USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 674 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 91 THR OG1 : rot 100:sc= 1.02! USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -11.6! C(o=-19!,f=-15!) USER MOD Set 2.2: A 98 ASN : amide:sc= -7.61! C(o=-19!,f=-12!) USER MOD Set 3.1: A 81 ASN : amide:sc= -16! C(o=-49!,f=-25!) USER MOD Set 3.2: A 83 ASN : amide:sc= -22.1! C(o=-49!,f=-20!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.8! K(o=-49!,f=-23) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -12.4! C(o=-15!,f=-23!) USER MOD Set 4.2: A 57 TYR OH : rot -123:sc= -2.35! USER MOD Set 5.1: A 36 ASN : amide:sc= -5.83! C(o=-6.2!,f=-7.3!) USER MOD Set 5.2: A 38 TYR OH : rot 110:sc= -0.319 USER MOD Set 6.1: A 6 CYS SG : rot -36:sc= -23! USER MOD Set 6.2: A 9 ASN : amide:sc= -25.6! C(o=-93!,f=-95!) USER MOD Set 6.3: A 11 TYR OH : rot 29:sc= -6.37! USER MOD Set 6.4: A 63 SER OG : rot 80:sc= 0.128 USER MOD Set 6.5: A 103 CYS SG : rot 177:sc= -38.3! USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 THR OG1 : rot -73:sc= 0.476 USER MOD Single : A 8 SER OG : rot 62:sc= 0.926 USER MOD Single : A 12 SER OG : rot 180:sc= -5.73! USER MOD Single : A 13 SER OG : rot 180:sc= 0.0761 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= -15.7! C(o=-16!,f=-21!) USER MOD Single : A 24 TYR OH : rot -84:sc= -4.4! USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0889) 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 37 SER OG : rot 62:sc= 1.11 USER MOD Single : A 40 HIS : no HE2:sc= -5.38! C(o=-5.4!,f=-7.1!) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.27 (180deg=-0.723) USER MOD Single : A 42 TYR OH : rot 45:sc= -3.7! USER MOD Single : A 43 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.5) USER MOD Single : A 44 ASN : amide:sc= -0.771 K(o=-0.77,f=-0.096) 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 -22:sc= 0.726 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0056 USER MOD Single : A 68 TYR OH : rot -15:sc= -5.46! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -13.5! C(o=-14!,f=-7.1!) USER MOD Single : A 96 SER OG : rot -61:sc= 1.13 USER MOD Single : A 99 ASN : amide:sc= -25! C(o=-25!,f=-18!) USER MOD Single : A 104 THR OG1 : rot -82:sc= -0.141 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -5.962 -14.663 -5.670 1.00 0.00 N ATOM 12 CA CYS A 2 -4.795 -13.824 -5.450 1.00 0.00 C ATOM 13 C CYS A 2 -4.347 -13.262 -6.801 1.00 0.00 C ATOM 14 O CYS A 2 -4.223 -14.003 -7.775 1.00 0.00 O ATOM 15 CB CYS A 2 -3.672 -14.589 -4.749 1.00 0.00 C ATOM 16 SG CYS A 2 -4.120 -16.274 -4.194 1.00 0.00 S ATOM 0 HA CYS A 2 -5.055 -13.002 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.821 -14.659 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.344 -14.012 -3.884 1.00 0.00 H new ATOM 21 N ASP A 3 -4.115 -11.958 -6.816 1.00 0.00 N ATOM 22 CA ASP A 3 -3.683 -11.289 -8.031 1.00 0.00 C ATOM 23 C ASP A 3 -2.449 -10.437 -7.728 1.00 0.00 C ATOM 24 O ASP A 3 -1.814 -9.911 -8.640 1.00 0.00 O ATOM 25 CB ASP A 3 -4.776 -10.363 -8.570 1.00 0.00 C ATOM 26 CG ASP A 3 -5.674 -10.980 -9.644 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.106 -11.590 -10.576 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.907 -10.827 -9.509 1.00 0.00 O ATOM 0 H ASP A 3 -4.218 -11.347 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.460 -12.054 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.401 -10.040 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.305 -9.470 -8.981 1.00 0.00 H new ATOM 33 N TYR A 4 -2.147 -10.326 -6.442 1.00 0.00 N ATOM 34 CA TYR A 4 -1.001 -9.547 -6.007 1.00 0.00 C ATOM 35 C TYR A 4 -0.155 -10.331 -5.001 1.00 0.00 C ATOM 36 O TYR A 4 -0.149 -10.017 -3.812 1.00 0.00 O ATOM 37 CB TYR A 4 -1.571 -8.306 -5.318 1.00 0.00 C ATOM 38 CG TYR A 4 -2.369 -7.389 -6.247 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.711 -6.596 -7.164 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.747 -7.355 -6.168 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.461 -5.733 -8.040 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.496 -6.492 -7.043 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.818 -5.724 -7.936 1.00 0.00 C ATOM 44 OH TYR A 4 -4.527 -4.909 -8.762 1.00 0.00 O ATOM 0 H TYR A 4 -2.677 -10.763 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.362 -9.298 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.214 -8.622 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.751 -7.737 -4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.633 -6.622 -7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.263 -7.976 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.958 -5.107 -8.763 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.574 -6.455 -6.991 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.471 -5.173 -8.750 1.00 0.00 H new ATOM 54 N THR A 5 0.539 -11.335 -5.516 1.00 0.00 N ATOM 55 CA THR A 5 1.387 -12.167 -4.678 1.00 0.00 C ATOM 56 C THR A 5 2.748 -11.500 -4.470 1.00 0.00 C ATOM 57 O THR A 5 3.592 -11.511 -5.365 1.00 0.00 O ATOM 58 CB THR A 5 1.479 -13.550 -5.324 1.00 0.00 C ATOM 59 OG1 THR A 5 0.249 -14.179 -4.976 1.00 0.00 O ATOM 60 CG2 THR A 5 2.547 -14.431 -4.672 1.00 0.00 C ATOM 0 H THR A 5 0.532 -11.592 -6.503 1.00 0.00 H new ATOM 0 HA THR A 5 0.963 -12.287 -3.681 1.00 0.00 H new ATOM 0 HB THR A 5 1.698 -13.440 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.262 -14.419 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.571 -15.401 -5.168 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.521 -13.951 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.311 -14.569 -3.617 1.00 0.00 H new ATOM 68 N CYS A 6 2.920 -10.936 -3.283 1.00 0.00 N ATOM 69 CA CYS A 6 4.165 -10.267 -2.946 1.00 0.00 C ATOM 70 C CYS A 6 5.185 -11.329 -2.533 1.00 0.00 C ATOM 71 O CYS A 6 5.671 -11.323 -1.403 1.00 0.00 O ATOM 72 CB CYS A 6 3.963 -9.214 -1.854 1.00 0.00 C ATOM 73 SG CYS A 6 3.326 -7.605 -2.447 1.00 0.00 S ATOM 0 H CYS A 6 2.218 -10.929 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 6 4.538 -9.727 -3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.272 -9.610 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.914 -9.048 -1.349 1.00 0.00 H new ATOM 0 HG CYS A 6 3.832 -7.342 -3.615 1.00 0.00 H new ATOM 78 N GLY A 7 5.481 -12.216 -3.473 1.00 0.00 N ATOM 79 CA GLY A 7 6.435 -13.283 -3.220 1.00 0.00 C ATOM 80 C GLY A 7 5.864 -14.308 -2.239 1.00 0.00 C ATOM 81 O GLY A 7 5.806 -15.499 -2.544 1.00 0.00 O ATOM 0 H GLY A 7 5.077 -12.217 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.692 -13.776 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.357 -12.863 -2.817 1.00 0.00 H new ATOM 85 N SER A 8 5.457 -13.810 -1.081 1.00 0.00 N ATOM 86 CA SER A 8 4.893 -14.667 -0.053 1.00 0.00 C ATOM 87 C SER A 8 3.538 -14.122 0.399 1.00 0.00 C ATOM 88 O SER A 8 3.292 -13.974 1.595 1.00 0.00 O ATOM 89 CB SER A 8 5.841 -14.792 1.141 1.00 0.00 C ATOM 90 OG SER A 8 5.800 -13.639 1.977 1.00 0.00 O ATOM 0 H SER A 8 5.507 -12.822 -0.832 1.00 0.00 H new ATOM 0 HA SER A 8 4.753 -15.662 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.575 -15.673 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.859 -14.943 0.782 1.00 0.00 H new ATOM 0 HG SER A 8 4.896 -13.529 2.339 1.00 0.00 H new ATOM 96 N ASN A 9 2.694 -13.835 -0.582 1.00 0.00 N ATOM 97 CA ASN A 9 1.369 -13.308 -0.300 1.00 0.00 C ATOM 98 C ASN A 9 0.364 -13.914 -1.281 1.00 0.00 C ATOM 99 O ASN A 9 0.719 -14.773 -2.087 1.00 0.00 O ATOM 100 CB ASN A 9 1.335 -11.788 -0.465 1.00 0.00 C ATOM 101 CG ASN A 9 2.476 -11.125 0.310 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.268 -10.344 1.223 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.689 -11.481 -0.103 1.00 0.00 N ATOM 0 H ASN A 9 2.902 -13.957 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 9 1.116 -13.564 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.412 -11.532 -1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.379 -11.402 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.516 -11.095 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.792 -12.141 -0.874 1.00 0.00 H new ATOM 110 N CYS A 10 -0.870 -13.443 -1.181 1.00 0.00 N ATOM 111 CA CYS A 10 -1.928 -13.927 -2.050 1.00 0.00 C ATOM 112 C CYS A 10 -3.203 -13.140 -1.740 1.00 0.00 C ATOM 113 O CYS A 10 -4.206 -13.715 -1.320 1.00 0.00 O ATOM 114 CB CYS A 10 -2.138 -15.435 -1.900 1.00 0.00 C ATOM 115 SG CYS A 10 -2.688 -16.288 -3.422 1.00 0.00 S ATOM 0 H CYS A 10 -1.161 -12.731 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.648 -13.767 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.204 -15.886 -1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.875 -15.609 -1.116 1.00 0.00 H new ATOM 120 N TYR A 11 -3.123 -11.835 -1.957 1.00 0.00 N ATOM 121 CA TYR A 11 -4.257 -10.963 -1.706 1.00 0.00 C ATOM 122 C TYR A 11 -4.556 -10.086 -2.923 1.00 0.00 C ATOM 123 O TYR A 11 -3.919 -9.053 -3.122 1.00 0.00 O ATOM 124 CB TYR A 11 -3.848 -10.066 -0.535 1.00 0.00 C ATOM 125 CG TYR A 11 -2.357 -9.728 -0.501 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.706 -9.360 -1.661 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.661 -9.793 0.690 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.302 -9.043 -1.629 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.257 -9.476 0.721 1.00 0.00 C ATOM 130 CZ TYR A 11 0.354 -9.116 -0.439 1.00 0.00 C ATOM 131 OH TYR A 11 1.680 -8.817 -0.409 1.00 0.00 O ATOM 0 H TYR A 11 -2.289 -11.361 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.151 -11.549 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.419 -9.139 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.120 -10.559 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.250 -9.310 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.170 -10.082 1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.219 -8.754 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.299 -9.523 1.646 1.00 0.00 H new ATOM 0 HH TYR A 11 1.886 -8.170 -1.116 1.00 0.00 H new ATOM 141 N SER A 12 -5.526 -10.532 -3.708 1.00 0.00 N ATOM 142 CA SER A 12 -5.917 -9.801 -4.903 1.00 0.00 C ATOM 143 C SER A 12 -6.421 -8.407 -4.521 1.00 0.00 C ATOM 144 O SER A 12 -6.467 -8.061 -3.341 1.00 0.00 O ATOM 145 CB SER A 12 -6.993 -10.558 -5.685 1.00 0.00 C ATOM 146 OG SER A 12 -6.431 -11.551 -6.539 1.00 0.00 O ATOM 0 H SER A 12 -6.053 -11.389 -3.541 1.00 0.00 H new ATOM 0 HA SER A 12 -5.042 -9.702 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.685 -11.029 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.572 -9.853 -6.281 1.00 0.00 H new ATOM 0 HG SER A 12 -7.149 -12.013 -7.020 1.00 0.00 H new ATOM 152 N SER A 13 -6.786 -7.645 -5.541 1.00 0.00 N ATOM 153 CA SER A 13 -7.285 -6.298 -5.328 1.00 0.00 C ATOM 154 C SER A 13 -8.429 -6.317 -4.312 1.00 0.00 C ATOM 155 O SER A 13 -8.788 -5.280 -3.756 1.00 0.00 O ATOM 156 CB SER A 13 -7.754 -5.669 -6.643 1.00 0.00 C ATOM 157 OG SER A 13 -8.084 -6.654 -7.617 1.00 0.00 O ATOM 0 H SER A 13 -6.746 -7.935 -6.518 1.00 0.00 H new ATOM 0 HA SER A 13 -6.469 -5.690 -4.936 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.624 -5.040 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.970 -5.020 -7.034 1.00 0.00 H new ATOM 0 HG SER A 13 -8.380 -6.213 -8.441 1.00 0.00 H new ATOM 163 N SER A 14 -8.969 -7.508 -4.101 1.00 0.00 N ATOM 164 CA SER A 14 -10.065 -7.677 -3.161 1.00 0.00 C ATOM 165 C SER A 14 -9.520 -7.796 -1.737 1.00 0.00 C ATOM 166 O SER A 14 -10.185 -7.406 -0.779 1.00 0.00 O ATOM 167 CB SER A 14 -10.907 -8.905 -3.512 1.00 0.00 C ATOM 168 OG SER A 14 -12.027 -9.050 -2.642 1.00 0.00 O ATOM 0 H SER A 14 -8.668 -8.365 -4.564 1.00 0.00 H new ATOM 0 HA SER A 14 -10.708 -6.799 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.256 -8.824 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.286 -9.799 -3.456 1.00 0.00 H new ATOM 0 HG SER A 14 -12.540 -9.844 -2.899 1.00 0.00 H new ATOM 174 N ASP A 15 -8.313 -8.335 -1.643 1.00 0.00 N ATOM 175 CA ASP A 15 -7.670 -8.510 -0.352 1.00 0.00 C ATOM 176 C ASP A 15 -6.981 -7.205 0.051 1.00 0.00 C ATOM 177 O ASP A 15 -7.020 -6.813 1.217 1.00 0.00 O ATOM 178 CB ASP A 15 -6.607 -9.608 -0.410 1.00 0.00 C ATOM 179 CG ASP A 15 -7.103 -11.009 -0.049 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.143 -11.407 -0.617 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.430 -11.652 0.786 1.00 0.00 O ATOM 0 H ASP A 15 -7.764 -8.656 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.437 -8.789 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.189 -9.635 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.794 -9.342 0.266 1.00 0.00 H new ATOM 186 N VAL A 16 -6.367 -6.568 -0.935 1.00 0.00 N ATOM 187 CA VAL A 16 -5.670 -5.315 -0.698 1.00 0.00 C ATOM 188 C VAL A 16 -6.641 -4.305 -0.084 1.00 0.00 C ATOM 189 O VAL A 16 -6.325 -3.663 0.916 1.00 0.00 O ATOM 190 CB VAL A 16 -5.032 -4.818 -1.996 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.361 -3.458 -1.792 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.037 -5.842 -2.546 1.00 0.00 C ATOM 0 H VAL A 16 -6.338 -6.896 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.857 -5.458 0.014 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.826 -4.693 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.915 -3.128 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.105 -2.730 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.584 -3.546 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.598 -5.463 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.249 -6.013 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.554 -6.780 -2.748 1.00 0.00 H new ATOM 202 N SER A 17 -7.805 -4.196 -0.708 1.00 0.00 N ATOM 203 CA SER A 17 -8.824 -3.275 -0.236 1.00 0.00 C ATOM 204 C SER A 17 -8.839 -3.251 1.293 1.00 0.00 C ATOM 205 O SER A 17 -8.746 -2.186 1.902 1.00 0.00 O ATOM 206 CB SER A 17 -10.204 -3.657 -0.775 1.00 0.00 C ATOM 207 OG SER A 17 -11.141 -2.592 -0.646 1.00 0.00 O ATOM 0 H SER A 17 -8.065 -4.731 -1.537 1.00 0.00 H new ATOM 0 HA SER A 17 -8.583 -2.279 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.118 -3.939 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.573 -4.531 -0.239 1.00 0.00 H new ATOM 0 HG SER A 17 -12.009 -2.875 -1.003 1.00 0.00 H new ATOM 213 N THR A 18 -8.958 -4.438 1.871 1.00 0.00 N ATOM 214 CA THR A 18 -8.987 -4.566 3.318 1.00 0.00 C ATOM 215 C THR A 18 -7.864 -3.741 3.949 1.00 0.00 C ATOM 216 O THR A 18 -8.109 -2.934 4.845 1.00 0.00 O ATOM 217 CB THR A 18 -8.913 -6.055 3.661 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.276 -6.465 3.719 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.389 -6.304 5.078 1.00 0.00 C ATOM 0 H THR A 18 -9.035 -5.319 1.363 1.00 0.00 H new ATOM 0 HA THR A 18 -9.913 -4.167 3.732 1.00 0.00 H new ATOM 0 HB THR A 18 -8.270 -6.562 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.321 -7.420 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.356 -7.376 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.386 -5.887 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.051 -5.826 5.800 1.00 0.00 H new ATOM 227 N ALA A 19 -6.655 -3.970 3.457 1.00 0.00 N ATOM 228 CA ALA A 19 -5.494 -3.258 3.961 1.00 0.00 C ATOM 229 C ALA A 19 -5.695 -1.755 3.761 1.00 0.00 C ATOM 230 O ALA A 19 -5.402 -0.961 4.654 1.00 0.00 O ATOM 231 CB ALA A 19 -4.234 -3.776 3.264 1.00 0.00 C ATOM 0 H ALA A 19 -6.455 -4.639 2.714 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.371 -3.434 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.363 -3.241 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.120 -4.842 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.320 -3.614 2.189 1.00 0.00 H new ATOM 237 N GLN A 20 -6.196 -1.410 2.584 1.00 0.00 N ATOM 238 CA GLN A 20 -6.440 -0.015 2.254 1.00 0.00 C ATOM 239 C GLN A 20 -7.386 0.614 3.279 1.00 0.00 C ATOM 240 O GLN A 20 -7.052 1.621 3.900 1.00 0.00 O ATOM 241 CB GLN A 20 -6.997 0.124 0.836 1.00 0.00 C ATOM 242 CG GLN A 20 -6.211 -0.743 -0.149 1.00 0.00 C ATOM 243 CD GLN A 20 -6.990 -0.938 -1.451 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.107 -2.034 -1.976 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.515 0.180 -1.941 1.00 0.00 N ATOM 0 H GLN A 20 -6.440 -2.072 1.847 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.490 0.518 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.047 -0.167 0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.951 1.167 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.250 -0.276 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.001 -1.713 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.379 1.064 -1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.054 0.154 -2.807 1.00 0.00 H new ATOM 254 N ALA A 21 -8.548 -0.007 3.423 1.00 0.00 N ATOM 255 CA ALA A 21 -9.545 0.480 4.362 1.00 0.00 C ATOM 256 C ALA A 21 -8.843 1.025 5.607 1.00 0.00 C ATOM 257 O ALA A 21 -9.300 1.999 6.205 1.00 0.00 O ATOM 258 CB ALA A 21 -10.528 -0.645 4.692 1.00 0.00 C ATOM 0 H ALA A 21 -8.821 -0.842 2.906 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.119 1.296 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.276 -0.280 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.021 -0.977 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.988 -1.481 5.137 1.00 0.00 H new ATOM 264 N ALA A 22 -7.745 0.374 5.961 1.00 0.00 N ATOM 265 CA ALA A 22 -6.976 0.781 7.125 1.00 0.00 C ATOM 266 C ALA A 22 -6.238 2.084 6.813 1.00 0.00 C ATOM 267 O ALA A 22 -6.404 3.080 7.515 1.00 0.00 O ATOM 268 CB ALA A 22 -6.023 -0.347 7.528 1.00 0.00 C ATOM 0 H ALA A 22 -7.369 -0.433 5.462 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.634 0.970 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.446 -0.042 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.598 -1.241 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.345 -0.563 6.702 1.00 0.00 H new ATOM 274 N GLY A 23 -5.438 2.035 5.758 1.00 0.00 N ATOM 275 CA GLY A 23 -4.673 3.200 5.343 1.00 0.00 C ATOM 276 C GLY A 23 -5.591 4.402 5.108 1.00 0.00 C ATOM 277 O GLY A 23 -5.265 5.521 5.500 1.00 0.00 O ATOM 0 H GLY A 23 -5.303 1.207 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.934 3.445 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.124 2.973 4.429 1.00 0.00 H new ATOM 281 N TYR A 24 -6.719 4.129 4.470 1.00 0.00 N ATOM 282 CA TYR A 24 -7.685 5.174 4.178 1.00 0.00 C ATOM 283 C TYR A 24 -8.317 5.712 5.463 1.00 0.00 C ATOM 284 O TYR A 24 -8.149 6.883 5.799 1.00 0.00 O ATOM 285 CB TYR A 24 -8.773 4.517 3.325 1.00 0.00 C ATOM 286 CG TYR A 24 -9.478 5.478 2.366 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.862 5.855 1.190 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.730 5.969 2.678 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.526 6.760 0.287 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.393 6.873 1.775 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.759 7.224 0.625 1.00 0.00 C ATOM 292 OH TYR A 24 -11.385 8.079 -0.228 1.00 0.00 O ATOM 0 H TYR A 24 -6.986 3.199 4.147 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.204 6.010 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.328 3.706 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.516 4.068 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.882 5.472 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.212 5.675 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.056 7.063 -0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.373 7.264 2.006 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.077 8.994 -0.059 1.00 0.00 H new ATOM 302 N LYS A 25 -9.031 4.830 6.147 1.00 0.00 N ATOM 303 CA LYS A 25 -9.689 5.202 7.388 1.00 0.00 C ATOM 304 C LYS A 25 -8.776 6.136 8.184 1.00 0.00 C ATOM 305 O LYS A 25 -9.135 7.283 8.451 1.00 0.00 O ATOM 306 CB LYS A 25 -10.115 3.953 8.163 1.00 0.00 C ATOM 307 CG LYS A 25 -10.864 4.331 9.443 1.00 0.00 C ATOM 308 CD LYS A 25 -12.250 4.895 9.121 1.00 0.00 C ATOM 309 CE LYS A 25 -13.104 5.005 10.386 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.579 3.669 10.809 1.00 0.00 N ATOM 0 H LYS A 25 -9.168 3.859 5.865 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.608 5.752 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.752 3.331 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.236 3.359 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.964 3.454 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.288 5.069 10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.149 5.877 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.749 4.252 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.521 5.460 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.956 5.659 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.314 3.776 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.975 3.166 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.783 3.125 11.198 1.00 0.00 H new ATOM 324 N LEU A 26 -7.612 5.613 8.542 1.00 0.00 N ATOM 325 CA LEU A 26 -6.645 6.387 9.302 1.00 0.00 C ATOM 326 C LEU A 26 -6.297 7.660 8.528 1.00 0.00 C ATOM 327 O LEU A 26 -6.093 8.716 9.125 1.00 0.00 O ATOM 328 CB LEU A 26 -5.429 5.527 9.652 1.00 0.00 C ATOM 329 CG LEU A 26 -4.296 6.240 10.394 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.401 6.014 11.904 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.932 5.819 9.845 1.00 0.00 C ATOM 0 H LEU A 26 -7.317 4.662 8.320 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.070 6.700 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.765 4.688 10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.026 5.109 8.729 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.396 7.312 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.584 6.531 12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.353 6.403 12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.341 4.947 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.144 6.340 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.807 4.743 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.871 6.074 8.787 1.00 0.00 H new ATOM 343 N HIS A 27 -6.237 7.517 7.212 1.00 0.00 N ATOM 344 CA HIS A 27 -5.916 8.643 6.352 1.00 0.00 C ATOM 345 C HIS A 27 -7.014 9.703 6.464 1.00 0.00 C ATOM 346 O HIS A 27 -6.725 10.879 6.684 1.00 0.00 O ATOM 347 CB HIS A 27 -5.686 8.178 4.912 1.00 0.00 C ATOM 348 CG HIS A 27 -5.525 9.306 3.922 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.520 10.253 4.020 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.250 9.628 2.811 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.644 11.102 3.010 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.718 10.712 2.263 1.00 0.00 N ATOM 0 H HIS A 27 -6.405 6.639 6.721 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.982 9.101 6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.795 7.551 4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.525 7.554 4.604 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.805 10.291 4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.111 9.091 2.441 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.008 11.952 2.813 1.00 0.00 H new ATOM 361 N GLU A 28 -8.248 9.251 6.307 1.00 0.00 N ATOM 362 CA GLU A 28 -9.390 10.146 6.387 1.00 0.00 C ATOM 363 C GLU A 28 -9.414 10.855 7.743 1.00 0.00 C ATOM 364 O GLU A 28 -9.909 11.975 7.853 1.00 0.00 O ATOM 365 CB GLU A 28 -10.697 9.390 6.141 1.00 0.00 C ATOM 366 CG GLU A 28 -10.424 7.951 5.699 1.00 0.00 C ATOM 367 CD GLU A 28 -11.715 7.261 5.250 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.160 7.568 4.124 1.00 0.00 O ATOM 369 OE2 GLU A 28 -12.225 6.442 6.045 1.00 0.00 O ATOM 0 H GLU A 28 -8.483 8.275 6.124 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.292 10.900 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.296 9.387 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.280 9.904 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.703 7.948 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.976 7.393 6.521 1.00 0.00 H new ATOM 376 N ASP A 29 -8.872 10.172 8.741 1.00 0.00 N ATOM 377 CA ASP A 29 -8.826 10.722 10.085 1.00 0.00 C ATOM 378 C ASP A 29 -7.571 11.586 10.235 1.00 0.00 C ATOM 379 O ASP A 29 -7.462 12.372 11.174 1.00 0.00 O ATOM 380 CB ASP A 29 -8.762 9.611 11.134 1.00 0.00 C ATOM 381 CG ASP A 29 -10.111 8.990 11.501 1.00 0.00 C ATOM 382 OD1 ASP A 29 -11.129 9.506 10.993 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.093 8.014 12.281 1.00 0.00 O ATOM 0 H ASP A 29 -8.461 9.243 8.646 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.730 11.311 10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.104 8.823 10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.305 10.012 12.039 1.00 0.00 H new ATOM 388 N GLY A 30 -6.655 11.410 9.293 1.00 0.00 N ATOM 389 CA GLY A 30 -5.412 12.162 9.309 1.00 0.00 C ATOM 390 C GLY A 30 -4.463 11.633 10.386 1.00 0.00 C ATOM 391 O GLY A 30 -3.563 12.345 10.829 1.00 0.00 O ATOM 0 H GLY A 30 -6.749 10.758 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.932 12.097 8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.623 13.216 9.491 1.00 0.00 H new ATOM 395 N GLU A 31 -4.699 10.390 10.778 1.00 0.00 N ATOM 396 CA GLU A 31 -3.876 9.757 11.794 1.00 0.00 C ATOM 397 C GLU A 31 -2.805 8.880 11.142 1.00 0.00 C ATOM 398 O GLU A 31 -2.797 8.707 9.924 1.00 0.00 O ATOM 399 CB GLU A 31 -4.734 8.943 12.765 1.00 0.00 C ATOM 400 CG GLU A 31 -5.512 9.861 13.710 1.00 0.00 C ATOM 401 CD GLU A 31 -4.580 10.511 14.734 1.00 0.00 C ATOM 402 OE1 GLU A 31 -4.012 9.751 15.547 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.457 11.754 14.680 1.00 0.00 O ATOM 0 H GLU A 31 -5.449 9.804 10.410 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.377 10.538 12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.429 8.318 12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.098 8.273 13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.021 10.634 13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.283 9.288 14.226 1.00 0.00 H new ATOM 410 N THR A 32 -1.928 8.350 11.981 1.00 0.00 N ATOM 411 CA THR A 32 -0.855 7.495 11.501 1.00 0.00 C ATOM 412 C THR A 32 -0.835 6.177 12.278 1.00 0.00 C ATOM 413 O THR A 32 -1.599 5.999 13.224 1.00 0.00 O ATOM 414 CB THR A 32 0.454 8.280 11.600 1.00 0.00 C ATOM 415 OG1 THR A 32 0.507 8.695 12.962 1.00 0.00 O ATOM 416 CG2 THR A 32 0.415 9.590 10.811 1.00 0.00 C ATOM 0 H THR A 32 -1.938 8.496 12.990 1.00 0.00 H new ATOM 0 HA THR A 32 -1.006 7.218 10.458 1.00 0.00 H new ATOM 0 HB THR A 32 1.275 7.663 11.235 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.326 9.210 13.115 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.369 10.107 10.916 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.233 9.375 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.385 10.223 11.196 1.00 0.00 H new ATOM 424 N VAL A 33 0.047 5.287 11.848 1.00 0.00 N ATOM 425 CA VAL A 33 0.177 3.992 12.491 1.00 0.00 C ATOM 426 C VAL A 33 1.652 3.722 12.795 1.00 0.00 C ATOM 427 O VAL A 33 2.513 3.931 11.941 1.00 0.00 O ATOM 428 CB VAL A 33 -0.461 2.908 11.619 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.761 3.408 10.988 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.517 2.420 10.547 1.00 0.00 C ATOM 0 H VAL A 33 0.679 5.438 11.062 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.357 3.983 13.441 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.704 2.061 12.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.194 2.619 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.464 3.683 11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.552 4.279 10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.039 1.650 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.805 3.256 9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.404 2.006 11.026 1.00 0.00 H new ATOM 440 N GLY A 34 1.899 3.264 14.013 1.00 0.00 N ATOM 441 CA GLY A 34 3.256 2.965 14.439 1.00 0.00 C ATOM 442 C GLY A 34 4.020 4.247 14.775 1.00 0.00 C ATOM 443 O GLY A 34 3.416 5.266 15.107 1.00 0.00 O ATOM 0 H GLY A 34 1.183 3.093 14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.232 2.313 15.312 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.777 2.423 13.650 1.00 0.00 H new ATOM 447 N SER A 35 5.339 4.155 14.676 1.00 0.00 N ATOM 448 CA SER A 35 6.192 5.295 14.964 1.00 0.00 C ATOM 449 C SER A 35 6.473 6.076 13.679 1.00 0.00 C ATOM 450 O SER A 35 6.926 7.219 13.731 1.00 0.00 O ATOM 451 CB SER A 35 7.504 4.850 15.613 1.00 0.00 C ATOM 452 OG SER A 35 7.548 5.168 17.001 1.00 0.00 O ATOM 0 H SER A 35 5.837 3.309 14.400 1.00 0.00 H new ATOM 0 HA SER A 35 5.671 5.943 15.669 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.626 3.775 15.483 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.341 5.329 15.105 1.00 0.00 H new ATOM 0 HG SER A 35 8.400 4.866 17.379 1.00 0.00 H new ATOM 458 N ASN A 36 6.195 5.429 12.558 1.00 0.00 N ATOM 459 CA ASN A 36 6.412 6.050 11.262 1.00 0.00 C ATOM 460 C ASN A 36 5.269 7.023 10.969 1.00 0.00 C ATOM 461 O ASN A 36 4.621 7.520 11.888 1.00 0.00 O ATOM 462 CB ASN A 36 6.439 5.002 10.147 1.00 0.00 C ATOM 463 CG ASN A 36 7.873 4.717 9.695 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.821 5.368 10.105 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.978 3.713 8.830 1.00 0.00 N ATOM 0 H ASN A 36 5.821 4.481 12.519 1.00 0.00 H new ATOM 0 HA ASN A 36 7.370 6.569 11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.975 4.080 10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.850 5.353 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.893 3.445 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.143 3.210 8.529 1.00 0.00 H new ATOM 472 N SER A 37 5.057 7.266 9.684 1.00 0.00 N ATOM 473 CA SER A 37 4.003 8.172 9.259 1.00 0.00 C ATOM 474 C SER A 37 3.157 7.514 8.166 1.00 0.00 C ATOM 475 O SER A 37 2.975 8.082 7.090 1.00 0.00 O ATOM 476 CB SER A 37 4.584 9.495 8.755 1.00 0.00 C ATOM 477 OG SER A 37 4.933 9.435 7.375 1.00 0.00 O ATOM 0 H SER A 37 5.596 6.852 8.924 1.00 0.00 H new ATOM 0 HA SER A 37 3.370 8.388 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.857 10.292 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.467 9.750 9.341 1.00 0.00 H new ATOM 0 HG SER A 37 4.129 9.265 6.841 1.00 0.00 H new ATOM 483 N TYR A 38 2.664 6.325 8.479 1.00 0.00 N ATOM 484 CA TYR A 38 1.842 5.584 7.538 1.00 0.00 C ATOM 485 C TYR A 38 0.365 5.652 7.928 1.00 0.00 C ATOM 486 O TYR A 38 0.030 5.626 9.111 1.00 0.00 O ATOM 487 CB TYR A 38 2.313 4.131 7.620 1.00 0.00 C ATOM 488 CG TYR A 38 3.743 3.910 7.121 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.764 4.721 7.571 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.010 2.900 6.218 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.109 4.513 7.100 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.355 2.692 5.748 1.00 0.00 C ATOM 493 CZ TYR A 38 6.339 3.509 6.213 1.00 0.00 C ATOM 494 OH TYR A 38 7.609 3.313 5.768 1.00 0.00 O ATOM 0 H TYR A 38 2.818 5.856 9.372 1.00 0.00 H new ATOM 0 HA TYR A 38 1.939 5.999 6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.245 3.796 8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.635 3.507 7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.555 5.512 8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.210 2.266 5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.917 5.141 7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.578 1.905 5.042 1.00 0.00 H new ATOM 0 HH TYR A 38 7.961 2.478 6.141 1.00 0.00 H new ATOM 504 N PRO A 39 -0.502 5.740 6.884 1.00 0.00 N ATOM 505 CA PRO A 39 -0.022 5.764 5.513 1.00 0.00 C ATOM 506 C PRO A 39 0.585 7.126 5.168 1.00 0.00 C ATOM 507 O PRO A 39 0.816 7.948 6.053 1.00 0.00 O ATOM 508 CB PRO A 39 -1.236 5.423 4.664 1.00 0.00 C ATOM 509 CG PRO A 39 -2.447 5.676 5.548 1.00 0.00 C ATOM 510 CD PRO A 39 -1.957 5.817 6.980 1.00 0.00 C ATOM 0 HA PRO A 39 0.783 5.051 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.271 6.041 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.203 4.385 4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.968 6.580 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.158 4.853 5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.275 6.764 7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.354 5.025 7.614 1.00 0.00 H new ATOM 518 N HIS A 40 0.825 7.322 3.880 1.00 0.00 N ATOM 519 CA HIS A 40 1.399 8.571 3.408 1.00 0.00 C ATOM 520 C HIS A 40 1.514 8.539 1.883 1.00 0.00 C ATOM 521 O HIS A 40 1.445 7.472 1.274 1.00 0.00 O ATOM 522 CB HIS A 40 2.737 8.848 4.098 1.00 0.00 C ATOM 523 CG HIS A 40 3.832 7.878 3.724 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.549 7.975 2.543 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.326 6.793 4.387 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.432 6.987 2.507 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.292 6.255 3.651 1.00 0.00 N ATOM 0 H HIS A 40 0.633 6.637 3.149 1.00 0.00 H new ATOM 0 HA HIS A 40 0.742 9.400 3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.060 9.859 3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.591 8.817 5.178 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.420 8.686 1.823 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.989 6.433 5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.138 6.795 1.713 1.00 0.00 H new ATOM 536 N LYS A 41 1.685 9.721 1.309 1.00 0.00 N ATOM 537 CA LYS A 41 1.810 9.842 -0.133 1.00 0.00 C ATOM 538 C LYS A 41 2.845 8.835 -0.638 1.00 0.00 C ATOM 539 O LYS A 41 3.707 8.393 0.120 1.00 0.00 O ATOM 540 CB LYS A 41 2.117 11.289 -0.525 1.00 0.00 C ATOM 541 CG LYS A 41 2.121 11.455 -2.046 1.00 0.00 C ATOM 542 CD LYS A 41 3.504 11.153 -2.627 1.00 0.00 C ATOM 543 CE LYS A 41 4.328 12.434 -2.774 1.00 0.00 C ATOM 544 NZ LYS A 41 4.831 12.880 -1.455 1.00 0.00 N ATOM 0 H LYS A 41 1.740 10.604 1.817 1.00 0.00 H new ATOM 0 HA LYS A 41 0.865 9.598 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.374 11.954 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.086 11.581 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.382 10.788 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.828 12.472 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.029 10.451 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.397 10.671 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.166 12.259 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.716 13.218 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.606 13.560 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.060 13.335 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.181 12.059 -0.921 1.00 0.00 H new ATOM 558 N TYR A 42 2.726 8.502 -1.915 1.00 0.00 N ATOM 559 CA TYR A 42 3.641 7.555 -2.529 1.00 0.00 C ATOM 560 C TYR A 42 3.819 7.853 -4.019 1.00 0.00 C ATOM 561 O TYR A 42 4.894 7.635 -4.575 1.00 0.00 O ATOM 562 CB TYR A 42 2.993 6.178 -2.371 1.00 0.00 C ATOM 563 CG TYR A 42 3.604 5.096 -3.263 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.416 5.142 -4.630 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.343 4.075 -2.702 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.992 4.123 -5.469 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.918 3.056 -3.541 1.00 0.00 C ATOM 568 CZ TYR A 42 4.714 3.130 -4.884 1.00 0.00 C ATOM 569 OH TYR A 42 5.258 2.169 -5.677 1.00 0.00 O ATOM 0 H TYR A 42 2.010 8.871 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 42 4.623 7.611 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.077 5.866 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.929 6.261 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.838 5.941 -5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.490 4.040 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.854 4.147 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.498 2.251 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 42 5.678 2.588 -6.457 1.00 0.00 H new ATOM 579 N ASN A 43 2.749 8.348 -4.623 1.00 0.00 N ATOM 580 CA ASN A 43 2.773 8.678 -6.038 1.00 0.00 C ATOM 581 C ASN A 43 3.257 7.464 -6.833 1.00 0.00 C ATOM 582 O ASN A 43 2.477 6.558 -7.124 1.00 0.00 O ATOM 583 CB ASN A 43 3.732 9.837 -6.316 1.00 0.00 C ATOM 584 CG ASN A 43 2.993 11.177 -6.301 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.304 12.095 -7.042 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.000 11.236 -5.419 1.00 0.00 N ATOM 0 H ASN A 43 1.859 8.529 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 43 1.764 8.964 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.524 9.846 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.211 9.693 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.445 12.087 -5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.793 10.430 -4.829 1.00 0.00 H new ATOM 593 N ASN A 44 4.540 7.484 -7.161 1.00 0.00 N ATOM 594 CA ASN A 44 5.137 6.396 -7.916 1.00 0.00 C ATOM 595 C ASN A 44 6.343 6.923 -8.696 1.00 0.00 C ATOM 596 O ASN A 44 6.630 8.118 -8.668 1.00 0.00 O ATOM 597 CB ASN A 44 4.142 5.813 -8.922 1.00 0.00 C ATOM 598 CG ASN A 44 4.022 6.710 -10.157 1.00 0.00 C ATOM 599 OD1 ASN A 44 3.282 7.679 -10.182 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.790 6.333 -11.175 1.00 0.00 N ATOM 0 H ASN A 44 5.183 8.237 -6.918 1.00 0.00 H new ATOM 0 HA ASN A 44 5.434 5.620 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.465 4.816 -9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.165 5.704 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.782 6.866 -12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.387 5.510 -11.086 1.00 0.00 H new ATOM 607 N TYR A 45 7.018 6.005 -9.372 1.00 0.00 N ATOM 608 CA TYR A 45 8.187 6.361 -10.157 1.00 0.00 C ATOM 609 C TYR A 45 8.909 5.111 -10.665 1.00 0.00 C ATOM 610 O TYR A 45 9.269 5.031 -11.838 1.00 0.00 O ATOM 611 CB TYR A 45 9.115 7.123 -9.209 1.00 0.00 C ATOM 612 CG TYR A 45 9.034 8.645 -9.349 1.00 0.00 C ATOM 613 CD1 TYR A 45 8.063 9.214 -10.148 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.932 9.448 -8.677 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.986 10.646 -10.280 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.856 10.880 -8.808 1.00 0.00 C ATOM 617 CZ TYR A 45 8.887 11.408 -9.604 1.00 0.00 C ATOM 618 OH TYR A 45 8.815 12.760 -9.728 1.00 0.00 O ATOM 0 H TYR A 45 6.777 5.014 -9.392 1.00 0.00 H new ATOM 0 HA TYR A 45 7.900 6.953 -11.026 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.873 6.849 -8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.142 6.806 -9.390 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.361 8.585 -10.675 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.692 9.003 -8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.231 11.104 -10.901 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.552 11.520 -8.286 1.00 0.00 H new ATOM 0 HH TYR A 45 9.520 13.176 -9.189 1.00 0.00 H new ATOM 628 N GLU A 46 9.100 4.168 -9.754 1.00 0.00 N ATOM 629 CA GLU A 46 9.773 2.925 -10.095 1.00 0.00 C ATOM 630 C GLU A 46 9.197 2.347 -11.388 1.00 0.00 C ATOM 631 O GLU A 46 9.816 1.491 -12.020 1.00 0.00 O ATOM 632 CB GLU A 46 9.673 1.916 -8.950 1.00 0.00 C ATOM 633 CG GLU A 46 10.340 2.455 -7.682 1.00 0.00 C ATOM 634 CD GLU A 46 11.461 3.436 -8.029 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.493 2.959 -8.550 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.262 4.642 -7.765 1.00 0.00 O ATOM 0 H GLU A 46 8.801 4.239 -8.781 1.00 0.00 H new ATOM 0 HA GLU A 46 10.830 3.139 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.625 1.694 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.147 0.979 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.597 2.952 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.743 1.627 -7.099 1.00 0.00 H new ATOM 643 N GLY A 47 8.019 2.837 -11.746 1.00 0.00 N ATOM 644 CA GLY A 47 7.353 2.378 -12.952 1.00 0.00 C ATOM 645 C GLY A 47 6.082 1.597 -12.614 1.00 0.00 C ATOM 646 O GLY A 47 5.911 0.461 -13.056 1.00 0.00 O ATOM 0 H GLY A 47 7.509 3.548 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.102 3.232 -13.581 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.030 1.746 -13.527 1.00 0.00 H new ATOM 650 N PHE A 48 5.222 2.235 -11.834 1.00 0.00 N ATOM 651 CA PHE A 48 3.972 1.614 -11.432 1.00 0.00 C ATOM 652 C PHE A 48 2.810 2.110 -12.297 1.00 0.00 C ATOM 653 O PHE A 48 2.672 3.310 -12.529 1.00 0.00 O ATOM 654 CB PHE A 48 3.719 2.019 -9.979 1.00 0.00 C ATOM 655 CG PHE A 48 4.688 1.387 -8.978 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.489 0.111 -8.553 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.749 2.100 -8.515 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.389 -0.477 -7.625 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.649 1.513 -7.587 1.00 0.00 C ATOM 660 CZ PHE A 48 6.450 0.236 -7.161 1.00 0.00 C ATOM 0 H PHE A 48 5.367 3.177 -11.469 1.00 0.00 H new ATOM 0 HA PHE A 48 4.040 0.532 -11.547 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.786 3.104 -9.898 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.700 1.742 -9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.646 -0.456 -8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.907 3.113 -8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.231 -1.491 -7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.491 2.080 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.134 -0.211 -6.455 1.00 0.00 H new ATOM 670 N ASP A 49 2.005 1.160 -12.750 1.00 0.00 N ATOM 671 CA ASP A 49 0.860 1.485 -13.583 1.00 0.00 C ATOM 672 C ASP A 49 -0.378 1.650 -12.700 1.00 0.00 C ATOM 673 O ASP A 49 -1.320 0.865 -12.790 1.00 0.00 O ATOM 674 CB ASP A 49 0.577 0.367 -14.589 1.00 0.00 C ATOM 675 CG ASP A 49 1.805 -0.431 -15.032 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.473 0.035 -15.980 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.047 -1.490 -14.413 1.00 0.00 O ATOM 0 H ASP A 49 2.123 0.166 -12.556 1.00 0.00 H new ATOM 0 HA ASP A 49 1.084 2.407 -14.120 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.146 -0.321 -14.151 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.108 0.803 -15.471 1.00 0.00 H new ATOM 682 N PHE A 50 -0.337 2.679 -11.865 1.00 0.00 N ATOM 683 CA PHE A 50 -1.443 2.957 -10.966 1.00 0.00 C ATOM 684 C PHE A 50 -2.656 3.484 -11.736 1.00 0.00 C ATOM 685 O PHE A 50 -2.753 4.680 -12.008 1.00 0.00 O ATOM 686 CB PHE A 50 -0.966 4.036 -9.991 1.00 0.00 C ATOM 687 CG PHE A 50 0.064 3.543 -8.974 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.430 2.233 -8.957 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.613 4.414 -8.085 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.387 1.776 -8.011 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.570 3.957 -7.140 1.00 0.00 C ATOM 692 CZ PHE A 50 1.936 2.648 -7.124 1.00 0.00 C ATOM 0 H PHE A 50 0.445 3.330 -11.793 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.742 2.044 -10.450 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.535 4.860 -10.559 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.828 4.435 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.006 1.541 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.321 5.454 -8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.678 0.736 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.006 4.649 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.664 2.300 -6.406 1.00 0.00 H new ATOM 702 N SER A 51 -3.551 2.564 -12.067 1.00 0.00 N ATOM 703 CA SER A 51 -4.753 2.920 -12.800 1.00 0.00 C ATOM 704 C SER A 51 -5.717 3.682 -11.889 1.00 0.00 C ATOM 705 O SER A 51 -6.932 3.613 -12.066 1.00 0.00 O ATOM 706 CB SER A 51 -5.437 1.678 -13.373 1.00 0.00 C ATOM 707 OG SER A 51 -5.893 0.799 -12.348 1.00 0.00 O ATOM 0 H SER A 51 -3.467 1.573 -11.841 1.00 0.00 H new ATOM 0 HA SER A 51 -4.466 3.562 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.281 1.982 -13.992 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.740 1.147 -14.022 1.00 0.00 H new ATOM 0 HG SER A 51 -6.325 0.019 -12.754 1.00 0.00 H new ATOM 713 N VAL A 52 -5.137 4.394 -10.932 1.00 0.00 N ATOM 714 CA VAL A 52 -5.928 5.169 -9.992 1.00 0.00 C ATOM 715 C VAL A 52 -5.510 6.638 -10.069 1.00 0.00 C ATOM 716 O VAL A 52 -4.424 6.954 -10.556 1.00 0.00 O ATOM 717 CB VAL A 52 -5.794 4.582 -8.585 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.184 3.102 -8.569 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.378 4.782 -8.041 1.00 0.00 C ATOM 0 H VAL A 52 -4.129 4.450 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.986 5.118 -10.251 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.483 5.117 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.080 2.709 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.218 2.995 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.532 2.547 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.309 4.356 -7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.663 4.285 -8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.152 5.847 -7.998 1.00 0.00 H new ATOM 729 N SER A 53 -6.391 7.499 -9.581 1.00 0.00 N ATOM 730 CA SER A 53 -6.127 8.927 -9.588 1.00 0.00 C ATOM 731 C SER A 53 -5.443 9.339 -8.282 1.00 0.00 C ATOM 732 O SER A 53 -5.833 8.890 -7.205 1.00 0.00 O ATOM 733 CB SER A 53 -7.416 9.725 -9.788 1.00 0.00 C ATOM 734 OG SER A 53 -7.158 11.054 -10.233 1.00 0.00 O ATOM 0 H SER A 53 -7.290 7.234 -9.178 1.00 0.00 H new ATOM 0 HA SER A 53 -5.463 9.148 -10.424 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.048 9.216 -10.515 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.971 9.758 -8.850 1.00 0.00 H new ATOM 0 HG SER A 53 -8.006 11.530 -10.350 1.00 0.00 H new ATOM 740 N SER A 54 -4.438 10.189 -8.421 1.00 0.00 N ATOM 741 CA SER A 54 -3.696 10.668 -7.267 1.00 0.00 C ATOM 742 C SER A 54 -4.620 11.472 -6.348 1.00 0.00 C ATOM 743 O SER A 54 -5.744 11.798 -6.725 1.00 0.00 O ATOM 744 CB SER A 54 -2.500 11.520 -7.693 1.00 0.00 C ATOM 745 OG SER A 54 -2.818 12.909 -7.725 1.00 0.00 O ATOM 0 H SER A 54 -4.119 10.559 -9.316 1.00 0.00 H new ATOM 0 HA SER A 54 -3.315 9.803 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.672 11.353 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.162 11.203 -8.679 1.00 0.00 H new ATOM 0 HG SER A 54 -2.028 13.419 -8.000 1.00 0.00 H new ATOM 751 N PRO A 55 -4.097 11.775 -5.130 1.00 0.00 N ATOM 752 CA PRO A 55 -2.756 11.351 -4.764 1.00 0.00 C ATOM 753 C PRO A 55 -2.723 9.855 -4.444 1.00 0.00 C ATOM 754 O PRO A 55 -3.754 9.260 -4.128 1.00 0.00 O ATOM 755 CB PRO A 55 -2.378 12.220 -3.577 1.00 0.00 C ATOM 756 CG PRO A 55 -3.686 12.772 -3.031 1.00 0.00 C ATOM 757 CD PRO A 55 -4.765 12.528 -4.073 1.00 0.00 C ATOM 0 HA PRO A 55 -2.039 11.476 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.853 11.639 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.710 13.026 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.944 12.283 -2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.593 13.837 -2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.600 11.966 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.170 13.467 -4.451 1.00 0.00 H new ATOM 765 N TYR A 56 -1.530 9.288 -4.536 1.00 0.00 N ATOM 766 CA TYR A 56 -1.348 7.873 -4.260 1.00 0.00 C ATOM 767 C TYR A 56 -0.792 7.656 -2.851 1.00 0.00 C ATOM 768 O TYR A 56 0.311 8.102 -2.541 1.00 0.00 O ATOM 769 CB TYR A 56 -0.327 7.371 -5.282 1.00 0.00 C ATOM 770 CG TYR A 56 -0.823 7.414 -6.729 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.154 7.178 -7.010 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.060 7.687 -7.753 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.620 7.219 -8.372 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.405 7.727 -9.115 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.723 7.492 -9.357 1.00 0.00 C ATOM 776 OH TYR A 56 -2.163 7.529 -10.644 1.00 0.00 O ATOM 0 H TYR A 56 -0.678 9.784 -4.798 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.299 7.344 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.579 7.972 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.053 6.346 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.845 6.963 -6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.101 7.871 -7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.659 7.037 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.277 7.939 -9.926 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.995 7.016 -10.720 1.00 0.00 H new ATOM 786 N TYR A 57 -1.581 6.971 -2.037 1.00 0.00 N ATOM 787 CA TYR A 57 -1.180 6.689 -0.669 1.00 0.00 C ATOM 788 C TYR A 57 -0.623 5.269 -0.542 1.00 0.00 C ATOM 789 O TYR A 57 -1.221 4.317 -1.042 1.00 0.00 O ATOM 790 CB TYR A 57 -2.451 6.802 0.175 1.00 0.00 C ATOM 791 CG TYR A 57 -3.169 8.148 0.040 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.468 9.266 -0.362 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.517 8.242 0.322 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.144 10.532 -0.488 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.192 9.506 0.196 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.472 10.590 -0.203 1.00 0.00 C ATOM 797 OH TYR A 57 -5.110 11.785 -0.321 1.00 0.00 O ATOM 0 H TYR A 57 -2.496 6.603 -2.298 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.401 7.381 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.137 6.005 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.195 6.641 1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.413 9.192 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.065 7.366 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.608 11.415 -0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.246 9.593 0.413 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.534 12.015 0.532 1.00 0.00 H new ATOM 807 N GLU A 58 0.514 5.172 0.130 1.00 0.00 N ATOM 808 CA GLU A 58 1.159 3.885 0.329 1.00 0.00 C ATOM 809 C GLU A 58 0.913 3.383 1.754 1.00 0.00 C ATOM 810 O GLU A 58 1.120 4.119 2.718 1.00 0.00 O ATOM 811 CB GLU A 58 2.656 3.968 0.027 1.00 0.00 C ATOM 812 CG GLU A 58 3.332 5.033 0.895 1.00 0.00 C ATOM 813 CD GLU A 58 4.824 5.135 0.573 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.566 4.241 1.034 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.189 6.105 -0.125 1.00 0.00 O ATOM 0 H GLU A 58 1.006 5.964 0.544 1.00 0.00 H new ATOM 0 HA GLU A 58 0.722 3.170 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.121 2.999 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.806 4.204 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.854 5.999 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.199 4.787 1.949 1.00 0.00 H new ATOM 822 N TRP A 59 0.478 2.136 1.840 1.00 0.00 N ATOM 823 CA TRP A 59 0.202 1.527 3.131 1.00 0.00 C ATOM 824 C TRP A 59 0.670 0.072 3.077 1.00 0.00 C ATOM 825 O TRP A 59 0.595 -0.569 2.031 1.00 0.00 O ATOM 826 CB TRP A 59 -1.276 1.666 3.498 1.00 0.00 C ATOM 827 CG TRP A 59 -1.725 0.746 4.636 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.282 -0.469 4.544 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.628 1.018 6.050 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.552 -0.998 5.789 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.142 -0.065 6.734 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.125 2.141 6.728 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.202 -0.131 8.131 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.191 2.060 8.125 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.705 0.977 8.828 1.00 0.00 C ATOM 0 H TRP A 59 0.309 1.530 1.037 1.00 0.00 H new ATOM 0 HA TRP A 59 0.748 2.039 3.923 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.474 2.700 3.781 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.880 1.456 2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.493 -0.971 3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.975 -1.906 5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.719 2.999 6.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.610 -0.990 8.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.816 2.897 8.695 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.721 0.990 9.908 1.00 0.00 H new ATOM 846 N PRO A 60 1.156 -0.420 4.249 1.00 0.00 N ATOM 847 CA PRO A 60 1.636 -1.788 4.345 1.00 0.00 C ATOM 848 C PRO A 60 0.470 -2.778 4.373 1.00 0.00 C ATOM 849 O PRO A 60 -0.535 -2.539 5.040 1.00 0.00 O ATOM 850 CB PRO A 60 2.475 -1.822 5.612 1.00 0.00 C ATOM 851 CG PRO A 60 2.057 -0.605 6.423 1.00 0.00 C ATOM 852 CD PRO A 60 1.261 0.312 5.508 1.00 0.00 C ATOM 0 HA PRO A 60 2.230 -2.087 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.301 -2.742 6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.539 -1.788 5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.455 -0.906 7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.933 -0.088 6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.277 0.528 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.766 1.268 5.369 1.00 0.00 H new ATOM 860 N ILE A 61 0.644 -3.869 3.641 1.00 0.00 N ATOM 861 CA ILE A 61 -0.381 -4.895 3.574 1.00 0.00 C ATOM 862 C ILE A 61 0.111 -6.149 4.298 1.00 0.00 C ATOM 863 O ILE A 61 1.090 -6.767 3.882 1.00 0.00 O ATOM 864 CB ILE A 61 -0.795 -5.146 2.122 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.054 -6.013 2.052 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.360 -5.747 1.320 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.278 -6.541 0.635 1.00 0.00 C ATOM 0 H ILE A 61 1.480 -4.064 3.090 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.285 -4.564 4.086 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.040 -4.187 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.963 -6.849 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.919 -5.430 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.040 -5.916 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.206 -5.059 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.659 -6.695 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.179 -7.154 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.393 -5.702 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.422 -7.144 0.332 1.00 0.00 H new ATOM 879 N LEU A 62 -0.590 -6.489 5.371 1.00 0.00 N ATOM 880 CA LEU A 62 -0.236 -7.658 6.156 1.00 0.00 C ATOM 881 C LEU A 62 -0.912 -8.894 5.558 1.00 0.00 C ATOM 882 O LEU A 62 -2.133 -8.929 5.415 1.00 0.00 O ATOM 883 CB LEU A 62 -0.567 -7.432 7.633 1.00 0.00 C ATOM 884 CG LEU A 62 0.084 -6.210 8.287 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.463 -5.987 9.697 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.609 -6.332 8.275 1.00 0.00 C ATOM 0 H LEU A 62 -1.401 -5.975 5.714 1.00 0.00 H new ATOM 0 HA LEU A 62 0.839 -7.831 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.649 -7.340 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.270 -8.320 8.191 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.174 -5.328 7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.016 -5.113 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.540 -5.825 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.256 -6.864 10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.048 -5.452 8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.907 -7.224 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.960 -6.407 7.246 1.00 0.00 H new ATOM 898 N SER A 63 -0.088 -9.876 5.225 1.00 0.00 N ATOM 899 CA SER A 63 -0.591 -11.110 4.644 1.00 0.00 C ATOM 900 C SER A 63 -1.663 -11.717 5.553 1.00 0.00 C ATOM 901 O SER A 63 -2.460 -12.543 5.112 1.00 0.00 O ATOM 902 CB SER A 63 0.542 -12.113 4.417 1.00 0.00 C ATOM 903 OG SER A 63 0.710 -12.423 3.036 1.00 0.00 O ATOM 0 H SER A 63 0.924 -9.843 5.346 1.00 0.00 H new ATOM 0 HA SER A 63 -1.034 -10.877 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.472 -11.705 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.333 -13.028 4.971 1.00 0.00 H new ATOM 0 HG SER A 63 1.218 -11.707 2.599 1.00 0.00 H new ATOM 909 N SER A 64 -1.646 -11.284 6.805 1.00 0.00 N ATOM 910 CA SER A 64 -2.606 -11.773 7.779 1.00 0.00 C ATOM 911 C SER A 64 -3.954 -11.077 7.581 1.00 0.00 C ATOM 912 O SER A 64 -4.975 -11.532 8.097 1.00 0.00 O ATOM 913 CB SER A 64 -2.101 -11.557 9.207 1.00 0.00 C ATOM 914 OG SER A 64 -0.679 -11.566 9.277 1.00 0.00 O ATOM 0 H SER A 64 -0.982 -10.600 7.167 1.00 0.00 H new ATOM 0 HA SER A 64 -2.732 -12.845 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.477 -10.606 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.501 -12.337 9.855 1.00 0.00 H new ATOM 0 HG SER A 64 -0.396 -11.423 10.204 1.00 0.00 H new ATOM 920 N GLY A 65 -3.915 -9.983 6.834 1.00 0.00 N ATOM 921 CA GLY A 65 -5.121 -9.220 6.562 1.00 0.00 C ATOM 922 C GLY A 65 -5.475 -8.314 7.744 1.00 0.00 C ATOM 923 O GLY A 65 -6.651 -8.096 8.033 1.00 0.00 O ATOM 0 H GLY A 65 -3.067 -9.607 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.979 -8.616 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.948 -9.900 6.360 1.00 0.00 H new ATOM 927 N ASP A 66 -4.436 -7.813 8.396 1.00 0.00 N ATOM 928 CA ASP A 66 -4.623 -6.937 9.540 1.00 0.00 C ATOM 929 C ASP A 66 -4.191 -5.517 9.165 1.00 0.00 C ATOM 930 O ASP A 66 -3.800 -5.263 8.027 1.00 0.00 O ATOM 931 CB ASP A 66 -3.772 -7.392 10.727 1.00 0.00 C ATOM 932 CG ASP A 66 -4.324 -8.594 11.496 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.807 -9.527 10.819 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.251 -8.551 12.742 1.00 0.00 O ATOM 0 H ASP A 66 -3.462 -7.997 8.154 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.676 -6.967 9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.774 -7.638 10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.663 -6.556 11.418 1.00 0.00 H new ATOM 939 N VAL A 67 -4.276 -4.629 10.144 1.00 0.00 N ATOM 940 CA VAL A 67 -3.899 -3.242 9.932 1.00 0.00 C ATOM 941 C VAL A 67 -2.528 -2.989 10.560 1.00 0.00 C ATOM 942 O VAL A 67 -2.414 -2.852 11.778 1.00 0.00 O ATOM 943 CB VAL A 67 -4.988 -2.314 10.478 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.470 -0.882 10.613 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.241 -2.364 9.601 1.00 0.00 C ATOM 0 H VAL A 67 -4.601 -4.843 11.087 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.813 -3.028 8.867 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.261 -2.666 11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.263 -0.244 11.003 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.621 -0.865 11.297 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.156 -0.515 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.999 -1.696 10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.989 -2.049 8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.629 -3.382 9.578 1.00 0.00 H new ATOM 955 N TYR A 68 -1.521 -2.933 9.702 1.00 0.00 N ATOM 956 CA TYR A 68 -0.162 -2.698 10.158 1.00 0.00 C ATOM 957 C TYR A 68 -0.121 -1.598 11.220 1.00 0.00 C ATOM 958 O TYR A 68 -0.905 -0.650 11.167 1.00 0.00 O ATOM 959 CB TYR A 68 0.621 -2.233 8.928 1.00 0.00 C ATOM 960 CG TYR A 68 2.138 -2.206 9.129 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.830 -3.385 9.314 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.813 -1.002 9.125 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.258 -3.360 9.504 1.00 0.00 C ATOM 964 CE2 TYR A 68 4.240 -0.977 9.314 1.00 0.00 C ATOM 965 CZ TYR A 68 4.892 -2.157 9.494 1.00 0.00 C ATOM 966 OH TYR A 68 6.240 -2.133 9.673 1.00 0.00 O ATOM 0 H TYR A 68 -1.619 -3.046 8.693 1.00 0.00 H new ATOM 0 HA TYR A 68 0.255 -3.602 10.602 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.387 -2.891 8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.284 -1.234 8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.301 -4.327 9.316 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.271 -0.079 8.980 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.812 -4.275 9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.781 -0.042 9.313 1.00 0.00 H new ATOM 0 HH TYR A 68 6.539 -2.998 10.024 1.00 0.00 H new ATOM 976 N SER A 69 0.800 -1.759 12.158 1.00 0.00 N ATOM 977 CA SER A 69 0.952 -0.790 13.230 1.00 0.00 C ATOM 978 C SER A 69 2.107 0.162 12.915 1.00 0.00 C ATOM 979 O SER A 69 2.743 0.696 13.824 1.00 0.00 O ATOM 980 CB SER A 69 1.190 -1.486 14.572 1.00 0.00 C ATOM 981 OG SER A 69 2.267 -2.418 14.506 1.00 0.00 O ATOM 0 H SER A 69 1.448 -2.545 12.198 1.00 0.00 H new ATOM 0 HA SER A 69 0.028 -0.217 13.307 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.404 -0.738 15.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.281 -2.003 14.878 1.00 0.00 H new ATOM 0 HG SER A 69 2.389 -2.840 15.382 1.00 0.00 H new ATOM 987 N GLY A 70 2.345 0.348 11.625 1.00 0.00 N ATOM 988 CA GLY A 70 3.411 1.227 11.179 1.00 0.00 C ATOM 989 C GLY A 70 4.777 0.699 11.623 1.00 0.00 C ATOM 990 O GLY A 70 4.872 -0.053 12.591 1.00 0.00 O ATOM 0 H GLY A 70 1.817 -0.096 10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.386 1.313 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.255 2.228 11.582 1.00 0.00 H new ATOM 994 N GLY A 71 5.803 1.116 10.893 1.00 0.00 N ATOM 995 CA GLY A 71 7.159 0.695 11.200 1.00 0.00 C ATOM 996 C GLY A 71 7.938 0.382 9.921 1.00 0.00 C ATOM 997 O GLY A 71 8.096 1.245 9.059 1.00 0.00 O ATOM 0 H GLY A 71 5.721 1.740 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.670 1.480 11.758 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.134 -0.187 11.840 1.00 0.00 H new ATOM 1001 N SER A 72 8.405 -0.856 9.839 1.00 0.00 N ATOM 1002 CA SER A 72 9.163 -1.294 8.679 1.00 0.00 C ATOM 1003 C SER A 72 8.476 -2.496 8.028 1.00 0.00 C ATOM 1004 O SER A 72 8.971 -3.619 8.112 1.00 0.00 O ATOM 1005 CB SER A 72 10.600 -1.648 9.064 1.00 0.00 C ATOM 1006 OG SER A 72 11.544 -1.152 8.119 1.00 0.00 O ATOM 0 H SER A 72 8.273 -1.569 10.557 1.00 0.00 H new ATOM 0 HA SER A 72 9.198 -0.473 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.823 -1.237 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.698 -2.731 9.140 1.00 0.00 H new ATOM 0 HG SER A 72 12.450 -1.397 8.402 1.00 0.00 H new ATOM 1012 N PRO A 73 7.316 -2.212 7.377 1.00 0.00 N ATOM 1013 CA PRO A 73 6.557 -3.256 6.711 1.00 0.00 C ATOM 1014 C PRO A 73 7.230 -3.676 5.403 1.00 0.00 C ATOM 1015 O PRO A 73 6.698 -4.502 4.664 1.00 0.00 O ATOM 1016 CB PRO A 73 5.173 -2.665 6.503 1.00 0.00 C ATOM 1017 CG PRO A 73 5.337 -1.159 6.637 1.00 0.00 C ATOM 1018 CD PRO A 73 6.700 -0.893 7.256 1.00 0.00 C ATOM 0 HA PRO A 73 6.500 -4.173 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.779 -2.929 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.470 -3.048 7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.260 -0.678 5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.546 -0.743 7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.298 -0.233 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.606 -0.409 8.228 1.00 0.00 H new ATOM 1026 N GLY A 74 8.391 -3.086 5.157 1.00 0.00 N ATOM 1027 CA GLY A 74 9.142 -3.388 3.950 1.00 0.00 C ATOM 1028 C GLY A 74 8.926 -4.839 3.518 1.00 0.00 C ATOM 1029 O GLY A 74 9.368 -5.766 4.195 1.00 0.00 O ATOM 0 H GLY A 74 8.830 -2.401 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.834 -2.717 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.203 -3.211 4.124 1.00 0.00 H new ATOM 1033 N ALA A 75 8.243 -4.992 2.392 1.00 0.00 N ATOM 1034 CA ALA A 75 7.963 -6.316 1.861 1.00 0.00 C ATOM 1035 C ALA A 75 6.601 -6.301 1.164 1.00 0.00 C ATOM 1036 O ALA A 75 6.502 -6.627 -0.019 1.00 0.00 O ATOM 1037 CB ALA A 75 8.028 -7.344 2.992 1.00 0.00 C ATOM 0 H ALA A 75 7.876 -4.222 1.833 1.00 0.00 H new ATOM 0 HA ALA A 75 8.711 -6.600 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.818 -8.337 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.023 -7.334 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.289 -7.095 3.753 1.00 0.00 H new ATOM 1043 N ASP A 76 5.585 -5.922 1.926 1.00 0.00 N ATOM 1044 CA ASP A 76 4.234 -5.863 1.396 1.00 0.00 C ATOM 1045 C ASP A 76 3.617 -4.504 1.736 1.00 0.00 C ATOM 1046 O ASP A 76 3.509 -4.143 2.907 1.00 0.00 O ATOM 1047 CB ASP A 76 3.351 -6.950 2.012 1.00 0.00 C ATOM 1048 CG ASP A 76 3.855 -8.381 1.812 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.400 -8.643 0.718 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.682 -9.180 2.758 1.00 0.00 O ATOM 0 H ASP A 76 5.671 -5.653 2.906 1.00 0.00 H new ATOM 0 HA ASP A 76 4.289 -6.012 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.258 -6.759 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.351 -6.870 1.586 1.00 0.00 H new ATOM 1055 N ARG A 77 3.228 -3.788 0.691 1.00 0.00 N ATOM 1056 CA ARG A 77 2.625 -2.478 0.865 1.00 0.00 C ATOM 1057 C ARG A 77 1.582 -2.225 -0.225 1.00 0.00 C ATOM 1058 O ARG A 77 1.751 -2.657 -1.364 1.00 0.00 O ATOM 1059 CB ARG A 77 3.683 -1.374 0.814 1.00 0.00 C ATOM 1060 CG ARG A 77 4.794 -1.632 1.835 1.00 0.00 C ATOM 1061 CD ARG A 77 4.522 -0.883 3.141 1.00 0.00 C ATOM 1062 NE ARG A 77 5.464 0.250 3.281 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.675 0.156 3.848 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.096 -1.020 4.333 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.461 1.237 3.931 1.00 0.00 N ATOM 0 H ARG A 77 3.319 -4.091 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 77 2.145 -2.461 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.110 -1.320 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.217 -0.409 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.869 -2.701 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.752 -1.316 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.495 -0.517 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.628 -1.561 3.988 1.00 0.00 H new ATOM 0 HE ARG A 77 5.173 1.160 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.495 -1.842 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.017 -1.093 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.138 2.132 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.382 1.166 4.362 1.00 0.00 H new ATOM 1079 N VAL A 78 0.525 -1.526 0.161 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.545 -1.210 -0.768 1.00 0.00 C ATOM 1081 C VAL A 78 -0.565 0.299 -1.024 1.00 0.00 C ATOM 1082 O VAL A 78 -0.402 1.091 -0.098 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.876 -1.743 -0.234 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.837 -1.889 1.288 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.040 -0.849 -0.669 1.00 0.00 C ATOM 0 H VAL A 78 0.387 -1.169 1.107 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.375 -1.700 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.036 -2.733 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.795 -2.269 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.045 -2.584 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.643 -0.917 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.974 -1.251 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.888 0.159 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.088 -0.818 -1.758 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.765 0.650 -2.286 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.808 2.049 -2.676 1.00 0.00 C ATOM 1097 C VAL A 79 -2.218 2.397 -3.156 1.00 0.00 C ATOM 1098 O VAL A 79 -2.784 1.696 -3.993 1.00 0.00 O ATOM 1099 CB VAL A 79 0.268 2.333 -3.726 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.130 3.752 -4.282 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.668 2.101 -3.153 1.00 0.00 C ATOM 0 H VAL A 79 -0.899 -0.010 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.588 2.690 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 79 0.124 1.635 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.907 3.928 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.850 3.867 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.235 4.472 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.414 2.310 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.827 2.763 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.761 1.065 -2.829 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.745 3.481 -2.604 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.079 3.931 -2.965 1.00 0.00 C ATOM 1113 C PHE A 80 -4.152 5.458 -2.998 1.00 0.00 C ATOM 1114 O PHE A 80 -3.123 6.132 -3.038 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.033 3.410 -1.889 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.814 4.031 -0.509 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.665 3.782 0.174 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.768 4.833 0.036 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.461 4.359 1.456 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.564 5.410 1.318 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.415 5.161 2.000 1.00 0.00 C ATOM 0 H PHE A 80 -2.272 4.060 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.341 3.560 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.059 3.602 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.921 2.329 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.907 3.145 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.681 5.031 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.548 4.161 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.322 6.046 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.260 5.600 2.974 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.377 5.961 -2.981 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.598 7.397 -3.008 1.00 0.00 C ATOM 1133 C ASN A 81 -6.629 7.771 -1.941 1.00 0.00 C ATOM 1134 O ASN A 81 -6.948 6.963 -1.070 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.139 7.845 -4.367 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.737 6.863 -5.469 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.940 7.164 -6.343 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.330 5.676 -5.379 1.00 0.00 N ATOM 0 H ASN A 81 -6.228 5.399 -2.949 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.644 7.889 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.225 7.922 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.759 8.839 -4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.127 4.951 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.987 5.490 -4.622 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.122 8.996 -2.045 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.111 9.487 -1.099 1.00 0.00 C ATOM 1147 C GLU A 82 -9.524 9.182 -1.603 1.00 0.00 C ATOM 1148 O GLU A 82 -10.482 9.847 -1.213 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.931 10.985 -0.846 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.381 11.360 0.567 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.071 12.828 0.870 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -6.868 13.167 0.858 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.043 13.576 1.108 1.00 0.00 O ATOM 0 H GLU A 82 -6.856 9.663 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.965 8.972 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.884 11.257 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.506 11.553 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.451 11.182 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.879 10.721 1.294 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.607 8.176 -2.461 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.886 7.775 -3.021 1.00 0.00 C ATOM 1162 C ASN A 83 -11.298 6.427 -2.427 1.00 0.00 C ATOM 1163 O ASN A 83 -12.487 6.128 -2.321 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.796 7.614 -4.540 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.341 7.652 -5.011 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.760 8.701 -5.229 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.787 6.451 -5.153 1.00 0.00 N ATOM 0 H ASN A 83 -8.810 7.627 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.616 8.549 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.253 6.670 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.360 8.409 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.818 6.369 -5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.331 5.612 -4.953 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.293 5.649 -2.053 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.536 4.340 -1.471 1.00 0.00 C ATOM 1176 C ASN A 84 -10.165 3.258 -2.489 1.00 0.00 C ATOM 1177 O ASN A 84 -10.637 2.126 -2.396 1.00 0.00 O ATOM 1178 CB ASN A 84 -12.013 4.162 -1.111 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.833 3.765 -2.340 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.894 3.170 -2.243 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.287 4.128 -3.496 1.00 0.00 N ATOM 0 H ASN A 84 -9.308 5.900 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.932 4.255 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.114 3.398 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.403 5.090 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.759 3.911 -4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.396 4.624 -3.506 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.322 3.645 -3.435 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.883 2.722 -4.468 1.00 0.00 C ATOM 1190 C GLN A 85 -7.528 2.115 -4.096 1.00 0.00 C ATOM 1191 O GLN A 85 -7.033 2.325 -2.989 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.816 3.416 -5.830 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.215 3.802 -6.317 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.137 4.676 -7.569 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.627 4.330 -8.632 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.496 5.828 -7.387 1.00 0.00 N ATOM 0 H GLN A 85 -8.932 4.584 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.613 1.916 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.193 4.308 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.343 2.755 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.790 2.902 -6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.744 4.337 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.109 6.057 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.392 6.482 -8.163 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.968 1.375 -5.041 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.680 0.737 -4.826 1.00 0.00 C ATOM 1207 C LEU A 86 -4.785 0.980 -6.044 1.00 0.00 C ATOM 1208 O LEU A 86 -5.183 0.708 -7.175 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.866 -0.743 -4.487 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.592 -1.590 -4.453 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.141 -1.956 -5.869 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.487 -0.886 -3.663 1.00 0.00 C ATOM 0 H LEU A 86 -7.382 1.203 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.176 1.178 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.351 -0.814 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.549 -1.179 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.814 -2.522 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.234 -2.558 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.927 -2.526 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.941 -1.046 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.593 -1.509 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.258 0.071 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.822 -0.718 -2.640 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.594 1.491 -5.769 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.640 1.774 -6.828 1.00 0.00 C ATOM 1226 C ALA A 87 -2.066 0.458 -7.357 1.00 0.00 C ATOM 1227 O ALA A 87 -1.795 0.330 -8.550 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.553 2.712 -6.298 1.00 0.00 C ATOM 0 H ALA A 87 -3.268 1.716 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.130 2.279 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.837 2.925 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.009 3.643 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.038 2.237 -5.463 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.899 -0.487 -6.444 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.363 -1.789 -6.805 1.00 0.00 C ATOM 1236 C GLY A 88 -0.928 -2.567 -5.561 1.00 0.00 C ATOM 1237 O GLY A 88 -1.582 -2.496 -4.521 1.00 0.00 O ATOM 0 H GLY A 88 -2.125 -0.378 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.117 -2.358 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.513 -1.663 -7.475 1.00 0.00 H new ATOM 1241 N VAL A 89 0.172 -3.289 -5.708 1.00 0.00 N ATOM 1242 CA VAL A 89 0.701 -4.079 -4.610 1.00 0.00 C ATOM 1243 C VAL A 89 2.228 -4.124 -4.707 1.00 0.00 C ATOM 1244 O VAL A 89 2.785 -4.999 -5.368 1.00 0.00 O ATOM 1245 CB VAL A 89 0.061 -5.469 -4.609 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.699 -6.365 -3.544 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.453 -5.375 -4.412 1.00 0.00 C ATOM 0 H VAL A 89 0.712 -3.344 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 89 0.450 -3.619 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 89 0.244 -5.924 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.226 -7.347 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.764 -6.471 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.561 -5.916 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.883 -6.377 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.667 -4.891 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.890 -4.790 -5.221 1.00 0.00 H new ATOM 1257 N ILE A 90 2.859 -3.169 -4.042 1.00 0.00 N ATOM 1258 CA ILE A 90 4.310 -3.088 -4.046 1.00 0.00 C ATOM 1259 C ILE A 90 4.872 -4.024 -2.974 1.00 0.00 C ATOM 1260 O ILE A 90 4.141 -4.476 -2.094 1.00 0.00 O ATOM 1261 CB ILE A 90 4.767 -1.636 -3.893 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.514 -1.128 -2.473 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.110 -0.742 -4.947 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.161 0.361 -2.477 1.00 0.00 C ATOM 0 H ILE A 90 2.393 -2.444 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 90 4.706 -3.424 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 90 5.843 -1.597 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.702 -1.696 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.400 -1.293 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.451 0.285 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.384 -1.092 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.027 -0.782 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.986 0.696 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.985 0.929 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.260 0.520 -3.070 1.00 0.00 H new ATOM 1276 N THR A 91 6.166 -4.290 -3.084 1.00 0.00 N ATOM 1277 CA THR A 91 6.834 -5.164 -2.136 1.00 0.00 C ATOM 1278 C THR A 91 8.350 -4.978 -2.216 1.00 0.00 C ATOM 1279 O THR A 91 8.866 -4.471 -3.211 1.00 0.00 O ATOM 1280 CB THR A 91 6.382 -6.599 -2.416 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.427 -7.403 -1.875 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.388 -6.933 -3.909 1.00 0.00 C ATOM 0 H THR A 91 6.769 -3.915 -3.816 1.00 0.00 H new ATOM 0 HA THR A 91 6.562 -4.917 -1.110 1.00 0.00 H new ATOM 0 HB THR A 91 5.380 -6.750 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.160 -7.737 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.059 -7.962 -4.053 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.712 -6.259 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.397 -6.816 -4.304 1.00 0.00 H new ATOM 1290 N HIS A 92 9.023 -5.399 -1.155 1.00 0.00 N ATOM 1291 CA HIS A 92 10.470 -5.285 -1.092 1.00 0.00 C ATOM 1292 C HIS A 92 11.110 -6.504 -1.760 1.00 0.00 C ATOM 1293 O HIS A 92 12.328 -6.559 -1.923 1.00 0.00 O ATOM 1294 CB HIS A 92 10.937 -5.085 0.351 1.00 0.00 C ATOM 1295 CG HIS A 92 10.674 -3.703 0.897 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.632 -2.970 1.575 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.554 -2.926 0.855 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.101 -1.807 1.924 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.812 -1.782 1.477 1.00 0.00 N ATOM 0 H HIS A 92 8.592 -5.820 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 92 10.793 -4.401 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.439 -5.816 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.006 -5.289 0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.616 -3.196 0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.600 -1.018 2.467 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.155 -1.011 1.600 1.00 0.00 H new ATOM 1308 N THR A 93 10.260 -7.451 -2.127 1.00 0.00 N ATOM 1309 CA THR A 93 10.727 -8.666 -2.774 1.00 0.00 C ATOM 1310 C THR A 93 11.968 -8.376 -3.620 1.00 0.00 C ATOM 1311 O THR A 93 11.857 -8.040 -4.797 1.00 0.00 O ATOM 1312 CB THR A 93 9.565 -9.249 -3.579 1.00 0.00 C ATOM 1313 OG1 THR A 93 8.927 -10.144 -2.672 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.039 -10.152 -4.721 1.00 0.00 C ATOM 0 H THR A 93 9.251 -7.402 -1.989 1.00 0.00 H new ATOM 0 HA THR A 93 11.039 -9.410 -2.041 1.00 0.00 H new ATOM 0 HB THR A 93 8.961 -8.437 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.160 -10.565 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.175 -10.540 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.665 -9.577 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.615 -10.983 -4.313 1.00 0.00 H new ATOM 1322 N GLY A 94 13.124 -8.518 -2.985 1.00 0.00 N ATOM 1323 CA GLY A 94 14.385 -8.276 -3.665 1.00 0.00 C ATOM 1324 C GLY A 94 14.231 -7.197 -4.737 1.00 0.00 C ATOM 1325 O GLY A 94 14.794 -7.312 -5.826 1.00 0.00 O ATOM 0 H GLY A 94 13.213 -8.797 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.140 -7.969 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.739 -9.200 -4.122 1.00 0.00 H new ATOM 1329 N ALA A 95 13.466 -6.170 -4.394 1.00 0.00 N ATOM 1330 CA ALA A 95 13.231 -5.070 -5.313 1.00 0.00 C ATOM 1331 C ALA A 95 14.567 -4.410 -5.663 1.00 0.00 C ATOM 1332 O ALA A 95 14.795 -4.031 -6.811 1.00 0.00 O ATOM 1333 CB ALA A 95 12.240 -4.086 -4.689 1.00 0.00 C ATOM 0 H ALA A 95 13.001 -6.077 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 95 12.789 -5.433 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.064 -3.261 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.299 -4.597 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.650 -3.698 -3.757 1.00 0.00 H new ATOM 1339 N SER A 96 15.415 -4.292 -4.652 1.00 0.00 N ATOM 1340 CA SER A 96 16.721 -3.684 -4.838 1.00 0.00 C ATOM 1341 C SER A 96 17.030 -2.740 -3.675 1.00 0.00 C ATOM 1342 O SER A 96 17.549 -1.644 -3.880 1.00 0.00 O ATOM 1343 CB SER A 96 16.793 -2.930 -6.167 1.00 0.00 C ATOM 1344 OG SER A 96 17.939 -2.085 -6.240 1.00 0.00 O ATOM 0 H SER A 96 15.223 -4.607 -3.701 1.00 0.00 H new ATOM 0 HA SER A 96 17.467 -4.478 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.817 -3.645 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.892 -2.330 -6.293 1.00 0.00 H new ATOM 0 HG SER A 96 17.894 -1.411 -5.530 1.00 0.00 H new ATOM 1350 N GLY A 97 16.696 -3.199 -2.477 1.00 0.00 N ATOM 1351 CA GLY A 97 16.931 -2.409 -1.281 1.00 0.00 C ATOM 1352 C GLY A 97 15.610 -1.965 -0.648 1.00 0.00 C ATOM 1353 O GLY A 97 14.802 -2.799 -0.243 1.00 0.00 O ATOM 0 H GLY A 97 16.265 -4.108 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.505 -2.994 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.531 -1.534 -1.531 1.00 0.00 H new ATOM 1357 N ASN A 98 15.432 -0.654 -0.584 1.00 0.00 N ATOM 1358 CA ASN A 98 14.223 -0.090 -0.008 1.00 0.00 C ATOM 1359 C ASN A 98 13.216 0.194 -1.125 1.00 0.00 C ATOM 1360 O ASN A 98 12.066 0.537 -0.855 1.00 0.00 O ATOM 1361 CB ASN A 98 14.518 1.228 0.708 1.00 0.00 C ATOM 1362 CG ASN A 98 13.264 1.772 1.394 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.214 2.903 1.852 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.254 0.907 1.440 1.00 0.00 N ATOM 0 H ASN A 98 16.105 0.034 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 98 13.823 -0.808 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.304 1.076 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.891 1.960 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.372 1.175 1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.361 -0.024 1.038 1.00 0.00 H new ATOM 1371 N ASN A 99 13.685 0.039 -2.355 1.00 0.00 N ATOM 1372 CA ASN A 99 12.840 0.274 -3.512 1.00 0.00 C ATOM 1373 C ASN A 99 11.659 -0.698 -3.483 1.00 0.00 C ATOM 1374 O ASN A 99 11.781 -1.814 -2.979 1.00 0.00 O ATOM 1375 CB ASN A 99 13.610 0.043 -4.814 1.00 0.00 C ATOM 1376 CG ASN A 99 13.836 -1.451 -5.059 1.00 0.00 C ATOM 1377 OD1 ASN A 99 13.810 -1.933 -6.179 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.060 -2.152 -3.951 1.00 0.00 N ATOM 0 H ASN A 99 14.639 -0.246 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 99 12.498 1.308 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.057 0.473 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.570 0.557 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.224 -3.157 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.068 -1.684 -3.045 1.00 0.00 H new ATOM 1385 N PHE A 100 10.542 -0.240 -4.029 1.00 0.00 N ATOM 1386 CA PHE A 100 9.340 -1.056 -4.072 1.00 0.00 C ATOM 1387 C PHE A 100 9.085 -1.582 -5.485 1.00 0.00 C ATOM 1388 O PHE A 100 9.705 -1.124 -6.444 1.00 0.00 O ATOM 1389 CB PHE A 100 8.174 -0.157 -3.656 1.00 0.00 C ATOM 1390 CG PHE A 100 7.975 -0.056 -2.142 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.705 -1.174 -1.416 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.067 1.151 -1.523 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.519 -1.080 -0.011 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.882 1.245 -0.118 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.612 0.127 0.608 1.00 0.00 C ATOM 0 H PHE A 100 10.444 0.686 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 100 9.449 -1.914 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.338 0.843 -4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.257 -0.536 -4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.632 -2.133 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.281 2.039 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.304 -1.967 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.956 2.204 0.374 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.471 0.198 1.676 1.00 0.00 H new ATOM 1405 N VAL A 101 8.169 -2.537 -5.570 1.00 0.00 N ATOM 1406 CA VAL A 101 7.825 -3.131 -6.850 1.00 0.00 C ATOM 1407 C VAL A 101 6.490 -3.870 -6.722 1.00 0.00 C ATOM 1408 O VAL A 101 6.275 -4.607 -5.761 1.00 0.00 O ATOM 1409 CB VAL A 101 8.963 -4.031 -7.334 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.220 -3.214 -7.633 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.257 -5.136 -6.317 1.00 0.00 C ATOM 0 H VAL A 101 7.655 -2.913 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 101 7.698 -2.358 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 101 8.644 -4.505 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.013 -3.879 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.001 -2.481 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.543 -2.699 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.070 -5.762 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.546 -4.688 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.365 -5.746 -6.175 1.00 0.00 H new ATOM 1421 N GLU A 102 5.630 -3.646 -7.704 1.00 0.00 N ATOM 1422 CA GLU A 102 4.323 -4.282 -7.713 1.00 0.00 C ATOM 1423 C GLU A 102 4.472 -5.802 -7.633 1.00 0.00 C ATOM 1424 O GLU A 102 5.154 -6.407 -8.458 1.00 0.00 O ATOM 1425 CB GLU A 102 3.524 -3.873 -8.952 1.00 0.00 C ATOM 1426 CG GLU A 102 4.454 -3.447 -10.089 1.00 0.00 C ATOM 1427 CD GLU A 102 3.757 -3.577 -11.446 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.564 -3.213 -11.507 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.435 -4.038 -12.390 1.00 0.00 O ATOM 0 H GLU A 102 5.812 -3.033 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 102 3.770 -3.945 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.902 -4.706 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.852 -3.053 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.772 -2.415 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.354 -4.062 -10.078 1.00 0.00 H new ATOM 1436 N CYS A 103 3.822 -6.376 -6.632 1.00 0.00 N ATOM 1437 CA CYS A 103 3.873 -7.815 -6.433 1.00 0.00 C ATOM 1438 C CYS A 103 3.402 -8.494 -7.719 1.00 0.00 C ATOM 1439 O CYS A 103 3.366 -7.870 -8.779 1.00 0.00 O ATOM 1440 CB CYS A 103 3.044 -8.248 -5.222 1.00 0.00 C ATOM 1441 SG CYS A 103 3.501 -7.434 -3.648 1.00 0.00 S ATOM 0 H CYS A 103 3.257 -5.871 -5.949 1.00 0.00 H new ATOM 0 HA CYS A 103 4.897 -8.119 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.993 -8.045 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.142 -9.327 -5.099 1.00 0.00 H new ATOM 0 HG CYS A 103 2.691 -7.822 -2.708 1.00 0.00 H new ATOM 1446 N THR A 104 3.053 -9.766 -7.586 1.00 0.00 N ATOM 1447 CA THR A 104 2.586 -10.537 -8.726 1.00 0.00 C ATOM 1448 C THR A 104 1.099 -10.864 -8.574 1.00 0.00 C ATOM 1449 O THR A 104 0.472 -11.370 -9.504 1.00 0.00 O ATOM 1450 CB THR A 104 3.471 -11.778 -8.851 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.185 -12.529 -7.675 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.961 -11.449 -8.730 1.00 0.00 C ATOM 0 H THR A 104 3.084 -10.281 -6.706 1.00 0.00 H new ATOM 0 HA THR A 104 2.669 -9.966 -9.651 1.00 0.00 H new ATOM 0 HB THR A 104 3.283 -12.263 -9.809 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.713 -12.179 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.545 -12.365 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.245 -10.753 -9.519 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.156 -10.995 -7.759 1.00 0.00 H new