 ARG A 67 21.691 -11.178 -7.715 1.00 44.52 H new ATOM 0 HH22 ARG A 67 23.146 -11.096 -6.717 1.00 44.52 H new ATOM 1182 N GLU A 68 16.304 -7.631 -10.678 1.00 71.10 N ATOM 1183 CA GLU A 68 15.059 -8.124 -11.318 1.00 52.15 C ATOM 1184 C GLU A 68 14.661 -7.211 -12.520 1.00 55.41 C ATOM 1185 O GLU A 68 15.042 -6.033 -12.557 1.00 51.04 O ATOM 1186 CB GLU A 68 13.952 -8.204 -10.227 1.00 30.24 C ATOM 1187 CG GLU A 68 12.621 -8.909 -10.617 1.00 3.51 C ATOM 1188 CD GLU A 68 11.563 -7.981 -11.245 1.00 4.13 C ATOM 1189 OE1 GLU A 68 11.162 -6.992 -10.586 1.00 62.51 O ATOM 1190 OE2 GLU A 68 11.128 -8.235 -12.392 1.00 63.24 O ATOM 0 H GLU A 68 16.145 -7.168 -9.783 1.00 71.10 H new ATOM 0 HA GLU A 68 15.206 -9.120 -11.735 1.00 52.15 H new ATOM 0 HB2 GLU A 68 14.367 -8.720 -9.361 1.00 30.24 H new ATOM 0 HB3 GLU A 68 13.716 -7.188 -9.909 1.00 30.24 H new ATOM 0 HG2 GLU A 68 12.843 -9.713 -11.319 1.00 3.51 H new ATOM 0 HG3 GLU A 68 12.196 -9.372 -9.727 1.00 3.51 H new ATOM 1197 N ARG A 69 13.892 -7.785 -13.477 1.00 34.52 N ATOM 1198 CA ARG A 69 13.530 -7.158 -14.787 1.00 31.22 C ATOM 1199 C ARG A 69 14.741 -7.142 -15.759 1.00 54.22 C ATOM 1200 O ARG A 69 15.764 -6.506 -15.478 1.00 71.13 O ATOM 1201 CB ARG A 69 12.947 -5.712 -14.641 1.00 3.21 C ATOM 1202 CG ARG A 69 12.458 -5.072 -15.976 1.00 30.51 C ATOM 1203 CD ARG A 69 12.566 -3.535 -16.002 1.00 31.52 C ATOM 1204 NE ARG A 69 11.815 -2.876 -14.918 1.00 55.23 N ATOM 1205 CZ ARG A 69 11.741 -1.573 -14.742 1.00 65.21 C ATOM 1206 NH1 ARG A 69 12.302 -0.752 -15.575 1.00 22.42 N ATOM 1207 NH2 ARG A 69 11.091 -1.092 -13.739 1.00 45.21 N ATOM 0 H ARG A 69 13.494 -8.717 -13.364 1.00 34.52 H new ATOM 0 HA ARG A 69 12.741 -7.784 -15.203 1.00 31.22 H new ATOM 0 HB2 ARG A 69 12.113 -5.740 -13.940 1.00 3.21 H new ATOM 0 HB3 ARG A 69 13.711 -5.069 -14.203 1.00 3.21 H new ATOM 0 HG2 ARG A 69 13.041 -5.482 -16.800 1.00 30.51 H new ATOM 0 HG3 ARG A 69 11.420 -5.357 -16.147 1.00 30.51 H new ATOM 0 HD2 ARG A 69 13.616 -3.251 -15.931 1.00 31.52 H new ATOM 0 HD3 ARG A 69 12.201 -3.169 -16.961 1.00 31.52 H new ATOM 0 HE ARG A 69 11.317 -3.472 -14.257 1.00 55.23 H new ATOM 0 HH11 ARG A 69 12.811 -1.113 -16.382 1.00 22.42 H new ATOM 0 HH12 ARG A 69 12.234 0.254 -15.423 1.00 22.42 H new ATOM 0 HH21 ARG A 69 10.633 -1.721 -13.079 1.00 45.21 H new ATOM 0 HH22 ARG A 69 11.035 -0.082 -13.604 1.00 45.21 H new ATOM 1221 N PHE A 70 14.602 -7.830 -16.910 1.00 10.45 N ATOM 1222 CA PHE A 70 15.662 -7.927 -17.945 1.00 41.22 C ATOM 1223 C PHE A 70 15.073 -7.715 -19.361 1.00 42.32 C ATOM 1224 O PHE A 70 13.886 -7.983 -19.598 1.00 4.12 O ATOM 1225 CB PHE A 70 16.413 -9.289 -17.828 1.00 15.25 C ATOM 1226 CG PHE A 70 15.516 -10.533 -17.861 1.00 51.41 C ATOM 1227 CD1 PHE A 70 14.848 -10.965 -16.713 1.00 11.44 C ATOM 1228 CD2 PHE A 70 15.346 -11.274 -19.033 1.00 34.45 C ATOM 1229 CE1 PHE A 70 14.045 -12.088 -16.737 1.00 25.21 C ATOM 1230 CE2 PHE A 70 14.541 -12.396 -19.052 1.00 33.24 C ATOM 1231 CZ PHE A 70 13.891 -12.803 -17.905 1.00 32.55 C ATOM 0 H PHE A 70 13.751 -8.337 -17.153 1.00 10.45 H new ATOM 0 HA PHE A 70 16.388 -7.132 -17.776 1.00 41.22 H new ATOM 0 HB2 PHE A 70 17.135 -9.359 -18.642 1.00 15.25 H new ATOM 0 HB3 PHE A 70 16.981 -9.294 -16.897 1.00 15.25 H new ATOM 0 HD1 PHE A 70 14.961 -10.412 -15.792 1.00 11.44 H new ATOM 0 HD2 PHE A 70 15.851 -10.965 -19.936 1.00 34.45 H new ATOM 0 HE1 PHE A 70 13.537 -12.407 -15.839 1.00 25.21 H new ATOM 0 HE2 PHE A 70 14.420 -12.956 -19.967 1.00 33.24 H new ATOM 0 HZ PHE A 70 13.262 -13.681 -17.923 1.00 32.55 H new ATOM 1241 N GLY A 71 15.915 -7.224 -20.292 1.00 62.52 N ATOM 1242 CA GLY A 71 15.474 -6.870 -21.651 1.00 60.12 C ATOM 1243 C GLY A 71 15.313 -8.072 -22.588 1.00 20.43 C ATOM 1244 O GLY A 71 16.130 -8.283 -23.491 1.00 2.32 O ATOM 0 H GLY A 71 16.908 -7.064 -20.124 1.00 62.52 H new ATOM 0 HA2 GLY A 71 14.522 -6.342 -21.587 1.00 60.12 H new ATOM 0 HA3 GLY A 71 16.194 -6.177 -22.086 1.00 60.12 H new ATOM 1248 N GLN A 72 14.252 -8.864 -22.368 1.00 24.15 N ATOM 1249 CA GLN A 72 13.911 -10.024 -23.216 1.00 64.11 C ATOM 1250 C GLN A 72 12.943 -9.603 -24.353 1.00 41.33 C ATOM 1251 O GLN A 72 11.816 -9.171 -24.087 1.00 60.00 O ATOM 1252 CB GLN A 72 13.269 -11.136 -22.343 1.00 44.30 C ATOM 1253 CG GLN A 72 12.864 -12.424 -23.102 1.00 42.44 C ATOM 1254 CD GLN A 72 12.150 -13.469 -22.229 1.00 75.04 C ATOM 1255 OE1 GLN A 72 11.475 -13.137 -21.258 1.00 61.43 O ATOM 1256 NE2 GLN A 72 12.285 -14.740 -22.574 1.00 32.11 N ATOM 0 H GLN A 72 13.602 -8.720 -21.595 1.00 24.15 H new ATOM 0 HA GLN A 72 14.823 -10.409 -23.672 1.00 64.11 H new ATOM 0 HB2 GLN A 72 13.970 -11.405 -21.553 1.00 44.30 H new ATOM 0 HB3 GLN A 72 12.383 -10.727 -21.857 1.00 44.30 H new ATOM 0 HG2 GLN A 72 12.212 -12.154 -23.933 1.00 42.44 H new ATOM 0 HG3 GLN A 72 13.758 -12.875 -23.532 1.00 42.44 H new ATOM 0 HE21 GLN A 72 12.851 -14.991 -23.385 1.00 32.11 H new ATOM 0 HE22 GLN A 72 11.823 -15.468 -22.029 1.00 32.11 H new ATOM 1265 N MET A 73 13.414 -9.704 -25.608 1.00 25.03 N ATOM 1266 CA MET A 73 12.577 -9.519 -26.815 1.00 30.03 C ATOM 1267 C MET A 73 13.211 -10.326 -27.977 1.00 55.24 C ATOM 1268 O MET A 73 13.785 -9.768 -28.921 1.00 20.14 O ATOM 1269 CB MET A 73 12.408 -8.003 -27.162 1.00 70.45 C ATOM 1270 CG MET A 73 11.154 -7.667 -27.992 1.00 10.22 C ATOM 1271 SD MET A 73 11.083 -8.518 -29.587 1.00 51.20 S ATOM 1272 CE MET A 73 9.475 -8.010 -30.200 1.00 2.32 C ATOM 0 H MET A 73 14.389 -9.917 -25.819 1.00 25.03 H new ATOM 0 HA MET A 73 11.570 -9.895 -26.634 1.00 30.03 H new ATOM 0 HB2 MET A 73 12.375 -7.433 -26.233 1.00 70.45 H new ATOM 0 HB3 MET A 73 13.289 -7.669 -27.710 1.00 70.45 H new ATOM 0 HG2 MET A 73 10.267 -7.925 -27.413 1.00 10.22 H new ATOM 0 HG3 MET A 73 11.121 -6.591 -28.163 1.00 10.22 H new ATOM 0 HE1 MET A 73 9.299 -8.461 -31.177 1.00 2.32 H new ATOM 0 HE2 MET A 73 8.701 -8.336 -29.505 1.00 2.32 H new ATOM 0 HE3 MET A 73 9.447 -6.924 -30.291 1.00 2.32 H new ATOM 1282 N GLN A 74 13.176 -11.663 -27.833 1.00 12.14 N ATOM 1283 CA GLN A 74 13.759 -12.615 -28.805 1.00 13.32 C ATOM 1284 C GLN A 74 12.653 -13.196 -29.722 1.00 33.23 C ATOM 1285 O GLN A 74 11.931 -14.123 -29.335 1.00 42.45 O ATOM 1286 CB GLN A 74 14.521 -13.766 -28.066 1.00 0.12 C ATOM 1287 CG GLN A 74 15.882 -13.393 -27.425 1.00 10.34 C ATOM 1288 CD GLN A 74 15.803 -12.376 -26.284 1.00 64.01 C ATOM 1289 OE1 GLN A 74 15.984 -11.103 -26.594 1.00 55.32 O flip ATOM 1290 NE2 GLN A 74 15.605 -12.734 -25.132 1.00 3.34 N flip ATOM 0 H GLN A 74 12.739 -12.120 -27.033 1.00 12.14 H new ATOM 0 HA GLN A 74 14.476 -12.076 -29.425 1.00 13.32 H new ATOM 0 HB2 GLN A 74 13.871 -14.158 -27.284 1.00 0.12 H new ATOM 0 HB3 GLN A 74 14.689 -14.575 -28.776 1.00 0.12 H new ATOM 0 HG2 GLN A 74 16.351 -14.302 -27.049 1.00 10.34 H new ATOM 0 HG3 GLN A 74 16.535 -12.995 -28.202 1.00 10.34 H new ATOM 0 HE21 GLN A 74 15.469 -13.723 -24.921 1.00 3.34 H new ATOM 0 HE22 GLN A 74 15.576 -12.044 -24.381 1.00 3.34 H new ATOM 1299 N GLN A 75 12.508 -12.612 -30.921 1.00 11.25 N ATOM 1300 CA GLN A 75 11.568 -13.101 -31.959 1.00 13.14 C ATOM 1301 C GLN A 75 12.358 -13.858 -33.074 1.00 71.42 C ATOM 1302 O GLN A 75 13.045 -13.195 -33.893 1.00 38.20 O ATOM 1303 CB GLN A 75 10.747 -11.908 -32.541 1.00 74.45 C ATOM 1304 CG GLN A 75 9.690 -12.301 -33.596 1.00 12.01 C ATOM 1305 CD GLN A 75 8.958 -11.100 -34.198 1.00 1.32 C ATOM 1306 OE1 GLN A 75 9.377 -10.537 -35.200 1.00 72.23 O ATOM 1307 NE2 GLN A 75 7.860 -10.700 -33.591 1.00 34.44 N ATOM 1308 OXT GLN A 75 12.321 -15.112 -33.102 1.00 38.20 O ATOM 0 H GLN A 75 13.036 -11.787 -31.205 1.00 11.25 H new ATOM 0 HA GLN A 75 10.862 -13.802 -31.514 1.00 13.14 H new ATOM 0 HB2 GLN A 75 10.246 -11.395 -31.720 1.00 74.45 H new ATOM 0 HB3 GLN A 75 11.438 -11.194 -32.989 1.00 74.45 H new ATOM 0 HG2 GLN A 75 10.176 -12.860 -34.396 1.00 12.01 H new ATOM 0 HG3 GLN A 75 8.961 -12.969 -33.138 1.00 12.01 H new ATOM 0 HE21 GLN A 75 7.532 -11.187 -32.757 1.00 34.44 H new ATOM 0 HE22 GLN A 75 7.337 -9.903 -33.955 1.00 34.44 H new TER 1317 GLN A 75