USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 679 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 92 HIS : no HD1:sc= -8.8! C(o=-14!,f=-17!) USER MOD Set 1.2: A 98 ASN : amide:sc= -5.36! C(o=-14!,f=-10!) USER MOD Set 2.1: A 81 ASN : amide:sc= -21! C(o=-54!,f=-29!) USER MOD Set 2.2: A 83 ASN : amide:sc= -22.2! C(o=-54!,f=-27!) USER MOD Set 2.3: A 85 GLN : amide:sc= -10.9! K(o=-54!,f=-28) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -12! C(o=-15!,f=-21!) USER MOD Set 3.2: A 57 TYR OH : rot -60:sc= -3.05! USER MOD Set 4.1: A 12 SER OG : rot 180:sc= -0.776! USER MOD Set 4.2: A 13 SER OG : rot 180:sc= 0.0119 USER MOD Set 5.1: A 6 CYS SG : rot -37:sc= -24! USER MOD Set 5.2: A 9 ASN : amide:sc= -25.4! C(o=-93!,f=-95!) USER MOD Set 5.3: A 11 TYR OH : rot 43:sc= -7.87! USER MOD Set 5.4: A 63 SER OG : rot 80:sc= 0.46 USER MOD Set 5.5: A 103 CYS SG : rot 180:sc= -36! USER MOD Single : A 1 ALA N :NH3+ -133:sc= 0.132 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -73:sc= 0.368 USER MOD Single : A 8 SER OG : rot 60:sc= 1.18 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -11! C(o=-11!,f=-15!) USER MOD Single : A 24 TYR OH : rot -81:sc= -1.36! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.93! C(o=-2.9!,f=-4.4!) USER MOD Single : A 37 SER OG : rot 63:sc= 1.07 USER MOD Single : A 38 TYR OH : rot 61:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -4.85! C(o=-4.7!,f=-4.8!) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.875 (180deg=-1.36) USER MOD Single : A 42 TYR OH : rot 53:sc= -5.09! USER MOD Single : A 43 ASN : amide:sc=-0.00118 X(o=-0.0012,f=0) USER MOD Single : A 44 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.25) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 21:sc= 0.976 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -4.53! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 58:sc= 0.702 USER MOD Single : A 84 ASN : amide:sc= -14.1! C(o=-14!,f=-7.4!) USER MOD Single : A 91 THR OG1 : rot 75:sc= 0.0455 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -52:sc= 1.18 USER MOD Single : A 99 ASN : amide:sc= -12.3! C(o=-12!,f=-8.2!) USER MOD Single : A 104 THR OG1 : rot -71:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.129 -14.682 -7.678 1.00 0.00 N ATOM 2 CA ALA A 1 -8.381 -15.032 -6.483 1.00 0.00 C ATOM 3 C ALA A 1 -7.122 -14.166 -6.402 1.00 0.00 C ATOM 4 O ALA A 1 -6.976 -13.204 -7.154 1.00 0.00 O ATOM 5 CB ALA A 1 -8.061 -16.528 -6.500 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.133 -14.562 -7.436 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.759 -13.793 -8.071 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.031 -15.440 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.973 -14.836 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.500 -16.790 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.989 -17.098 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.465 -16.763 -7.382 1.00 0.00 H new ATOM 11 N CYS A 2 -6.242 -14.540 -5.484 1.00 0.00 N ATOM 12 CA CYS A 2 -5.000 -13.810 -5.296 1.00 0.00 C ATOM 13 C CYS A 2 -4.516 -13.326 -6.664 1.00 0.00 C ATOM 14 O CYS A 2 -4.410 -14.113 -7.603 1.00 0.00 O ATOM 15 CB CYS A 2 -3.946 -14.662 -4.586 1.00 0.00 C ATOM 16 SG CYS A 2 -4.414 -16.413 -4.338 1.00 0.00 S ATOM 0 H CYS A 2 -6.365 -15.339 -4.862 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.174 -12.951 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.022 -14.626 -5.162 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.733 -14.216 -3.614 1.00 0.00 H new ATOM 21 N ASP A 3 -4.236 -12.033 -6.733 1.00 0.00 N ATOM 22 CA ASP A 3 -3.766 -11.434 -7.971 1.00 0.00 C ATOM 23 C ASP A 3 -2.500 -10.622 -7.690 1.00 0.00 C ATOM 24 O ASP A 3 -1.847 -10.143 -8.617 1.00 0.00 O ATOM 25 CB ASP A 3 -4.814 -10.486 -8.557 1.00 0.00 C ATOM 26 CG ASP A 3 -5.738 -11.112 -9.604 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.388 -12.211 -10.085 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.773 -10.477 -9.900 1.00 0.00 O ATOM 0 H ASP A 3 -4.325 -11.383 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.569 -12.237 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.424 -10.095 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.302 -9.636 -9.008 1.00 0.00 H new ATOM 33 N TYR A 4 -2.189 -10.493 -6.408 1.00 0.00 N ATOM 34 CA TYR A 4 -1.012 -9.748 -5.995 1.00 0.00 C ATOM 35 C TYR A 4 -0.217 -10.520 -4.940 1.00 0.00 C ATOM 36 O TYR A 4 -0.434 -10.342 -3.741 1.00 0.00 O ATOM 37 CB TYR A 4 -1.531 -8.449 -5.376 1.00 0.00 C ATOM 38 CG TYR A 4 -2.283 -7.548 -6.358 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.587 -6.847 -7.321 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.657 -7.438 -6.281 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.294 -5.999 -8.245 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.363 -6.590 -7.206 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.647 -5.912 -8.143 1.00 0.00 C ATOM 44 OH TYR A 4 -4.315 -5.111 -9.016 1.00 0.00 O ATOM 0 H TYR A 4 -2.732 -10.892 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.352 -9.572 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.192 -8.694 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.689 -7.894 -4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.512 -6.934 -7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.202 -7.988 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.761 -5.444 -9.003 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.438 -6.494 -7.157 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.275 -5.148 -8.825 1.00 0.00 H new ATOM 54 N THR A 5 0.685 -11.361 -5.422 1.00 0.00 N ATOM 55 CA THR A 5 1.512 -12.161 -4.535 1.00 0.00 C ATOM 56 C THR A 5 2.861 -11.477 -4.303 1.00 0.00 C ATOM 57 O THR A 5 3.719 -11.472 -5.184 1.00 0.00 O ATOM 58 CB THR A 5 1.638 -13.561 -5.140 1.00 0.00 C ATOM 59 OG1 THR A 5 0.369 -14.161 -4.893 1.00 0.00 O ATOM 60 CG2 THR A 5 2.624 -14.444 -4.373 1.00 0.00 C ATOM 0 H THR A 5 0.862 -11.506 -6.416 1.00 0.00 H new ATOM 0 HA THR A 5 1.057 -12.257 -3.549 1.00 0.00 H new ATOM 0 HB THR A 5 1.957 -13.480 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.292 -14.385 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.676 -15.426 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.612 -13.983 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.288 -14.553 -3.342 1.00 0.00 H new ATOM 68 N CYS A 6 3.006 -10.915 -3.112 1.00 0.00 N ATOM 69 CA CYS A 6 4.235 -10.229 -2.752 1.00 0.00 C ATOM 70 C CYS A 6 5.251 -11.275 -2.291 1.00 0.00 C ATOM 71 O CYS A 6 5.697 -11.250 -1.145 1.00 0.00 O ATOM 72 CB CYS A 6 3.995 -9.159 -1.686 1.00 0.00 C ATOM 73 SG CYS A 6 3.287 -7.593 -2.315 1.00 0.00 S ATOM 0 H CYS A 6 2.292 -10.921 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 6 4.627 -9.701 -3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.325 -9.565 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.941 -8.941 -1.191 1.00 0.00 H new ATOM 0 HG CYS A 6 3.789 -7.329 -3.485 1.00 0.00 H new ATOM 78 N GLY A 7 5.590 -12.170 -3.209 1.00 0.00 N ATOM 79 CA GLY A 7 6.546 -13.222 -2.911 1.00 0.00 C ATOM 80 C GLY A 7 5.930 -14.279 -1.991 1.00 0.00 C ATOM 81 O GLY A 7 5.916 -15.464 -2.322 1.00 0.00 O ATOM 0 H GLY A 7 5.219 -12.187 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.877 -13.690 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.429 -12.793 -2.437 1.00 0.00 H new ATOM 85 N SER A 8 5.435 -13.812 -0.854 1.00 0.00 N ATOM 86 CA SER A 8 4.819 -14.700 0.115 1.00 0.00 C ATOM 87 C SER A 8 3.462 -14.143 0.548 1.00 0.00 C ATOM 88 O SER A 8 3.195 -14.004 1.741 1.00 0.00 O ATOM 89 CB SER A 8 5.724 -14.899 1.333 1.00 0.00 C ATOM 90 OG SER A 8 5.643 -13.805 2.243 1.00 0.00 O ATOM 0 H SER A 8 5.449 -12.829 -0.583 1.00 0.00 H new ATOM 0 HA SER A 8 4.672 -15.671 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.444 -15.819 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.756 -15.020 1.002 1.00 0.00 H new ATOM 0 HG SER A 8 4.719 -13.705 2.553 1.00 0.00 H new ATOM 96 N ASN A 9 2.639 -13.838 -0.444 1.00 0.00 N ATOM 97 CA ASN A 9 1.315 -13.300 -0.181 1.00 0.00 C ATOM 98 C ASN A 9 0.317 -13.905 -1.170 1.00 0.00 C ATOM 99 O ASN A 9 0.669 -14.787 -1.951 1.00 0.00 O ATOM 100 CB ASN A 9 1.295 -11.779 -0.358 1.00 0.00 C ATOM 101 CG ASN A 9 2.422 -11.120 0.437 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.201 -10.330 1.340 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.643 -11.486 0.051 1.00 0.00 N ATOM 0 H ASN A 9 2.864 -13.953 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 9 1.047 -13.548 0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.397 -11.531 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.334 -11.384 -0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.463 -11.100 0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.758 -12.152 -0.713 1.00 0.00 H new ATOM 110 N CYS A 10 -0.909 -13.405 -1.105 1.00 0.00 N ATOM 111 CA CYS A 10 -1.961 -13.885 -1.985 1.00 0.00 C ATOM 112 C CYS A 10 -3.224 -13.066 -1.715 1.00 0.00 C ATOM 113 O CYS A 10 -4.246 -13.612 -1.302 1.00 0.00 O ATOM 114 CB CYS A 10 -2.204 -15.385 -1.808 1.00 0.00 C ATOM 115 SG CYS A 10 -2.459 -16.310 -3.367 1.00 0.00 S ATOM 0 H CYS A 10 -1.197 -12.672 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.659 -13.752 -3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.353 -15.817 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.078 -15.525 -1.172 1.00 0.00 H new ATOM 120 N TYR A 11 -3.113 -11.769 -1.960 1.00 0.00 N ATOM 121 CA TYR A 11 -4.234 -10.868 -1.748 1.00 0.00 C ATOM 122 C TYR A 11 -4.500 -10.022 -2.994 1.00 0.00 C ATOM 123 O TYR A 11 -3.836 -9.011 -3.216 1.00 0.00 O ATOM 124 CB TYR A 11 -3.824 -9.946 -0.598 1.00 0.00 C ATOM 125 CG TYR A 11 -2.322 -9.653 -0.541 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.628 -9.381 -1.702 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.664 -9.662 0.672 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.216 -9.106 -1.648 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.251 -9.387 0.725 1.00 0.00 C ATOM 130 CZ TYR A 11 0.404 -9.122 -0.437 1.00 0.00 C ATOM 131 OH TYR A 11 1.737 -8.862 -0.387 1.00 0.00 O ATOM 0 H TYR A 11 -2.264 -11.320 -2.303 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.142 -11.430 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.364 -9.004 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.132 -10.399 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.144 -9.374 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.208 -9.875 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.339 -8.892 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.277 -9.391 1.667 1.00 0.00 H new ATOM 0 HH TYR A 11 1.945 -8.106 -0.975 1.00 0.00 H new ATOM 141 N SER A 12 -5.473 -10.467 -3.776 1.00 0.00 N ATOM 142 CA SER A 12 -5.836 -9.764 -4.994 1.00 0.00 C ATOM 143 C SER A 12 -6.368 -8.369 -4.655 1.00 0.00 C ATOM 144 O SER A 12 -6.449 -8.001 -3.484 1.00 0.00 O ATOM 145 CB SER A 12 -6.877 -10.548 -5.795 1.00 0.00 C ATOM 146 OG SER A 12 -7.738 -9.689 -6.538 1.00 0.00 O ATOM 0 H SER A 12 -6.021 -11.307 -3.589 1.00 0.00 H new ATOM 0 HA SER A 12 -4.942 -9.666 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.370 -11.231 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.472 -11.158 -5.116 1.00 0.00 H new ATOM 0 HG SER A 12 -8.387 -10.228 -7.037 1.00 0.00 H new ATOM 152 N SER A 13 -6.714 -7.633 -5.700 1.00 0.00 N ATOM 153 CA SER A 13 -7.235 -6.287 -5.528 1.00 0.00 C ATOM 154 C SER A 13 -8.377 -6.295 -4.510 1.00 0.00 C ATOM 155 O SER A 13 -8.746 -5.248 -3.978 1.00 0.00 O ATOM 156 CB SER A 13 -7.715 -5.708 -6.860 1.00 0.00 C ATOM 157 OG SER A 13 -8.267 -6.710 -7.710 1.00 0.00 O ATOM 0 H SER A 13 -6.644 -7.943 -6.669 1.00 0.00 H new ATOM 0 HA SER A 13 -6.430 -5.653 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.464 -4.939 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.880 -5.223 -7.366 1.00 0.00 H new ATOM 0 HG SER A 13 -8.563 -6.300 -8.549 1.00 0.00 H new ATOM 163 N SER A 14 -8.904 -7.486 -4.268 1.00 0.00 N ATOM 164 CA SER A 14 -9.996 -7.643 -3.322 1.00 0.00 C ATOM 165 C SER A 14 -9.449 -7.687 -1.894 1.00 0.00 C ATOM 166 O SER A 14 -10.123 -7.265 -0.955 1.00 0.00 O ATOM 167 CB SER A 14 -10.804 -8.908 -3.620 1.00 0.00 C ATOM 168 OG SER A 14 -11.918 -9.049 -2.742 1.00 0.00 O ATOM 0 H SER A 14 -8.595 -8.352 -4.711 1.00 0.00 H new ATOM 0 HA SER A 14 -10.662 -6.786 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.156 -8.879 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.158 -9.781 -3.529 1.00 0.00 H new ATOM 0 HG SER A 14 -12.409 -9.867 -2.965 1.00 0.00 H new ATOM 174 N ASP A 15 -8.233 -8.200 -1.775 1.00 0.00 N ATOM 175 CA ASP A 15 -7.589 -8.303 -0.477 1.00 0.00 C ATOM 176 C ASP A 15 -6.917 -6.971 -0.138 1.00 0.00 C ATOM 177 O ASP A 15 -6.988 -6.507 0.999 1.00 0.00 O ATOM 178 CB ASP A 15 -6.511 -9.389 -0.482 1.00 0.00 C ATOM 179 CG ASP A 15 -6.989 -10.776 -0.049 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.792 -11.363 -0.808 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.540 -11.221 1.029 1.00 0.00 O ATOM 0 H ASP A 15 -7.677 -8.549 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.352 -8.556 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.095 -9.462 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.700 -9.078 0.177 1.00 0.00 H new ATOM 186 N VAL A 16 -6.279 -6.393 -1.145 1.00 0.00 N ATOM 187 CA VAL A 16 -5.596 -5.124 -0.969 1.00 0.00 C ATOM 188 C VAL A 16 -6.537 -4.134 -0.281 1.00 0.00 C ATOM 189 O VAL A 16 -6.161 -3.495 0.701 1.00 0.00 O ATOM 190 CB VAL A 16 -5.076 -4.618 -2.316 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.608 -3.164 -2.212 1.00 0.00 C ATOM 192 CG2 VAL A 16 -3.957 -5.517 -2.846 1.00 0.00 C ATOM 0 H VAL A 16 -6.221 -6.781 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.725 -5.245 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.901 -4.655 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.243 -2.829 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.442 -2.535 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.805 -3.092 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.606 -5.134 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.131 -5.527 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.336 -6.531 -2.977 1.00 0.00 H new ATOM 202 N SER A 17 -7.741 -4.037 -0.823 1.00 0.00 N ATOM 203 CA SER A 17 -8.740 -3.135 -0.273 1.00 0.00 C ATOM 204 C SER A 17 -8.701 -3.180 1.255 1.00 0.00 C ATOM 205 O SER A 17 -8.620 -2.141 1.908 1.00 0.00 O ATOM 206 CB SER A 17 -10.140 -3.488 -0.779 1.00 0.00 C ATOM 207 OG SER A 17 -11.096 -2.486 -0.448 1.00 0.00 O ATOM 0 H SER A 17 -8.049 -4.568 -1.638 1.00 0.00 H new ATOM 0 HA SER A 17 -8.507 -2.124 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.112 -3.619 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.451 -4.441 -0.351 1.00 0.00 H new ATOM 0 HG SER A 17 -11.976 -2.748 -0.790 1.00 0.00 H new ATOM 213 N THR A 18 -8.758 -4.394 1.781 1.00 0.00 N ATOM 214 CA THR A 18 -8.731 -4.589 3.221 1.00 0.00 C ATOM 215 C THR A 18 -7.619 -3.747 3.851 1.00 0.00 C ATOM 216 O THR A 18 -7.882 -2.909 4.712 1.00 0.00 O ATOM 217 CB THR A 18 -8.586 -6.087 3.494 1.00 0.00 C ATOM 218 OG1 THR A 18 -9.929 -6.558 3.567 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.013 -6.378 4.882 1.00 0.00 C ATOM 0 H THR A 18 -8.823 -5.254 1.236 1.00 0.00 H new ATOM 0 HA THR A 18 -9.657 -4.248 3.683 1.00 0.00 H new ATOM 0 HB THR A 18 -7.942 -6.533 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.928 -7.523 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.931 -7.456 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.026 -5.924 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.673 -5.961 5.643 1.00 0.00 H new ATOM 227 N ALA A 19 -6.400 -3.998 3.397 1.00 0.00 N ATOM 228 CA ALA A 19 -5.247 -3.274 3.905 1.00 0.00 C ATOM 229 C ALA A 19 -5.476 -1.772 3.728 1.00 0.00 C ATOM 230 O ALA A 19 -5.198 -0.987 4.633 1.00 0.00 O ATOM 231 CB ALA A 19 -3.984 -3.760 3.193 1.00 0.00 C ATOM 0 H ALA A 19 -6.185 -4.693 2.682 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.113 -3.464 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.119 -3.217 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.851 -4.827 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.080 -3.584 2.122 1.00 0.00 H new ATOM 237 N GLN A 20 -5.980 -1.416 2.555 1.00 0.00 N ATOM 238 CA GLN A 20 -6.249 -0.022 2.247 1.00 0.00 C ATOM 239 C GLN A 20 -7.227 0.567 3.265 1.00 0.00 C ATOM 240 O GLN A 20 -6.946 1.595 3.879 1.00 0.00 O ATOM 241 CB GLN A 20 -6.783 0.132 0.821 1.00 0.00 C ATOM 242 CG GLN A 20 -5.973 -0.716 -0.162 1.00 0.00 C ATOM 243 CD GLN A 20 -5.697 0.055 -1.454 1.00 0.00 C ATOM 244 OE1 GLN A 20 -4.611 0.016 -2.010 1.00 0.00 O ATOM 245 NE2 GLN A 20 -6.735 0.757 -1.898 1.00 0.00 N ATOM 0 H GLN A 20 -6.209 -2.070 1.806 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.312 0.531 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.831 -0.167 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.740 1.180 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.030 -1.011 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.517 -1.633 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.616 0.746 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.651 1.307 -2.753 1.00 0.00 H new ATOM 254 N ALA A 21 -8.357 -0.109 3.412 1.00 0.00 N ATOM 255 CA ALA A 21 -9.377 0.334 4.346 1.00 0.00 C ATOM 256 C ALA A 21 -8.706 0.934 5.583 1.00 0.00 C ATOM 257 O ALA A 21 -9.208 1.898 6.160 1.00 0.00 O ATOM 258 CB ALA A 21 -10.297 -0.839 4.692 1.00 0.00 C ATOM 0 H ALA A 21 -8.588 -0.960 2.900 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.995 1.112 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.063 -0.506 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.773 -1.209 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.712 -1.639 5.146 1.00 0.00 H new ATOM 264 N ALA A 22 -7.583 0.338 5.955 1.00 0.00 N ATOM 265 CA ALA A 22 -6.838 0.802 7.112 1.00 0.00 C ATOM 266 C ALA A 22 -6.108 2.099 6.759 1.00 0.00 C ATOM 267 O ALA A 22 -6.250 3.105 7.453 1.00 0.00 O ATOM 268 CB ALA A 22 -5.880 -0.297 7.577 1.00 0.00 C ATOM 0 H ALA A 22 -7.171 -0.462 5.475 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.513 1.019 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.321 0.051 8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.450 -1.187 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.186 -0.539 6.772 1.00 0.00 H new ATOM 274 N GLY A 23 -5.343 2.036 5.679 1.00 0.00 N ATOM 275 CA GLY A 23 -4.592 3.192 5.224 1.00 0.00 C ATOM 276 C GLY A 23 -5.521 4.380 4.961 1.00 0.00 C ATOM 277 O GLY A 23 -5.195 5.515 5.306 1.00 0.00 O ATOM 0 H GLY A 23 -5.228 1.200 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.849 3.465 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.049 2.942 4.313 1.00 0.00 H new ATOM 281 N TYR A 24 -6.657 4.078 4.351 1.00 0.00 N ATOM 282 CA TYR A 24 -7.634 5.106 4.037 1.00 0.00 C ATOM 283 C TYR A 24 -8.236 5.699 5.313 1.00 0.00 C ATOM 284 O TYR A 24 -8.013 6.867 5.623 1.00 0.00 O ATOM 285 CB TYR A 24 -8.740 4.409 3.242 1.00 0.00 C ATOM 286 CG TYR A 24 -9.527 5.342 2.320 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.002 5.709 1.098 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.762 5.817 2.711 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.743 6.588 0.230 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.503 6.696 1.843 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.957 7.037 0.645 1.00 0.00 C ATOM 292 OH TYR A 24 -11.656 7.866 -0.174 1.00 0.00 O ATOM 0 H TYR A 24 -6.923 3.136 4.066 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.169 5.920 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.297 3.613 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.432 3.936 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.035 5.337 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.173 5.530 3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.343 6.884 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.470 7.076 2.137 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.320 8.781 -0.077 1.00 0.00 H new ATOM 302 N LYS A 25 -8.987 4.865 6.017 1.00 0.00 N ATOM 303 CA LYS A 25 -9.622 5.292 7.253 1.00 0.00 C ATOM 304 C LYS A 25 -8.628 6.113 8.075 1.00 0.00 C ATOM 305 O LYS A 25 -8.940 7.223 8.504 1.00 0.00 O ATOM 306 CB LYS A 25 -10.196 4.088 8.003 1.00 0.00 C ATOM 307 CG LYS A 25 -10.950 4.533 9.258 1.00 0.00 C ATOM 308 CD LYS A 25 -12.218 5.307 8.889 1.00 0.00 C ATOM 309 CE LYS A 25 -13.106 5.521 10.116 1.00 0.00 C ATOM 310 NZ LYS A 25 -14.248 6.402 9.783 1.00 0.00 N ATOM 0 H LYS A 25 -9.170 3.896 5.756 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.472 5.941 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.868 3.534 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.389 3.409 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.213 3.661 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.303 5.159 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.948 6.271 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.772 4.761 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.473 4.561 10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.521 5.963 10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.840 6.537 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.892 7.324 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.815 5.965 9.028 1.00 0.00 H new ATOM 324 N LEU A 26 -7.452 5.537 8.270 1.00 0.00 N ATOM 325 CA LEU A 26 -6.409 6.201 9.033 1.00 0.00 C ATOM 326 C LEU A 26 -5.983 7.477 8.304 1.00 0.00 C ATOM 327 O LEU A 26 -5.659 8.479 8.937 1.00 0.00 O ATOM 328 CB LEU A 26 -5.255 5.239 9.316 1.00 0.00 C ATOM 329 CG LEU A 26 -3.930 5.883 9.729 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.115 6.782 10.953 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.851 4.822 9.954 1.00 0.00 C ATOM 0 H LEU A 26 -7.198 4.616 7.912 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.786 6.503 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.565 4.554 10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.081 4.639 8.423 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.590 6.519 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.158 7.227 11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.829 7.572 10.720 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.490 6.189 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.920 5.307 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.169 4.141 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.694 4.261 9.033 1.00 0.00 H new ATOM 343 N HIS A 27 -5.998 7.396 6.981 1.00 0.00 N ATOM 344 CA HIS A 27 -5.616 8.531 6.158 1.00 0.00 C ATOM 345 C HIS A 27 -6.630 9.663 6.343 1.00 0.00 C ATOM 346 O HIS A 27 -6.248 10.820 6.514 1.00 0.00 O ATOM 347 CB HIS A 27 -5.457 8.112 4.695 1.00 0.00 C ATOM 348 CG HIS A 27 -5.318 9.270 3.736 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.286 10.188 3.813 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.091 9.648 2.677 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.441 11.075 2.842 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.560 10.739 2.139 1.00 0.00 N ATOM 0 H HIS A 27 -6.269 6.562 6.459 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.643 8.905 6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.580 7.471 4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.320 7.514 4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.983 9.145 2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.795 11.917 2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.928 11.243 1.332 1.00 0.00 H new ATOM 361 N GLU A 28 -7.900 9.289 6.303 1.00 0.00 N ATOM 362 CA GLU A 28 -8.970 10.259 6.464 1.00 0.00 C ATOM 363 C GLU A 28 -8.955 10.835 7.881 1.00 0.00 C ATOM 364 O GLU A 28 -9.451 11.936 8.112 1.00 0.00 O ATOM 365 CB GLU A 28 -10.328 9.634 6.141 1.00 0.00 C ATOM 366 CG GLU A 28 -10.172 8.176 5.702 1.00 0.00 C ATOM 367 CD GLU A 28 -11.517 7.584 5.275 1.00 0.00 C ATOM 368 OE1 GLU A 28 -11.885 7.799 4.100 1.00 0.00 O ATOM 369 OE2 GLU A 28 -12.147 6.931 6.134 1.00 0.00 O ATOM 0 H GLU A 28 -8.212 8.328 6.162 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.805 11.074 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.974 9.686 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.816 10.205 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.465 8.115 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.756 7.589 6.521 1.00 0.00 H new ATOM 376 N ASP A 29 -8.381 10.064 8.793 1.00 0.00 N ATOM 377 CA ASP A 29 -8.294 10.484 10.182 1.00 0.00 C ATOM 378 C ASP A 29 -7.078 11.395 10.359 1.00 0.00 C ATOM 379 O ASP A 29 -7.027 12.193 11.294 1.00 0.00 O ATOM 380 CB ASP A 29 -8.124 9.282 11.111 1.00 0.00 C ATOM 381 CG ASP A 29 -9.221 8.219 11.003 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.124 8.422 10.163 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.130 7.231 11.761 1.00 0.00 O ATOM 0 H ASP A 29 -7.971 9.151 8.597 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.216 11.007 10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.163 8.813 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.086 9.640 12.140 1.00 0.00 H new ATOM 388 N GLY A 30 -6.128 11.246 9.448 1.00 0.00 N ATOM 389 CA GLY A 30 -4.915 12.045 9.492 1.00 0.00 C ATOM 390 C GLY A 30 -3.944 11.508 10.545 1.00 0.00 C ATOM 391 O GLY A 30 -3.078 12.239 11.025 1.00 0.00 O ATOM 0 H GLY A 30 -6.174 10.583 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.436 12.039 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.166 13.081 9.718 1.00 0.00 H new ATOM 395 N GLU A 31 -4.119 10.236 10.872 1.00 0.00 N ATOM 396 CA GLU A 31 -3.268 9.594 11.858 1.00 0.00 C ATOM 397 C GLU A 31 -2.191 8.756 11.166 1.00 0.00 C ATOM 398 O GLU A 31 -2.128 8.712 9.938 1.00 0.00 O ATOM 399 CB GLU A 31 -4.094 8.737 12.820 1.00 0.00 C ATOM 400 CG GLU A 31 -4.565 9.561 14.020 1.00 0.00 C ATOM 401 CD GLU A 31 -3.410 9.837 14.984 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.513 8.969 15.059 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.450 10.910 15.625 1.00 0.00 O ATOM 0 H GLU A 31 -4.838 9.633 10.471 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.776 10.370 12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.956 8.324 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.497 7.893 13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.988 10.504 13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.359 9.028 14.542 1.00 0.00 H new ATOM 410 N THR A 32 -1.369 8.114 11.983 1.00 0.00 N ATOM 411 CA THR A 32 -0.299 7.281 11.464 1.00 0.00 C ATOM 412 C THR A 32 -0.239 5.953 12.224 1.00 0.00 C ATOM 413 O THR A 32 -1.036 5.717 13.130 1.00 0.00 O ATOM 414 CB THR A 32 1.003 8.082 11.539 1.00 0.00 C ATOM 415 OG1 THR A 32 1.195 8.302 12.933 1.00 0.00 O ATOM 416 CG2 THR A 32 0.858 9.490 10.956 1.00 0.00 C ATOM 0 H THR A 32 -1.423 8.154 13.001 1.00 0.00 H new ATOM 0 HA THR A 32 -0.476 7.016 10.422 1.00 0.00 H new ATOM 0 HB THR A 32 1.790 7.547 11.006 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.019 8.814 13.073 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.810 10.016 11.034 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.566 9.422 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.095 10.037 11.510 1.00 0.00 H new ATOM 424 N VAL A 33 0.714 5.123 11.827 1.00 0.00 N ATOM 425 CA VAL A 33 0.887 3.826 12.458 1.00 0.00 C ATOM 426 C VAL A 33 2.378 3.576 12.699 1.00 0.00 C ATOM 427 O VAL A 33 3.205 3.855 11.832 1.00 0.00 O ATOM 428 CB VAL A 33 0.228 2.738 11.609 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.190 3.143 11.203 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.078 2.412 10.380 1.00 0.00 C ATOM 0 H VAL A 33 1.374 5.324 11.076 1.00 0.00 H new ATOM 0 HA VAL A 33 0.392 3.805 13.429 1.00 0.00 H new ATOM 0 HB VAL A 33 0.158 1.836 12.217 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.636 2.352 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.793 3.302 12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.153 4.065 10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.587 1.636 9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.195 3.308 9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.059 2.060 10.699 1.00 0.00 H new ATOM 440 N GLY A 34 2.674 3.054 13.880 1.00 0.00 N ATOM 441 CA GLY A 34 4.050 2.764 14.245 1.00 0.00 C ATOM 442 C GLY A 34 4.840 4.054 14.477 1.00 0.00 C ATOM 443 O GLY A 34 4.268 5.079 14.843 1.00 0.00 O ATOM 0 H GLY A 34 1.985 2.824 14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.069 2.154 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.524 2.180 13.456 1.00 0.00 H new ATOM 447 N SER A 35 6.143 3.961 14.252 1.00 0.00 N ATOM 448 CA SER A 35 7.017 5.108 14.431 1.00 0.00 C ATOM 449 C SER A 35 7.279 5.780 13.083 1.00 0.00 C ATOM 450 O SER A 35 8.287 6.466 12.913 1.00 0.00 O ATOM 451 CB SER A 35 8.337 4.696 15.086 1.00 0.00 C ATOM 452 OG SER A 35 8.133 3.866 16.226 1.00 0.00 O ATOM 0 H SER A 35 6.614 3.109 13.947 1.00 0.00 H new ATOM 0 HA SER A 35 6.521 5.818 15.093 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.953 4.167 14.358 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.889 5.588 15.382 1.00 0.00 H new ATOM 0 HG SER A 35 9.000 3.624 16.614 1.00 0.00 H new ATOM 458 N ASN A 36 6.356 5.562 12.158 1.00 0.00 N ATOM 459 CA ASN A 36 6.475 6.140 10.830 1.00 0.00 C ATOM 460 C ASN A 36 5.341 7.143 10.610 1.00 0.00 C ATOM 461 O ASN A 36 4.665 7.537 11.560 1.00 0.00 O ATOM 462 CB ASN A 36 6.369 5.062 9.749 1.00 0.00 C ATOM 463 CG ASN A 36 7.750 4.692 9.206 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.777 5.132 9.695 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.717 3.860 8.168 1.00 0.00 N ATOM 0 H ASN A 36 5.522 4.993 12.302 1.00 0.00 H new ATOM 0 HA ASN A 36 7.448 6.627 10.761 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.887 4.175 10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.738 5.419 8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.587 3.553 7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.822 3.529 7.808 1.00 0.00 H new ATOM 472 N SER A 37 5.167 7.527 9.354 1.00 0.00 N ATOM 473 CA SER A 37 4.127 8.477 8.999 1.00 0.00 C ATOM 474 C SER A 37 3.193 7.863 7.954 1.00 0.00 C ATOM 475 O SER A 37 2.780 8.538 7.013 1.00 0.00 O ATOM 476 CB SER A 37 4.728 9.781 8.473 1.00 0.00 C ATOM 477 OG SER A 37 5.011 9.714 7.079 1.00 0.00 O ATOM 0 H SER A 37 5.729 7.197 8.569 1.00 0.00 H new ATOM 0 HA SER A 37 3.555 8.709 9.897 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.036 10.602 8.663 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.645 10.004 9.019 1.00 0.00 H new ATOM 0 HG SER A 37 4.177 9.577 6.582 1.00 0.00 H new ATOM 483 N TYR A 38 2.889 6.589 8.154 1.00 0.00 N ATOM 484 CA TYR A 38 2.012 5.877 7.241 1.00 0.00 C ATOM 485 C TYR A 38 0.564 5.903 7.737 1.00 0.00 C ATOM 486 O TYR A 38 0.317 5.876 8.942 1.00 0.00 O ATOM 487 CB TYR A 38 2.506 4.429 7.224 1.00 0.00 C ATOM 488 CG TYR A 38 3.893 4.252 6.603 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.873 5.197 6.823 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.163 3.147 5.823 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.179 5.031 6.238 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.468 2.979 5.238 1.00 0.00 C ATOM 493 CZ TYR A 38 6.412 3.930 5.475 1.00 0.00 C ATOM 494 OH TYR A 38 7.644 3.772 4.921 1.00 0.00 O ATOM 0 H TYR A 38 3.235 6.032 8.935 1.00 0.00 H new ATOM 0 HA TYR A 38 2.032 6.338 6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.526 4.051 8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.791 3.819 6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.661 6.062 7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.395 2.407 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.955 5.764 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.692 2.118 4.625 1.00 0.00 H new ATOM 0 HH TYR A 38 8.317 3.717 5.631 1.00 0.00 H new ATOM 504 N PRO A 39 -0.378 5.957 6.758 1.00 0.00 N ATOM 505 CA PRO A 39 0.001 5.985 5.356 1.00 0.00 C ATOM 506 C PRO A 39 0.538 7.361 4.960 1.00 0.00 C ATOM 507 O PRO A 39 0.742 8.222 5.817 1.00 0.00 O ATOM 508 CB PRO A 39 -1.261 5.601 4.601 1.00 0.00 C ATOM 509 CG PRO A 39 -2.412 5.825 5.568 1.00 0.00 C ATOM 510 CD PRO A 39 -1.824 5.991 6.960 1.00 0.00 C ATOM 0 HA PRO A 39 0.813 5.296 5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.380 6.210 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.221 4.561 4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.981 6.711 5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.102 4.981 5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.139 6.931 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.150 5.192 7.625 1.00 0.00 H new ATOM 518 N HIS A 40 0.754 7.527 3.664 1.00 0.00 N ATOM 519 CA HIS A 40 1.264 8.785 3.145 1.00 0.00 C ATOM 520 C HIS A 40 1.438 8.681 1.629 1.00 0.00 C ATOM 521 O HIS A 40 1.383 7.589 1.067 1.00 0.00 O ATOM 522 CB HIS A 40 2.555 9.186 3.864 1.00 0.00 C ATOM 523 CG HIS A 40 3.733 8.293 3.553 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.518 8.453 2.424 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.252 7.232 4.236 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.463 7.524 2.436 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.295 6.768 3.559 1.00 0.00 N ATOM 0 H HIS A 40 0.585 6.811 2.957 1.00 0.00 H new ATOM 0 HA HIS A 40 0.546 9.581 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.807 10.211 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.378 9.176 4.940 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.391 9.165 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.878 6.837 5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.231 7.389 1.688 1.00 0.00 H new ATOM 536 N LYS A 41 1.644 9.835 1.009 1.00 0.00 N ATOM 537 CA LYS A 41 1.827 9.888 -0.431 1.00 0.00 C ATOM 538 C LYS A 41 2.799 8.787 -0.860 1.00 0.00 C ATOM 539 O LYS A 41 3.543 8.256 -0.035 1.00 0.00 O ATOM 540 CB LYS A 41 2.256 11.290 -0.866 1.00 0.00 C ATOM 541 CG LYS A 41 2.083 11.474 -2.376 1.00 0.00 C ATOM 542 CD LYS A 41 0.605 11.424 -2.768 1.00 0.00 C ATOM 543 CE LYS A 41 0.408 11.865 -4.220 1.00 0.00 C ATOM 544 NZ LYS A 41 0.372 13.341 -4.313 1.00 0.00 N ATOM 0 H LYS A 41 1.688 10.740 1.478 1.00 0.00 H new ATOM 0 HA LYS A 41 0.883 9.696 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.665 12.036 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.298 11.456 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.512 12.428 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.630 10.695 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.224 10.411 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.027 12.070 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.217 11.475 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.520 11.447 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.147 13.622 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.106 13.730 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.343 13.710 -4.360 1.00 0.00 H new ATOM 558 N TYR A 42 2.764 8.478 -2.147 1.00 0.00 N ATOM 559 CA TYR A 42 3.633 7.450 -2.694 1.00 0.00 C ATOM 560 C TYR A 42 4.055 7.793 -4.124 1.00 0.00 C ATOM 561 O TYR A 42 4.613 6.953 -4.829 1.00 0.00 O ATOM 562 CB TYR A 42 2.805 6.163 -2.714 1.00 0.00 C ATOM 563 CG TYR A 42 3.432 5.032 -3.532 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.162 4.925 -4.881 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.268 4.119 -2.921 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.753 3.861 -5.651 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.858 3.056 -3.690 1.00 0.00 C ATOM 568 CZ TYR A 42 4.571 2.978 -5.018 1.00 0.00 C ATOM 569 OH TYR A 42 5.128 1.974 -5.745 1.00 0.00 O ATOM 0 H TYR A 42 2.147 8.921 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 42 4.538 7.355 -2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.661 5.820 -1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.817 6.385 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.508 5.639 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.479 4.203 -1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.551 3.766 -6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.514 2.336 -3.224 1.00 0.00 H new ATOM 0 HH TYR A 42 5.590 2.351 -6.523 1.00 0.00 H new ATOM 579 N ASN A 43 3.774 9.028 -4.510 1.00 0.00 N ATOM 580 CA ASN A 43 4.117 9.493 -5.843 1.00 0.00 C ATOM 581 C ASN A 43 4.958 8.428 -6.549 1.00 0.00 C ATOM 582 O ASN A 43 6.186 8.473 -6.507 1.00 0.00 O ATOM 583 CB ASN A 43 4.940 10.781 -5.783 1.00 0.00 C ATOM 584 CG ASN A 43 4.056 12.009 -6.015 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.519 12.225 -7.089 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.936 12.797 -4.951 1.00 0.00 N ATOM 0 H ASN A 43 3.312 9.722 -3.922 1.00 0.00 H new ATOM 0 HA ASN A 43 3.189 9.683 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.429 10.859 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.728 10.749 -6.535 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.367 13.642 -5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.413 12.557 -4.082 1.00 0.00 H new ATOM 593 N ASN A 44 4.262 7.494 -7.182 1.00 0.00 N ATOM 594 CA ASN A 44 4.930 6.419 -7.895 1.00 0.00 C ATOM 595 C ASN A 44 5.942 7.014 -8.876 1.00 0.00 C ATOM 596 O ASN A 44 5.974 8.227 -9.081 1.00 0.00 O ATOM 597 CB ASN A 44 3.928 5.585 -8.699 1.00 0.00 C ATOM 598 CG ASN A 44 3.542 6.294 -9.998 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.544 6.990 -10.083 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.388 6.080 -11.003 1.00 0.00 N ATOM 0 H ASN A 44 3.243 7.460 -7.216 1.00 0.00 H new ATOM 0 HA ASN A 44 5.423 5.783 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.361 4.611 -8.927 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.036 5.405 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.219 6.510 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.205 5.486 -10.864 1.00 0.00 H new ATOM 607 N TYR A 45 6.745 6.135 -9.456 1.00 0.00 N ATOM 608 CA TYR A 45 7.756 6.558 -10.409 1.00 0.00 C ATOM 609 C TYR A 45 8.555 5.361 -10.930 1.00 0.00 C ATOM 610 O TYR A 45 8.828 5.266 -12.125 1.00 0.00 O ATOM 611 CB TYR A 45 8.697 7.489 -9.641 1.00 0.00 C ATOM 612 CG TYR A 45 8.411 8.976 -9.854 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.341 9.370 -10.634 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.221 9.926 -9.266 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.071 10.769 -10.834 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.951 11.326 -9.467 1.00 0.00 C ATOM 617 CZ TYR A 45 7.890 11.679 -10.240 1.00 0.00 C ATOM 618 OH TYR A 45 7.635 13.002 -10.430 1.00 0.00 O ATOM 0 H TYR A 45 6.716 5.130 -9.284 1.00 0.00 H new ATOM 0 HA TYR A 45 7.293 7.046 -11.267 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.625 7.264 -8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.724 7.280 -9.942 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.706 8.627 -11.094 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.057 9.619 -8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.238 11.089 -11.442 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.578 12.079 -9.013 1.00 0.00 H new ATOM 0 HH TYR A 45 8.299 13.536 -9.946 1.00 0.00 H new ATOM 628 N GLU A 46 8.905 4.478 -10.007 1.00 0.00 N ATOM 629 CA GLU A 46 9.668 3.292 -10.358 1.00 0.00 C ATOM 630 C GLU A 46 9.101 2.654 -11.628 1.00 0.00 C ATOM 631 O GLU A 46 9.791 1.894 -12.306 1.00 0.00 O ATOM 632 CB GLU A 46 9.685 2.290 -9.201 1.00 0.00 C ATOM 633 CG GLU A 46 10.363 2.889 -7.967 1.00 0.00 C ATOM 634 CD GLU A 46 11.358 3.981 -8.363 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.500 3.610 -8.709 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.953 5.163 -8.312 1.00 0.00 O ATOM 0 H GLU A 46 8.675 4.560 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 46 10.698 3.590 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.665 1.997 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.211 1.385 -9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.609 3.305 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.880 2.104 -7.415 1.00 0.00 H new ATOM 643 N GLY A 47 7.851 2.986 -11.911 1.00 0.00 N ATOM 644 CA GLY A 47 7.184 2.454 -13.087 1.00 0.00 C ATOM 645 C GLY A 47 5.971 1.608 -12.695 1.00 0.00 C ATOM 646 O GLY A 47 5.876 0.441 -13.073 1.00 0.00 O ATOM 0 H GLY A 47 7.282 3.617 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.867 3.274 -13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.883 1.848 -13.663 1.00 0.00 H new ATOM 650 N PHE A 48 5.074 2.230 -11.943 1.00 0.00 N ATOM 651 CA PHE A 48 3.872 1.547 -11.495 1.00 0.00 C ATOM 652 C PHE A 48 2.668 1.939 -12.355 1.00 0.00 C ATOM 653 O PHE A 48 2.440 3.121 -12.610 1.00 0.00 O ATOM 654 CB PHE A 48 3.618 1.988 -10.053 1.00 0.00 C ATOM 655 CG PHE A 48 4.628 1.433 -9.046 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.464 0.181 -8.539 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.689 2.190 -8.659 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.401 -0.334 -7.605 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.625 1.674 -7.725 1.00 0.00 C ATOM 660 CZ PHE A 48 6.462 0.423 -7.217 1.00 0.00 C ATOM 0 H PHE A 48 5.156 3.198 -11.633 1.00 0.00 H new ATOM 0 HA PHE A 48 4.006 0.468 -11.573 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.636 3.077 -10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.617 1.674 -9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.622 -0.421 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.820 3.183 -9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.271 -1.328 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.468 2.276 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.174 0.031 -6.506 1.00 0.00 H new ATOM 670 N ASP A 49 1.928 0.925 -12.778 1.00 0.00 N ATOM 671 CA ASP A 49 0.753 1.148 -13.603 1.00 0.00 C ATOM 672 C ASP A 49 -0.490 1.186 -12.713 1.00 0.00 C ATOM 673 O ASP A 49 -1.306 0.265 -12.740 1.00 0.00 O ATOM 674 CB ASP A 49 0.572 0.020 -14.620 1.00 0.00 C ATOM 675 CG ASP A 49 1.867 -0.659 -15.071 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.894 0.051 -15.115 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.801 -1.874 -15.361 1.00 0.00 O ATOM 0 H ASP A 49 2.119 -0.054 -12.565 1.00 0.00 H new ATOM 0 HA ASP A 49 0.886 2.092 -14.131 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.085 -0.735 -14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.065 0.421 -15.498 1.00 0.00 H new ATOM 682 N PHE A 50 -0.597 2.260 -11.944 1.00 0.00 N ATOM 683 CA PHE A 50 -1.727 2.429 -11.047 1.00 0.00 C ATOM 684 C PHE A 50 -2.978 2.860 -11.817 1.00 0.00 C ATOM 685 O PHE A 50 -3.080 4.005 -12.252 1.00 0.00 O ATOM 686 CB PHE A 50 -1.349 3.531 -10.055 1.00 0.00 C ATOM 687 CG PHE A 50 -0.256 3.128 -9.065 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.124 1.826 -8.963 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.338 4.072 -8.285 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.139 1.453 -8.043 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.354 3.699 -7.367 1.00 0.00 C ATOM 692 CZ PHE A 50 1.733 2.397 -7.265 1.00 0.00 C ATOM 0 H PHE A 50 0.081 3.022 -11.924 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.948 1.487 -10.545 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.016 4.408 -10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.239 3.825 -9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.346 1.076 -9.582 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.036 5.106 -8.365 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.440 0.419 -7.961 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.826 4.449 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.506 2.113 -6.566 1.00 0.00 H new ATOM 702 N SER A 51 -3.898 1.917 -11.959 1.00 0.00 N ATOM 703 CA SER A 51 -5.138 2.184 -12.669 1.00 0.00 C ATOM 704 C SER A 51 -6.063 3.039 -11.801 1.00 0.00 C ATOM 705 O SER A 51 -7.284 2.979 -11.942 1.00 0.00 O ATOM 706 CB SER A 51 -5.837 0.882 -13.066 1.00 0.00 C ATOM 707 OG SER A 51 -6.244 0.126 -11.928 1.00 0.00 O ATOM 0 H SER A 51 -3.810 0.968 -11.595 1.00 0.00 H new ATOM 0 HA SER A 51 -4.899 2.729 -13.582 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.708 1.111 -13.680 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.164 0.282 -13.679 1.00 0.00 H new ATOM 0 HG SER A 51 -6.688 -0.697 -12.223 1.00 0.00 H new ATOM 713 N VAL A 52 -5.447 3.817 -10.924 1.00 0.00 N ATOM 714 CA VAL A 52 -6.200 4.684 -10.033 1.00 0.00 C ATOM 715 C VAL A 52 -5.680 6.117 -10.162 1.00 0.00 C ATOM 716 O VAL A 52 -4.543 6.333 -10.580 1.00 0.00 O ATOM 717 CB VAL A 52 -6.132 4.150 -8.601 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.498 2.665 -8.552 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.751 4.395 -7.990 1.00 0.00 C ATOM 0 H VAL A 52 -4.434 3.865 -10.811 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.254 4.694 -10.312 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.864 4.695 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.442 2.310 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.512 2.527 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.802 2.098 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.729 4.006 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.993 3.889 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.545 5.465 -7.974 1.00 0.00 H new ATOM 729 N SER A 53 -6.536 7.059 -9.795 1.00 0.00 N ATOM 730 CA SER A 53 -6.175 8.465 -9.864 1.00 0.00 C ATOM 731 C SER A 53 -5.524 8.904 -8.551 1.00 0.00 C ATOM 732 O SER A 53 -5.880 8.411 -7.483 1.00 0.00 O ATOM 733 CB SER A 53 -7.399 9.333 -10.166 1.00 0.00 C ATOM 734 OG SER A 53 -7.033 10.640 -10.601 1.00 0.00 O ATOM 0 H SER A 53 -7.478 6.877 -9.449 1.00 0.00 H new ATOM 0 HA SER A 53 -5.461 8.595 -10.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.004 8.852 -10.934 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.019 9.409 -9.273 1.00 0.00 H new ATOM 0 HG SER A 53 -7.842 11.162 -10.785 1.00 0.00 H new ATOM 740 N SER A 54 -4.581 9.827 -8.675 1.00 0.00 N ATOM 741 CA SER A 54 -3.877 10.337 -7.511 1.00 0.00 C ATOM 742 C SER A 54 -4.823 11.184 -6.657 1.00 0.00 C ATOM 743 O SER A 54 -5.945 11.473 -7.068 1.00 0.00 O ATOM 744 CB SER A 54 -2.655 11.161 -7.924 1.00 0.00 C ATOM 745 OG SER A 54 -2.951 12.553 -8.000 1.00 0.00 O ATOM 0 H SER A 54 -4.289 10.234 -9.563 1.00 0.00 H new ATOM 0 HA SER A 54 -3.528 9.488 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.850 11.000 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.294 10.814 -8.892 1.00 0.00 H new ATOM 0 HG SER A 54 -2.146 13.045 -8.265 1.00 0.00 H new ATOM 751 N PRO A 55 -4.323 11.566 -5.452 1.00 0.00 N ATOM 752 CA PRO A 55 -2.983 11.179 -5.041 1.00 0.00 C ATOM 753 C PRO A 55 -2.940 9.706 -4.631 1.00 0.00 C ATOM 754 O PRO A 55 -3.964 9.128 -4.269 1.00 0.00 O ATOM 755 CB PRO A 55 -2.633 12.123 -3.902 1.00 0.00 C ATOM 756 CG PRO A 55 -3.955 12.691 -3.410 1.00 0.00 C ATOM 757 CD PRO A 55 -5.016 12.373 -4.452 1.00 0.00 C ATOM 0 HA PRO A 55 -2.255 11.262 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.113 11.595 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.969 12.918 -4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.223 12.256 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.876 13.768 -3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.851 11.828 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.425 13.283 -4.891 1.00 0.00 H new ATOM 765 N TYR A 56 -1.744 9.140 -4.702 1.00 0.00 N ATOM 766 CA TYR A 56 -1.552 7.746 -4.342 1.00 0.00 C ATOM 767 C TYR A 56 -1.006 7.616 -2.919 1.00 0.00 C ATOM 768 O TYR A 56 0.008 8.224 -2.581 1.00 0.00 O ATOM 769 CB TYR A 56 -0.517 7.195 -5.325 1.00 0.00 C ATOM 770 CG TYR A 56 -0.992 7.169 -6.779 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.329 6.980 -7.065 1.00 0.00 C ATOM 772 CD2 TYR A 56 -0.083 7.334 -7.805 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.776 6.956 -8.434 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.531 7.310 -9.174 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.855 7.121 -9.421 1.00 0.00 C ATOM 776 OH TYR A 56 -2.277 7.098 -10.713 1.00 0.00 O ATOM 0 H TYR A 56 -0.898 9.623 -5.004 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.498 7.206 -4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.388 7.799 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.247 6.183 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.040 6.850 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.963 7.481 -7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.819 6.810 -8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.169 7.439 -9.986 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.235 7.300 -10.748 1.00 0.00 H new ATOM 786 N TYR A 57 -1.703 6.819 -2.122 1.00 0.00 N ATOM 787 CA TYR A 57 -1.301 6.603 -0.743 1.00 0.00 C ATOM 788 C TYR A 57 -0.705 5.205 -0.559 1.00 0.00 C ATOM 789 O TYR A 57 -1.343 4.205 -0.888 1.00 0.00 O ATOM 790 CB TYR A 57 -2.579 6.712 0.091 1.00 0.00 C ATOM 791 CG TYR A 57 -3.336 8.028 -0.102 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.707 9.107 -0.688 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.648 8.135 0.312 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.420 10.345 -0.869 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.362 9.374 0.130 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.712 10.417 -0.451 1.00 0.00 C ATOM 797 OH TYR A 57 -5.385 11.587 -0.622 1.00 0.00 O ATOM 0 H TYR A 57 -2.543 6.315 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.544 7.329 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.240 5.884 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.324 6.602 1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.680 9.023 -1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.140 7.291 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.939 11.197 -1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.390 9.471 0.448 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.925 12.303 -0.136 1.00 0.00 H new ATOM 807 N GLU A 58 0.511 5.179 -0.035 1.00 0.00 N ATOM 808 CA GLU A 58 1.200 3.921 0.196 1.00 0.00 C ATOM 809 C GLU A 58 0.921 3.416 1.614 1.00 0.00 C ATOM 810 O GLU A 58 0.923 4.194 2.566 1.00 0.00 O ATOM 811 CB GLU A 58 2.703 4.066 -0.048 1.00 0.00 C ATOM 812 CG GLU A 58 3.304 5.145 0.856 1.00 0.00 C ATOM 813 CD GLU A 58 4.815 5.259 0.643 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.517 4.304 1.038 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.233 6.300 0.092 1.00 0.00 O ATOM 0 H GLU A 58 1.037 6.009 0.236 1.00 0.00 H new ATOM 0 HA GLU A 58 0.820 3.185 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.199 3.113 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.883 4.320 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.830 6.104 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.097 4.907 1.899 1.00 0.00 H new ATOM 822 N TRP A 59 0.687 2.115 1.708 1.00 0.00 N ATOM 823 CA TRP A 59 0.408 1.497 2.993 1.00 0.00 C ATOM 824 C TRP A 59 0.780 0.016 2.897 1.00 0.00 C ATOM 825 O TRP A 59 0.607 -0.604 1.848 1.00 0.00 O ATOM 826 CB TRP A 59 -1.050 1.721 3.404 1.00 0.00 C ATOM 827 CG TRP A 59 -1.511 0.840 4.567 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.096 -0.365 4.507 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.402 1.145 5.972 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.370 -0.856 5.767 1.00 0.00 N ATOM 831 CE2 TRP A 59 -1.935 0.092 6.686 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.870 2.275 6.620 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -1.989 0.063 8.085 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.932 2.230 8.017 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.465 1.177 8.752 1.00 0.00 C ATOM 0 H TRP A 59 0.685 1.472 0.916 1.00 0.00 H new ATOM 0 HA TRP A 59 1.007 1.956 3.779 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.182 2.767 3.679 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.692 1.534 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.324 -0.885 3.589 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.811 -1.750 5.984 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.447 3.111 6.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.412 -0.774 8.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.538 3.074 8.564 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.475 1.218 9.831 1.00 0.00 H new ATOM 846 N PRO A 60 1.298 -0.522 4.033 1.00 0.00 N ATOM 847 CA PRO A 60 1.696 -1.918 4.086 1.00 0.00 C ATOM 848 C PRO A 60 0.474 -2.835 4.169 1.00 0.00 C ATOM 849 O PRO A 60 -0.532 -2.479 4.780 1.00 0.00 O ATOM 850 CB PRO A 60 2.601 -2.023 5.303 1.00 0.00 C ATOM 851 CG PRO A 60 2.304 -0.796 6.150 1.00 0.00 C ATOM 852 CD PRO A 60 1.517 0.182 5.293 1.00 0.00 C ATOM 0 HA PRO A 60 2.221 -2.240 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.403 -2.939 5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.650 -2.050 5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.733 -1.073 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.230 -0.339 6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.572 0.451 5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.071 1.108 5.138 1.00 0.00 H new ATOM 860 N ILE A 61 0.601 -3.996 3.544 1.00 0.00 N ATOM 861 CA ILE A 61 -0.480 -4.966 3.539 1.00 0.00 C ATOM 862 C ILE A 61 -0.026 -6.233 4.266 1.00 0.00 C ATOM 863 O ILE A 61 0.871 -6.934 3.799 1.00 0.00 O ATOM 864 CB ILE A 61 -0.967 -5.217 2.111 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.145 -6.195 2.097 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.179 -5.689 1.216 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.432 -6.689 0.679 1.00 0.00 C ATOM 0 H ILE A 61 1.437 -4.287 3.037 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.342 -4.579 4.082 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.327 -4.273 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.925 -7.044 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.032 -5.707 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.195 -5.860 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.958 -4.927 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.592 -6.617 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.273 -7.382 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.676 -5.840 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.552 -7.198 0.286 1.00 0.00 H new ATOM 879 N LEU A 62 -0.666 -6.490 5.398 1.00 0.00 N ATOM 880 CA LEU A 62 -0.339 -7.661 6.193 1.00 0.00 C ATOM 881 C LEU A 62 -1.068 -8.880 5.623 1.00 0.00 C ATOM 882 O LEU A 62 -2.296 -8.905 5.572 1.00 0.00 O ATOM 883 CB LEU A 62 -0.636 -7.403 7.673 1.00 0.00 C ATOM 884 CG LEU A 62 0.150 -6.265 8.326 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.434 -5.910 9.694 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.639 -6.605 8.410 1.00 0.00 C ATOM 0 H LEU A 62 -1.409 -5.907 5.783 1.00 0.00 H new ATOM 0 HA LEU A 62 0.729 -7.873 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.700 -7.190 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.438 -8.320 8.228 1.00 0.00 H new ATOM 0 HG LEU A 62 0.056 -5.380 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.143 -5.098 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.471 -5.596 9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.391 -6.783 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.175 -5.779 8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.773 -7.508 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.032 -6.770 7.407 1.00 0.00 H new ATOM 898 N SER A 63 -0.279 -9.860 5.209 1.00 0.00 N ATOM 899 CA SER A 63 -0.833 -11.079 4.644 1.00 0.00 C ATOM 900 C SER A 63 -1.799 -11.724 5.639 1.00 0.00 C ATOM 901 O SER A 63 -2.583 -12.598 5.272 1.00 0.00 O ATOM 902 CB SER A 63 0.274 -12.064 4.264 1.00 0.00 C ATOM 903 OG SER A 63 0.465 -12.134 2.853 1.00 0.00 O ATOM 0 H SER A 63 0.740 -9.835 5.253 1.00 0.00 H new ATOM 0 HA SER A 63 -1.376 -10.819 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.207 -11.763 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.025 -13.054 4.646 1.00 0.00 H new ATOM 0 HG SER A 63 1.008 -11.374 2.558 1.00 0.00 H new ATOM 909 N SER A 64 -1.712 -11.269 6.880 1.00 0.00 N ATOM 910 CA SER A 64 -2.568 -11.792 7.931 1.00 0.00 C ATOM 911 C SER A 64 -3.949 -11.135 7.856 1.00 0.00 C ATOM 912 O SER A 64 -4.921 -11.663 8.395 1.00 0.00 O ATOM 913 CB SER A 64 -1.948 -11.564 9.312 1.00 0.00 C ATOM 914 OG SER A 64 -1.123 -12.655 9.712 1.00 0.00 O ATOM 0 H SER A 64 -1.061 -10.544 7.181 1.00 0.00 H new ATOM 0 HA SER A 64 -2.674 -12.867 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.357 -10.648 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.741 -11.420 10.046 1.00 0.00 H new ATOM 0 HG SER A 64 -0.744 -12.471 10.597 1.00 0.00 H new ATOM 920 N GLY A 65 -3.991 -9.995 7.181 1.00 0.00 N ATOM 921 CA GLY A 65 -5.237 -9.262 7.029 1.00 0.00 C ATOM 922 C GLY A 65 -5.464 -8.316 8.209 1.00 0.00 C ATOM 923 O GLY A 65 -6.602 -8.092 8.619 1.00 0.00 O ATOM 0 H GLY A 65 -3.183 -9.561 6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.217 -8.692 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.069 -9.963 6.955 1.00 0.00 H new ATOM 927 N ASP A 66 -4.364 -7.785 8.721 1.00 0.00 N ATOM 928 CA ASP A 66 -4.429 -6.867 9.846 1.00 0.00 C ATOM 929 C ASP A 66 -4.102 -5.452 9.363 1.00 0.00 C ATOM 930 O ASP A 66 -3.952 -5.220 8.165 1.00 0.00 O ATOM 931 CB ASP A 66 -3.413 -7.245 10.925 1.00 0.00 C ATOM 932 CG ASP A 66 -3.753 -8.509 11.717 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.239 -9.467 11.078 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.518 -8.489 12.945 1.00 0.00 O ATOM 0 H ASP A 66 -3.422 -7.973 8.378 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.434 -6.917 10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.439 -7.380 10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.318 -6.412 11.622 1.00 0.00 H new ATOM 939 N VAL A 67 -4.001 -4.544 10.322 1.00 0.00 N ATOM 940 CA VAL A 67 -3.693 -3.158 10.010 1.00 0.00 C ATOM 941 C VAL A 67 -2.300 -2.817 10.541 1.00 0.00 C ATOM 942 O VAL A 67 -2.117 -2.637 11.744 1.00 0.00 O ATOM 943 CB VAL A 67 -4.786 -2.242 10.567 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.295 -0.796 10.657 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.062 -2.338 9.728 1.00 0.00 C ATOM 0 H VAL A 67 -4.127 -4.740 11.315 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.676 -3.004 8.931 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.024 -2.578 11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.090 -0.166 11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.428 -0.746 11.316 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.016 -0.444 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.822 -1.678 10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.846 -2.040 8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.428 -3.365 9.738 1.00 0.00 H new ATOM 955 N TYR A 68 -1.352 -2.739 9.618 1.00 0.00 N ATOM 956 CA TYR A 68 0.019 -2.423 9.978 1.00 0.00 C ATOM 957 C TYR A 68 0.069 -1.298 11.013 1.00 0.00 C ATOM 958 O TYR A 68 0.033 -0.121 10.658 1.00 0.00 O ATOM 959 CB TYR A 68 0.694 -1.946 8.691 1.00 0.00 C ATOM 960 CG TYR A 68 1.826 -0.941 8.917 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.973 -1.332 9.575 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.699 0.355 8.461 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.039 -0.387 9.788 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.764 1.300 8.673 1.00 0.00 C ATOM 965 CZ TYR A 68 3.881 0.882 9.327 1.00 0.00 C ATOM 966 OH TYR A 68 4.887 1.775 9.527 1.00 0.00 O ATOM 0 H TYR A 68 -1.507 -2.889 8.621 1.00 0.00 H new ATOM 0 HA TYR A 68 0.512 -3.293 10.411 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.091 -2.811 8.159 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.058 -1.492 8.045 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.072 -2.347 9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.801 0.660 7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.943 -0.680 10.302 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.678 2.317 8.321 1.00 0.00 H new ATOM 0 HH TYR A 68 4.636 2.642 9.144 1.00 0.00 H new ATOM 976 N SER A 69 0.151 -1.699 12.274 1.00 0.00 N ATOM 977 CA SER A 69 0.206 -0.739 13.362 1.00 0.00 C ATOM 978 C SER A 69 1.657 -0.517 13.792 1.00 0.00 C ATOM 979 O SER A 69 1.922 0.220 14.741 1.00 0.00 O ATOM 980 CB SER A 69 -0.634 -1.206 14.553 1.00 0.00 C ATOM 981 OG SER A 69 -0.039 -2.314 15.224 1.00 0.00 O ATOM 0 H SER A 69 0.181 -2.676 12.565 1.00 0.00 H new ATOM 0 HA SER A 69 -0.209 0.204 13.006 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.758 -0.381 15.255 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.630 -1.483 14.208 1.00 0.00 H new ATOM 0 HG SER A 69 -0.604 -2.581 15.979 1.00 0.00 H new ATOM 987 N GLY A 70 2.560 -1.168 13.072 1.00 0.00 N ATOM 988 CA GLY A 70 3.978 -1.050 13.366 1.00 0.00 C ATOM 989 C GLY A 70 4.638 0.002 12.474 1.00 0.00 C ATOM 990 O GLY A 70 3.962 0.876 11.934 1.00 0.00 O ATOM 0 H GLY A 70 2.337 -1.779 12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.114 -0.781 14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.465 -2.014 13.218 1.00 0.00 H new ATOM 994 N GLY A 71 5.952 -0.118 12.346 1.00 0.00 N ATOM 995 CA GLY A 71 6.711 0.812 11.527 1.00 0.00 C ATOM 996 C GLY A 71 7.883 0.108 10.840 1.00 0.00 C ATOM 997 O GLY A 71 8.904 0.730 10.553 1.00 0.00 O ATOM 0 H GLY A 71 6.509 -0.844 12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.058 1.257 10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.085 1.627 12.147 1.00 0.00 H new ATOM 1001 N SER A 72 7.695 -1.181 10.595 1.00 0.00 N ATOM 1002 CA SER A 72 8.723 -1.978 9.947 1.00 0.00 C ATOM 1003 C SER A 72 8.078 -3.058 9.078 1.00 0.00 C ATOM 1004 O SER A 72 8.423 -4.234 9.186 1.00 0.00 O ATOM 1005 CB SER A 72 9.659 -2.613 10.978 1.00 0.00 C ATOM 1006 OG SER A 72 9.026 -3.669 11.694 1.00 0.00 O ATOM 0 H SER A 72 6.846 -1.693 10.834 1.00 0.00 H new ATOM 0 HA SER A 72 9.318 -1.320 9.314 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.546 -2.997 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.996 -1.850 11.680 1.00 0.00 H new ATOM 0 HG SER A 72 8.710 -4.349 11.063 1.00 0.00 H new ATOM 1012 N PRO A 73 7.129 -2.610 8.214 1.00 0.00 N ATOM 1013 CA PRO A 73 6.431 -3.526 7.327 1.00 0.00 C ATOM 1014 C PRO A 73 7.332 -3.957 6.168 1.00 0.00 C ATOM 1015 O PRO A 73 7.349 -5.129 5.793 1.00 0.00 O ATOM 1016 CB PRO A 73 5.196 -2.767 6.869 1.00 0.00 C ATOM 1017 CG PRO A 73 5.484 -1.300 7.143 1.00 0.00 C ATOM 1018 CD PRO A 73 6.694 -1.225 8.059 1.00 0.00 C ATOM 0 HA PRO A 73 6.149 -4.457 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.004 -2.936 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.310 -3.099 7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.677 -0.769 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.622 -0.823 7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.482 -0.609 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.436 -0.781 9.020 1.00 0.00 H new ATOM 1026 N GLY A 74 8.058 -2.988 5.631 1.00 0.00 N ATOM 1027 CA GLY A 74 8.959 -3.253 4.522 1.00 0.00 C ATOM 1028 C GLY A 74 8.773 -4.677 3.994 1.00 0.00 C ATOM 1029 O GLY A 74 9.296 -5.630 4.571 1.00 0.00 O ATOM 0 H GLY A 74 8.041 -2.017 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.776 -2.537 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.991 -3.113 4.845 1.00 0.00 H new ATOM 1033 N ALA A 75 8.027 -4.777 2.903 1.00 0.00 N ATOM 1034 CA ALA A 75 7.768 -6.069 2.291 1.00 0.00 C ATOM 1035 C ALA A 75 6.490 -5.983 1.454 1.00 0.00 C ATOM 1036 O ALA A 75 6.544 -6.018 0.226 1.00 0.00 O ATOM 1037 CB ALA A 75 7.681 -7.142 3.379 1.00 0.00 C ATOM 0 H ALA A 75 7.594 -3.985 2.428 1.00 0.00 H new ATOM 0 HA ALA A 75 8.583 -6.348 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.487 -8.111 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.623 -7.182 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.872 -6.898 4.067 1.00 0.00 H new ATOM 1043 N ASP A 76 5.369 -5.873 2.153 1.00 0.00 N ATOM 1044 CA ASP A 76 4.080 -5.782 1.490 1.00 0.00 C ATOM 1045 C ASP A 76 3.466 -4.406 1.761 1.00 0.00 C ATOM 1046 O ASP A 76 3.429 -3.954 2.905 1.00 0.00 O ATOM 1047 CB ASP A 76 3.112 -6.842 2.018 1.00 0.00 C ATOM 1048 CG ASP A 76 3.616 -8.284 1.918 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.165 -8.620 0.847 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.440 -9.017 2.915 1.00 0.00 O ATOM 0 H ASP A 76 5.328 -5.845 3.172 1.00 0.00 H new ATOM 0 HA ASP A 76 4.240 -5.938 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.890 -6.622 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.174 -6.762 1.469 1.00 0.00 H new ATOM 1055 N ARG A 77 3.001 -3.779 0.691 1.00 0.00 N ATOM 1056 CA ARG A 77 2.392 -2.464 0.800 1.00 0.00 C ATOM 1057 C ARG A 77 1.357 -2.265 -0.309 1.00 0.00 C ATOM 1058 O ARG A 77 1.572 -2.684 -1.446 1.00 0.00 O ATOM 1059 CB ARG A 77 3.446 -1.359 0.709 1.00 0.00 C ATOM 1060 CG ARG A 77 4.441 -1.454 1.868 1.00 0.00 C ATOM 1061 CD ARG A 77 4.238 -0.307 2.859 1.00 0.00 C ATOM 1062 NE ARG A 77 5.549 0.238 3.278 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.487 -0.472 3.920 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.266 -1.759 4.220 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.647 0.106 4.261 1.00 0.00 N ATOM 0 H ARG A 77 3.034 -4.157 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 77 1.904 -2.405 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.978 -1.436 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.958 -0.384 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.318 -2.408 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.460 -1.429 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.638 0.479 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.687 -0.661 3.730 1.00 0.00 H new ATOM 0 HE ARG A 77 5.751 1.215 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.383 -2.199 3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.980 -2.299 4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.815 1.086 4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.361 -0.434 4.750 1.00 0.00 H new ATOM 1079 N VAL A 78 0.257 -1.626 0.059 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.811 -1.365 -0.890 1.00 0.00 C ATOM 1081 C VAL A 78 -0.921 0.142 -1.128 1.00 0.00 C ATOM 1082 O VAL A 78 -1.111 0.910 -0.187 1.00 0.00 O ATOM 1083 CB VAL A 78 -2.117 -1.989 -0.393 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.136 -3.498 -0.648 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.343 -1.680 1.088 1.00 0.00 C ATOM 0 H VAL A 78 0.082 -1.281 1.003 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.589 -1.830 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.937 -1.544 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.075 -3.916 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.043 -3.687 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.303 -3.966 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.278 -2.135 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.518 -2.084 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.395 -0.601 1.231 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.798 0.520 -2.392 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.881 1.921 -2.765 1.00 0.00 C ATOM 1097 C VAL A 79 -2.307 2.240 -3.219 1.00 0.00 C ATOM 1098 O VAL A 79 -2.900 1.486 -3.990 1.00 0.00 O ATOM 1099 CB VAL A 79 0.171 2.244 -3.828 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.006 3.673 -4.348 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.584 2.017 -3.287 1.00 0.00 C ATOM 0 H VAL A 79 -0.641 -0.120 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.662 2.557 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 79 0.019 1.564 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.766 3.876 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.984 3.787 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.117 4.376 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.313 2.254 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.751 2.661 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.697 0.974 -2.989 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.816 3.359 -2.724 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.161 3.786 -3.070 1.00 0.00 C ATOM 1113 C PHE A 80 -4.258 5.313 -3.108 1.00 0.00 C ATOM 1114 O PHE A 80 -3.247 6.000 -3.247 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.093 3.255 -1.979 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.878 3.900 -0.608 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.741 3.643 0.094 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.824 4.729 -0.091 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.541 4.241 1.366 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.624 5.328 1.181 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.487 5.072 1.882 1.00 0.00 C ATOM 0 H PHE A 80 -2.321 3.983 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.430 3.406 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.126 3.417 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.953 2.178 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.990 2.984 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.727 4.932 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.639 4.037 1.924 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.375 5.987 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.335 5.529 2.849 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.484 5.799 -2.982 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.727 7.231 -3.001 1.00 0.00 C ATOM 1133 C ASN A 81 -6.777 7.580 -1.945 1.00 0.00 C ATOM 1134 O ASN A 81 -7.171 6.727 -1.151 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.257 7.682 -4.363 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.843 6.704 -5.464 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.962 6.969 -6.266 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.524 5.563 -5.458 1.00 0.00 N ATOM 0 H ASN A 81 -6.320 5.226 -2.866 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.783 7.736 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.344 7.756 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.877 8.677 -4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.322 4.845 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.249 5.406 -4.758 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.201 8.835 -1.970 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.199 9.307 -1.025 1.00 0.00 C ATOM 1147 C GLU A 82 -9.606 9.021 -1.551 1.00 0.00 C ATOM 1148 O GLU A 82 -10.591 9.515 -1.003 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.014 10.798 -0.733 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.325 11.429 -0.256 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.077 12.810 0.356 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.765 12.846 1.566 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.207 13.796 -0.400 1.00 0.00 O ATOM 0 H GLU A 82 -6.872 9.540 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.068 8.767 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.244 10.931 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.666 11.308 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.017 11.517 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.798 10.780 0.481 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.657 8.226 -2.610 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.928 7.868 -3.216 1.00 0.00 C ATOM 1162 C ASN A 83 -11.315 6.453 -2.784 1.00 0.00 C ATOM 1163 O ASN A 83 -12.493 6.096 -2.795 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.834 7.886 -4.744 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.374 7.897 -5.202 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.738 8.933 -5.306 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.882 6.692 -5.471 1.00 0.00 N ATOM 0 H ASN A 83 -8.839 7.820 -3.064 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.672 8.595 -2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.341 7.012 -5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.348 8.765 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.917 6.594 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.470 5.865 -5.363 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.302 5.684 -2.411 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.522 4.316 -1.974 1.00 0.00 C ATOM 1176 C ASN A 84 -10.109 3.356 -3.092 1.00 0.00 C ATOM 1177 O ASN A 84 -10.587 2.225 -3.150 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.998 4.068 -1.659 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.775 3.702 -2.925 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.793 3.030 -2.887 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.240 4.179 -4.045 1.00 0.00 N ATOM 0 H ASN A 84 -9.327 5.983 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.929 4.150 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.087 3.264 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.432 4.960 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.684 3.989 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.386 4.735 -4.006 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.227 3.844 -3.952 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.746 3.044 -5.065 1.00 0.00 C ATOM 1190 C GLN A 85 -7.321 2.557 -4.791 1.00 0.00 C ATOM 1191 O GLN A 85 -6.468 3.333 -4.363 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.814 3.830 -6.376 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.262 4.170 -6.737 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.320 5.121 -7.934 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.838 4.800 -8.990 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.760 6.307 -7.710 1.00 0.00 N ATOM 0 H GLN A 85 -8.833 4.783 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.394 2.174 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.233 4.748 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.363 3.246 -7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.807 3.255 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.756 4.628 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.343 6.511 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.747 7.012 -8.447 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.109 1.275 -5.049 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.802 0.676 -4.836 1.00 0.00 C ATOM 1207 C LEU A 86 -4.931 0.908 -6.073 1.00 0.00 C ATOM 1208 O LEU A 86 -5.369 0.670 -7.198 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.945 -0.799 -4.453 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.581 -1.813 -5.539 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -5.718 -3.245 -5.019 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.408 -1.581 -6.805 1.00 0.00 C ATOM 0 H LEU A 86 -7.820 0.635 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.297 1.153 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.319 -0.990 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.977 -0.976 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.535 -1.666 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.454 -3.946 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.051 -3.389 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.747 -3.422 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.130 -2.315 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.468 -1.685 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.217 -0.578 -7.186 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.716 1.370 -5.823 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.779 1.637 -6.901 1.00 0.00 C ATOM 1226 C ALA A 87 -2.243 0.311 -7.445 1.00 0.00 C ATOM 1227 O ALA A 87 -2.136 0.130 -8.657 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.664 2.554 -6.395 1.00 0.00 C ATOM 0 H ALA A 87 -3.358 1.567 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.276 2.153 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.962 2.754 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.095 3.493 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.140 2.069 -5.571 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.918 -0.583 -6.521 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.395 -1.885 -6.893 1.00 0.00 C ATOM 1236 C GLY A 88 -0.989 -2.687 -5.654 1.00 0.00 C ATOM 1237 O GLY A 88 -1.693 -2.677 -4.646 1.00 0.00 O ATOM 0 H GLY A 88 -2.007 -0.430 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.148 -2.436 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.533 -1.761 -7.549 1.00 0.00 H new ATOM 1241 N VAL A 89 0.146 -3.361 -5.771 1.00 0.00 N ATOM 1242 CA VAL A 89 0.655 -4.165 -4.673 1.00 0.00 C ATOM 1243 C VAL A 89 2.184 -4.178 -4.722 1.00 0.00 C ATOM 1244 O VAL A 89 2.780 -5.053 -5.348 1.00 0.00 O ATOM 1245 CB VAL A 89 0.043 -5.567 -4.724 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.646 -6.467 -3.644 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.480 -5.504 -4.597 1.00 0.00 C ATOM 0 H VAL A 89 0.727 -3.367 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 89 0.364 -3.732 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 89 0.281 -6.002 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.194 -7.457 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.722 -6.549 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.452 -6.036 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.890 -6.513 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.747 -5.040 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.889 -4.914 -5.417 1.00 0.00 H new ATOM 1257 N ILE A 90 2.774 -3.198 -4.054 1.00 0.00 N ATOM 1258 CA ILE A 90 4.223 -3.087 -4.014 1.00 0.00 C ATOM 1259 C ILE A 90 4.768 -3.977 -2.895 1.00 0.00 C ATOM 1260 O ILE A 90 4.015 -4.427 -2.033 1.00 0.00 O ATOM 1261 CB ILE A 90 4.644 -1.621 -3.895 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.353 -1.080 -2.493 1.00 0.00 C ATOM 1263 CG2 ILE A 90 3.989 -0.771 -4.985 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.162 0.438 -2.521 1.00 0.00 C ATOM 0 H ILE A 90 2.276 -2.474 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 90 4.659 -3.445 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 90 5.722 -1.562 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.457 -1.556 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.174 -1.335 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.306 0.266 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.289 -1.142 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.905 -0.831 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.956 0.798 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.069 0.912 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.325 0.687 -3.173 1.00 0.00 H new ATOM 1276 N THR A 91 6.072 -4.203 -2.945 1.00 0.00 N ATOM 1277 CA THR A 91 6.727 -5.031 -1.946 1.00 0.00 C ATOM 1278 C THR A 91 8.240 -4.804 -1.974 1.00 0.00 C ATOM 1279 O THR A 91 8.765 -4.206 -2.912 1.00 0.00 O ATOM 1280 CB THR A 91 6.326 -6.486 -2.201 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.256 -7.242 -1.431 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.594 -6.923 -3.642 1.00 0.00 C ATOM 0 H THR A 91 6.693 -3.827 -3.662 1.00 0.00 H new ATOM 0 HA THR A 91 6.408 -4.762 -0.939 1.00 0.00 H new ATOM 0 HB THR A 91 5.268 -6.616 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.018 -7.184 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.292 -7.963 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.024 -6.293 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.657 -6.825 -3.860 1.00 0.00 H new ATOM 1290 N HIS A 92 8.899 -5.294 -0.934 1.00 0.00 N ATOM 1291 CA HIS A 92 10.340 -5.153 -0.827 1.00 0.00 C ATOM 1292 C HIS A 92 11.024 -6.377 -1.441 1.00 0.00 C ATOM 1293 O HIS A 92 12.168 -6.296 -1.885 1.00 0.00 O ATOM 1294 CB HIS A 92 10.757 -4.907 0.625 1.00 0.00 C ATOM 1295 CG HIS A 92 10.391 -3.537 1.145 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.303 -2.704 1.768 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.204 -2.865 1.127 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.682 -1.583 2.107 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.382 -1.685 1.710 1.00 0.00 N ATOM 0 H HIS A 92 8.460 -5.789 -0.158 1.00 0.00 H new ATOM 0 HA HIS A 92 10.665 -4.278 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.291 -5.661 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.835 -5.041 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.277 -3.230 0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.128 -0.737 2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.664 -0.972 1.839 1.00 0.00 H new ATOM 1308 N THR A 93 10.293 -7.482 -1.445 1.00 0.00 N ATOM 1309 CA THR A 93 10.813 -8.722 -1.996 1.00 0.00 C ATOM 1310 C THR A 93 11.268 -8.513 -3.442 1.00 0.00 C ATOM 1311 O THR A 93 12.018 -9.322 -3.984 1.00 0.00 O ATOM 1312 CB THR A 93 9.734 -9.795 -1.847 1.00 0.00 C ATOM 1313 OG1 THR A 93 10.053 -10.441 -0.617 1.00 0.00 O ATOM 1314 CG2 THR A 93 9.863 -10.904 -2.894 1.00 0.00 C ATOM 0 H THR A 93 9.344 -7.544 -1.075 1.00 0.00 H new ATOM 0 HA THR A 93 11.699 -9.055 -1.455 1.00 0.00 H new ATOM 0 HB THR A 93 8.750 -9.333 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.401 -11.151 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.073 -11.640 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.774 -10.475 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.834 -11.388 -2.793 1.00 0.00 H new ATOM 1322 N GLY A 94 10.794 -7.421 -4.026 1.00 0.00 N ATOM 1323 CA GLY A 94 11.142 -7.096 -5.398 1.00 0.00 C ATOM 1324 C GLY A 94 11.852 -5.744 -5.478 1.00 0.00 C ATOM 1325 O GLY A 94 11.727 -5.030 -6.472 1.00 0.00 O ATOM 0 H GLY A 94 10.172 -6.751 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.786 -7.874 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.240 -7.074 -6.010 1.00 0.00 H new ATOM 1329 N ALA A 95 12.581 -5.430 -4.417 1.00 0.00 N ATOM 1330 CA ALA A 95 13.311 -4.176 -4.353 1.00 0.00 C ATOM 1331 C ALA A 95 14.739 -4.445 -3.876 1.00 0.00 C ATOM 1332 O ALA A 95 14.947 -5.172 -2.906 1.00 0.00 O ATOM 1333 CB ALA A 95 12.567 -3.197 -3.444 1.00 0.00 C ATOM 0 H ALA A 95 12.682 -6.024 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 95 13.375 -3.719 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.115 -2.256 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.569 -3.016 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.485 -3.620 -2.443 1.00 0.00 H new ATOM 1339 N SER A 96 15.689 -3.846 -4.581 1.00 0.00 N ATOM 1340 CA SER A 96 17.091 -4.012 -4.241 1.00 0.00 C ATOM 1341 C SER A 96 17.502 -2.976 -3.193 1.00 0.00 C ATOM 1342 O SER A 96 18.655 -2.548 -3.157 1.00 0.00 O ATOM 1343 CB SER A 96 17.977 -3.891 -5.483 1.00 0.00 C ATOM 1344 OG SER A 96 19.363 -3.919 -5.155 1.00 0.00 O ATOM 0 H SER A 96 15.514 -3.245 -5.386 1.00 0.00 H new ATOM 0 HA SER A 96 17.226 -5.011 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 96 17.751 -4.706 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.746 -2.962 -6.004 1.00 0.00 H new ATOM 0 HG SER A 96 19.549 -3.250 -4.464 1.00 0.00 H new ATOM 1350 N GLY A 97 16.536 -2.602 -2.366 1.00 0.00 N ATOM 1351 CA GLY A 97 16.783 -1.624 -1.320 1.00 0.00 C ATOM 1352 C GLY A 97 15.496 -1.296 -0.562 1.00 0.00 C ATOM 1353 O GLY A 97 14.759 -2.197 -0.165 1.00 0.00 O ATOM 0 H GLY A 97 15.581 -2.959 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.530 -2.009 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.194 -0.714 -1.758 1.00 0.00 H new ATOM 1357 N ASN A 98 15.266 -0.004 -0.382 1.00 0.00 N ATOM 1358 CA ASN A 98 14.081 0.454 0.322 1.00 0.00 C ATOM 1359 C ASN A 98 12.979 0.770 -0.693 1.00 0.00 C ATOM 1360 O ASN A 98 11.857 1.098 -0.313 1.00 0.00 O ATOM 1361 CB ASN A 98 14.371 1.729 1.116 1.00 0.00 C ATOM 1362 CG ASN A 98 13.100 2.261 1.782 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.964 3.440 2.067 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.179 1.330 2.012 1.00 0.00 N ATOM 0 H ASN A 98 15.881 0.740 -0.712 1.00 0.00 H new ATOM 0 HA ASN A 98 13.770 -0.335 1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.126 1.525 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.784 2.489 0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.295 1.585 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.357 0.361 1.749 1.00 0.00 H new ATOM 1371 N ASN A 99 13.340 0.659 -1.963 1.00 0.00 N ATOM 1372 CA ASN A 99 12.397 0.927 -3.035 1.00 0.00 C ATOM 1373 C ASN A 99 11.270 -0.106 -2.988 1.00 0.00 C ATOM 1374 O ASN A 99 11.329 -1.060 -2.213 1.00 0.00 O ATOM 1375 CB ASN A 99 13.075 0.827 -4.402 1.00 0.00 C ATOM 1376 CG ASN A 99 13.242 -0.634 -4.825 1.00 0.00 C ATOM 1377 OD1 ASN A 99 12.494 -1.163 -5.632 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.262 -1.254 -4.238 1.00 0.00 N ATOM 0 H ASN A 99 14.273 0.387 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 99 12.009 1.936 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.482 1.359 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.050 1.312 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.457 -2.231 -4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.849 -0.752 -3.572 1.00 0.00 H new ATOM 1385 N PHE A 100 10.269 0.118 -3.827 1.00 0.00 N ATOM 1386 CA PHE A 100 9.130 -0.782 -3.892 1.00 0.00 C ATOM 1387 C PHE A 100 8.917 -1.296 -5.317 1.00 0.00 C ATOM 1388 O PHE A 100 9.495 -0.766 -6.264 1.00 0.00 O ATOM 1389 CB PHE A 100 7.901 0.021 -3.461 1.00 0.00 C ATOM 1390 CG PHE A 100 7.733 0.137 -1.945 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.504 -0.977 -1.199 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.811 1.354 -1.343 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.348 -0.869 0.209 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.656 1.462 0.064 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.427 0.347 0.810 1.00 0.00 C ATOM 0 H PHE A 100 10.223 0.910 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 100 9.299 -1.644 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.967 1.022 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.010 -0.446 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.441 -1.943 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.991 2.239 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.167 -1.753 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.720 2.428 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.308 0.429 1.880 1.00 0.00 H new ATOM 1405 N VAL A 101 8.085 -2.321 -5.424 1.00 0.00 N ATOM 1406 CA VAL A 101 7.788 -2.912 -6.717 1.00 0.00 C ATOM 1407 C VAL A 101 6.502 -3.735 -6.614 1.00 0.00 C ATOM 1408 O VAL A 101 6.320 -4.492 -5.662 1.00 0.00 O ATOM 1409 CB VAL A 101 8.984 -3.731 -7.206 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.247 -2.869 -7.273 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.205 -4.960 -6.322 1.00 0.00 C ATOM 0 H VAL A 101 7.607 -2.757 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 101 7.618 -2.134 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 101 8.762 -4.080 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.083 -3.475 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.086 -2.040 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.473 -2.478 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.061 -5.525 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.395 -4.642 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.316 -5.591 -6.347 1.00 0.00 H new ATOM 1421 N GLU A 102 5.643 -3.559 -7.608 1.00 0.00 N ATOM 1422 CA GLU A 102 4.380 -4.276 -7.641 1.00 0.00 C ATOM 1423 C GLU A 102 4.621 -5.782 -7.519 1.00 0.00 C ATOM 1424 O GLU A 102 5.400 -6.353 -8.280 1.00 0.00 O ATOM 1425 CB GLU A 102 3.595 -3.948 -8.913 1.00 0.00 C ATOM 1426 CG GLU A 102 4.533 -3.484 -10.030 1.00 0.00 C ATOM 1427 CD GLU A 102 3.904 -3.718 -11.405 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.257 -4.777 -11.561 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.086 -2.834 -12.269 1.00 0.00 O ATOM 0 H GLU A 102 5.797 -2.930 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 102 3.780 -3.953 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.041 -4.828 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.862 -3.170 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.758 -2.425 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.479 -4.021 -9.962 1.00 0.00 H new ATOM 1436 N CYS A 103 3.939 -6.382 -6.554 1.00 0.00 N ATOM 1437 CA CYS A 103 4.070 -7.810 -6.323 1.00 0.00 C ATOM 1438 C CYS A 103 3.734 -8.541 -7.625 1.00 0.00 C ATOM 1439 O CYS A 103 3.709 -7.932 -8.693 1.00 0.00 O ATOM 1440 CB CYS A 103 3.188 -8.279 -5.163 1.00 0.00 C ATOM 1441 SG CYS A 103 3.491 -7.422 -3.575 1.00 0.00 S ATOM 0 H CYS A 103 3.294 -5.905 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 103 5.095 -8.040 -6.032 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.143 -8.141 -5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.341 -9.348 -5.018 1.00 0.00 H new ATOM 0 HG CYS A 103 2.687 -7.892 -2.668 1.00 0.00 H new ATOM 1446 N THR A 104 3.485 -9.836 -7.492 1.00 0.00 N ATOM 1447 CA THR A 104 3.154 -10.655 -8.646 1.00 0.00 C ATOM 1448 C THR A 104 1.713 -11.162 -8.542 1.00 0.00 C ATOM 1449 O THR A 104 0.830 -10.680 -9.251 1.00 0.00 O ATOM 1450 CB THR A 104 4.188 -11.779 -8.741 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.909 -12.604 -7.613 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.614 -11.283 -8.496 1.00 0.00 C ATOM 0 H THR A 104 3.506 -10.338 -6.604 1.00 0.00 H new ATOM 0 HA THR A 104 3.197 -10.076 -9.568 1.00 0.00 H new ATOM 0 HB THR A 104 4.129 -12.245 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.180 -12.140 -6.793 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.309 -12.119 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.869 -10.528 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.682 -10.848 -7.499 1.00 0.00 H new TER 1460 THR A 104