USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=37 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 91 THR OG1 : rot 72:sc= 1.65 USER MOD Set 1.2: A 93 THR OG1 : rot 90:sc= 0.00582 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -14.5! C(o=-20!,f=-21!) USER MOD Set 2.2: A 98 ASN : amide:sc= -5.58! C(o=-20!,f=-17!) USER MOD Set 3.1: A 81 ASN : amide:sc= -21.5! C(o=-54!,f=-29!) USER MOD Set 3.2: A 83 ASN : amide:sc= -21.8! C(o=-54!,f=-26!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.6! K(o=-54!,f=-29) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -8.65! C(o=-13!,f=-18!) USER MOD Set 4.2: A 57 TYR OH : rot -37:sc= -3.86! USER MOD Set 5.1: A 36 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.5!) USER MOD Set 5.2: A 38 TYR OH : rot 120:sc= 0 USER MOD Set 6.1: A 6 CYS SG : rot -34:sc= -23.9! USER MOD Set 6.2: A 9 ASN : amide:sc= -26.3! C(o=-94!,f=-95!) USER MOD Set 6.3: A 11 TYR OH : rot 32:sc= -6.77! USER MOD Set 6.4: A 103 CYS SG : rot 176:sc= -36.7! USER MOD Set 7.1: A 2 CYS SG : rot 176:sc= -18.6! USER MOD Set 7.2: A 10 CYS SG : rot -79:sc= -30! USER MOD Single : A 1 ALA N :NH3+ -170:sc= -0.201 (180deg=-0.393) USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 THR OG1 : rot -74:sc= 0.98 USER MOD Single : A 8 SER OG : rot 65:sc= 0.963 USER MOD Single : A 12 SER OG : rot 180:sc= -4.43! USER MOD Single : A 13 SER OG : rot 180:sc= 0.0497 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= -12.9! C(o=-13!,f=-21!) USER MOD Single : A 24 TYR OH : rot 38:sc= -10.4! 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 37 SER OG : rot 58:sc= 0.241 USER MOD Single : A 40 HIS : no HE2:sc= -7.86! C(o=-7.9!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0443) USER MOD Single : A 42 TYR OH : rot 56:sc= -3.77! USER MOD Single : A 43 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.091) USER MOD Single : A 44 ASN : amide:sc= -0.571 K(o=-0.57,f=-0.027) 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 15:sc= 0.685 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= -1.12 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= -14.6! C(o=-15!,f=-7.8!) USER MOD Single : A 96 SER OG : rot -51:sc= 0.00316 USER MOD Single : A 99 ASN : amide:sc= -14.3! C(o=-14!,f=-16!) USER MOD Single : A 104 THR OG1 : rot -57:sc= 0.756 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.768 -16.111 -6.861 1.00 0.00 N ATOM 2 CA ALA A 1 -7.767 -16.065 -5.409 1.00 0.00 C ATOM 3 C ALA A 1 -6.671 -15.108 -4.934 1.00 0.00 C ATOM 4 O ALA A 1 -6.654 -14.707 -3.771 1.00 0.00 O ATOM 5 CB ALA A 1 -7.587 -17.479 -4.853 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.611 -16.622 -7.192 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.780 -15.142 -7.239 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.914 -16.602 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.719 -15.687 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.586 -17.444 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.406 -18.112 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.640 -17.890 -5.204 1.00 0.00 H new ATOM 11 N CYS A 2 -5.784 -14.771 -5.859 1.00 0.00 N ATOM 12 CA CYS A 2 -4.687 -13.869 -5.549 1.00 0.00 C ATOM 13 C CYS A 2 -4.156 -13.291 -6.862 1.00 0.00 C ATOM 14 O CYS A 2 -3.811 -14.037 -7.778 1.00 0.00 O ATOM 15 CB CYS A 2 -3.589 -14.568 -4.746 1.00 0.00 C ATOM 16 SG CYS A 2 -3.983 -16.281 -4.237 1.00 0.00 S ATOM 0 H CYS A 2 -5.802 -15.106 -6.822 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.047 -13.058 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.676 -14.582 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.379 -13.978 -3.854 1.00 0.00 H new ATOM 0 HG CYS A 2 -2.950 -16.807 -3.648 1.00 0.00 H new ATOM 21 N ASP A 3 -4.105 -11.969 -6.912 1.00 0.00 N ATOM 22 CA ASP A 3 -3.620 -11.283 -8.099 1.00 0.00 C ATOM 23 C ASP A 3 -2.384 -10.458 -7.735 1.00 0.00 C ATOM 24 O ASP A 3 -1.698 -9.941 -8.616 1.00 0.00 O ATOM 25 CB ASP A 3 -4.679 -10.328 -8.654 1.00 0.00 C ATOM 26 CG ASP A 3 -5.575 -10.920 -9.744 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.492 -12.152 -9.939 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.322 -10.128 -10.357 1.00 0.00 O ATOM 0 H ASP A 3 -4.391 -11.354 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.383 -12.035 -8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.309 -9.990 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.178 -9.447 -9.055 1.00 0.00 H new ATOM 33 N TYR A 4 -2.138 -10.358 -6.437 1.00 0.00 N ATOM 34 CA TYR A 4 -0.996 -9.606 -5.948 1.00 0.00 C ATOM 35 C TYR A 4 -0.212 -10.412 -4.910 1.00 0.00 C ATOM 36 O TYR A 4 -0.382 -10.215 -3.708 1.00 0.00 O ATOM 37 CB TYR A 4 -1.572 -8.356 -5.277 1.00 0.00 C ATOM 38 CG TYR A 4 -2.315 -7.422 -6.233 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.605 -6.624 -7.108 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.694 -7.377 -6.222 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.305 -5.745 -8.009 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.393 -6.498 -7.122 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.664 -5.725 -7.972 1.00 0.00 C ATOM 44 OH TYR A 4 -4.324 -4.895 -8.822 1.00 0.00 O ATOM 0 H TYR A 4 -2.711 -10.786 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.315 -9.367 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.253 -8.664 -4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.760 -7.804 -4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.526 -6.659 -7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.249 -8.002 -5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.762 -5.116 -8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.472 -6.453 -7.123 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.269 -5.150 -8.860 1.00 0.00 H new ATOM 54 N THR A 5 0.631 -11.301 -5.413 1.00 0.00 N ATOM 55 CA THR A 5 1.443 -12.137 -4.545 1.00 0.00 C ATOM 56 C THR A 5 2.809 -11.491 -4.307 1.00 0.00 C ATOM 57 O THR A 5 3.673 -11.516 -5.182 1.00 0.00 O ATOM 58 CB THR A 5 1.531 -13.529 -5.176 1.00 0.00 C ATOM 59 OG1 THR A 5 0.323 -14.168 -4.775 1.00 0.00 O ATOM 60 CG2 THR A 5 2.633 -14.386 -4.551 1.00 0.00 C ATOM 0 H THR A 5 0.770 -11.461 -6.411 1.00 0.00 H new ATOM 0 HA THR A 5 0.991 -12.239 -3.559 1.00 0.00 H new ATOM 0 HB THR A 5 1.711 -13.432 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.380 -14.410 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.653 -15.363 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.597 -13.895 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.436 -14.512 -3.486 1.00 0.00 H new ATOM 68 N CYS A 6 2.962 -10.927 -3.118 1.00 0.00 N ATOM 69 CA CYS A 6 4.209 -10.275 -2.753 1.00 0.00 C ATOM 70 C CYS A 6 5.206 -11.353 -2.324 1.00 0.00 C ATOM 71 O CYS A 6 5.650 -11.371 -1.177 1.00 0.00 O ATOM 72 CB CYS A 6 3.999 -9.224 -1.662 1.00 0.00 C ATOM 73 SG CYS A 6 3.380 -7.609 -2.260 1.00 0.00 S ATOM 0 H CYS A 6 2.243 -10.908 -2.395 1.00 0.00 H new ATOM 0 HA CYS A 6 4.606 -9.736 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.295 -9.618 -0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.944 -9.065 -1.143 1.00 0.00 H new ATOM 0 HG CYS A 6 3.881 -7.360 -3.433 1.00 0.00 H new ATOM 78 N GLY A 7 5.530 -12.224 -3.269 1.00 0.00 N ATOM 79 CA GLY A 7 6.467 -13.302 -3.002 1.00 0.00 C ATOM 80 C GLY A 7 5.856 -14.339 -2.057 1.00 0.00 C ATOM 81 O GLY A 7 5.828 -15.528 -2.371 1.00 0.00 O ATOM 0 H GLY A 7 5.161 -12.205 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.752 -13.781 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.378 -12.896 -2.562 1.00 0.00 H new ATOM 85 N SER A 8 5.383 -13.850 -0.921 1.00 0.00 N ATOM 86 CA SER A 8 4.774 -14.720 0.071 1.00 0.00 C ATOM 87 C SER A 8 3.420 -14.154 0.504 1.00 0.00 C ATOM 88 O SER A 8 3.156 -14.013 1.697 1.00 0.00 O ATOM 89 CB SER A 8 5.688 -14.897 1.285 1.00 0.00 C ATOM 90 OG SER A 8 5.664 -13.759 2.142 1.00 0.00 O ATOM 0 H SER A 8 5.409 -12.863 -0.665 1.00 0.00 H new ATOM 0 HA SER A 8 4.623 -15.700 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.379 -15.779 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.709 -15.075 0.947 1.00 0.00 H new ATOM 0 HG SER A 8 4.768 -13.656 2.524 1.00 0.00 H new ATOM 96 N ASN A 9 2.599 -13.844 -0.489 1.00 0.00 N ATOM 97 CA ASN A 9 1.280 -13.296 -0.225 1.00 0.00 C ATOM 98 C ASN A 9 0.278 -13.888 -1.219 1.00 0.00 C ATOM 99 O ASN A 9 0.632 -14.748 -2.024 1.00 0.00 O ATOM 100 CB ASN A 9 1.272 -11.775 -0.394 1.00 0.00 C ATOM 101 CG ASN A 9 2.399 -11.127 0.412 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.177 -10.331 1.309 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.618 -11.512 0.043 1.00 0.00 N ATOM 0 H ASN A 9 2.822 -13.962 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 9 1.010 -13.546 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.383 -11.522 -1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.312 -11.375 -0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.438 -11.137 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.733 -12.183 -0.717 1.00 0.00 H new ATOM 110 N CYS A 10 -0.952 -13.403 -1.130 1.00 0.00 N ATOM 111 CA CYS A 10 -2.007 -13.874 -2.010 1.00 0.00 C ATOM 112 C CYS A 10 -3.273 -13.065 -1.719 1.00 0.00 C ATOM 113 O CYS A 10 -4.284 -13.621 -1.292 1.00 0.00 O ATOM 114 CB CYS A 10 -2.243 -15.378 -1.858 1.00 0.00 C ATOM 115 SG CYS A 10 -2.732 -16.238 -3.398 1.00 0.00 S ATOM 0 H CYS A 10 -1.241 -12.689 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.711 -13.723 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.332 -15.838 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.018 -15.536 -1.108 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.997 -16.041 -3.622 1.00 0.00 H new ATOM 120 N TYR A 11 -3.176 -11.767 -1.960 1.00 0.00 N ATOM 121 CA TYR A 11 -4.301 -10.876 -1.728 1.00 0.00 C ATOM 122 C TYR A 11 -4.587 -10.022 -2.964 1.00 0.00 C ATOM 123 O TYR A 11 -3.941 -8.997 -3.178 1.00 0.00 O ATOM 124 CB TYR A 11 -3.883 -9.961 -0.576 1.00 0.00 C ATOM 125 CG TYR A 11 -2.384 -9.657 -0.533 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.708 -9.357 -1.699 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.709 -9.683 0.669 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.298 -9.071 -1.659 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.298 -9.396 0.710 1.00 0.00 C ATOM 130 CZ TYR A 11 0.338 -9.105 -0.457 1.00 0.00 C ATOM 131 OH TYR A 11 1.670 -8.835 -0.419 1.00 0.00 O ATOM 0 H TYR A 11 -2.336 -11.310 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.203 -11.446 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.431 -9.022 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.176 -10.424 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.237 -9.337 -2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.238 -9.919 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.243 -8.835 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.242 -9.411 1.645 1.00 0.00 H new ATOM 0 HH TYR A 11 1.893 -8.191 -1.123 1.00 0.00 H new ATOM 141 N SER A 12 -5.556 -10.474 -3.746 1.00 0.00 N ATOM 142 CA SER A 12 -5.937 -9.764 -4.955 1.00 0.00 C ATOM 143 C SER A 12 -6.416 -8.354 -4.604 1.00 0.00 C ATOM 144 O SER A 12 -6.489 -7.992 -3.431 1.00 0.00 O ATOM 145 CB SER A 12 -7.025 -10.519 -5.719 1.00 0.00 C ATOM 146 OG SER A 12 -6.480 -11.362 -6.731 1.00 0.00 O ATOM 0 H SER A 12 -6.089 -11.324 -3.566 1.00 0.00 H new ATOM 0 HA SER A 12 -5.061 -9.694 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.607 -11.121 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.711 -9.804 -6.173 1.00 0.00 H new ATOM 0 HG SER A 12 -7.207 -11.828 -7.195 1.00 0.00 H new ATOM 152 N SER A 13 -6.730 -7.594 -5.644 1.00 0.00 N ATOM 153 CA SER A 13 -7.201 -6.232 -5.461 1.00 0.00 C ATOM 154 C SER A 13 -8.351 -6.207 -4.452 1.00 0.00 C ATOM 155 O SER A 13 -8.678 -5.155 -3.904 1.00 0.00 O ATOM 156 CB SER A 13 -7.648 -5.620 -6.790 1.00 0.00 C ATOM 157 OG SER A 13 -8.071 -6.614 -7.720 1.00 0.00 O ATOM 0 H SER A 13 -6.667 -7.896 -6.616 1.00 0.00 H new ATOM 0 HA SER A 13 -6.375 -5.634 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.464 -4.920 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.826 -5.047 -7.220 1.00 0.00 H new ATOM 0 HG SER A 13 -8.350 -6.183 -8.555 1.00 0.00 H new ATOM 163 N SER A 14 -8.933 -7.378 -4.238 1.00 0.00 N ATOM 164 CA SER A 14 -10.040 -7.502 -3.305 1.00 0.00 C ATOM 165 C SER A 14 -9.509 -7.609 -1.874 1.00 0.00 C ATOM 166 O SER A 14 -10.177 -7.195 -0.927 1.00 0.00 O ATOM 167 CB SER A 14 -10.908 -8.717 -3.640 1.00 0.00 C ATOM 168 OG SER A 14 -12.041 -8.817 -2.780 1.00 0.00 O ATOM 0 H SER A 14 -8.659 -8.248 -4.694 1.00 0.00 H new ATOM 0 HA SER A 14 -10.661 -6.610 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.243 -8.649 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.309 -9.624 -3.558 1.00 0.00 H new ATOM 0 HG SER A 14 -12.571 -9.604 -3.027 1.00 0.00 H new ATOM 174 N ASP A 15 -8.312 -8.166 -1.761 1.00 0.00 N ATOM 175 CA ASP A 15 -7.683 -8.332 -0.462 1.00 0.00 C ATOM 176 C ASP A 15 -7.001 -7.023 -0.059 1.00 0.00 C ATOM 177 O ASP A 15 -7.057 -6.621 1.102 1.00 0.00 O ATOM 178 CB ASP A 15 -6.617 -9.428 -0.501 1.00 0.00 C ATOM 179 CG ASP A 15 -7.114 -10.828 -0.133 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.939 -11.359 -0.909 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.659 -11.335 0.914 1.00 0.00 O ATOM 0 H ASP A 15 -7.761 -8.508 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.457 -8.608 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.190 -9.462 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.811 -9.154 0.180 1.00 0.00 H new ATOM 186 N VAL A 16 -6.372 -6.394 -1.041 1.00 0.00 N ATOM 187 CA VAL A 16 -5.679 -5.140 -0.805 1.00 0.00 C ATOM 188 C VAL A 16 -6.655 -4.131 -0.194 1.00 0.00 C ATOM 189 O VAL A 16 -6.365 -3.528 0.839 1.00 0.00 O ATOM 190 CB VAL A 16 -5.039 -4.642 -2.102 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.422 -3.254 -1.912 1.00 0.00 C ATOM 192 CG2 VAL A 16 -3.999 -5.638 -2.617 1.00 0.00 C ATOM 0 H VAL A 16 -6.328 -6.730 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.867 -5.281 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.825 -4.559 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.974 -2.924 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.197 -2.549 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.655 -3.300 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.559 -5.260 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.217 -5.767 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.479 -6.598 -2.810 1.00 0.00 H new ATOM 202 N SER A 17 -7.791 -3.978 -0.859 1.00 0.00 N ATOM 203 CA SER A 17 -8.811 -3.053 -0.395 1.00 0.00 C ATOM 204 C SER A 17 -8.876 -3.069 1.134 1.00 0.00 C ATOM 205 O SER A 17 -8.796 -2.021 1.773 1.00 0.00 O ATOM 206 CB SER A 17 -10.178 -3.398 -0.988 1.00 0.00 C ATOM 207 OG SER A 17 -11.178 -2.457 -0.606 1.00 0.00 O ATOM 0 H SER A 17 -8.027 -4.479 -1.715 1.00 0.00 H new ATOM 0 HA SER A 17 -8.542 -2.051 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.105 -3.428 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.474 -4.395 -0.661 1.00 0.00 H new ATOM 0 HG SER A 17 -12.036 -2.711 -1.006 1.00 0.00 H new ATOM 213 N THR A 18 -9.020 -4.270 1.675 1.00 0.00 N ATOM 214 CA THR A 18 -9.096 -4.436 3.117 1.00 0.00 C ATOM 215 C THR A 18 -7.971 -3.659 3.803 1.00 0.00 C ATOM 216 O THR A 18 -8.223 -2.863 4.707 1.00 0.00 O ATOM 217 CB THR A 18 -9.073 -5.936 3.421 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.448 -6.311 3.419 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.607 -6.236 4.847 1.00 0.00 C ATOM 0 H THR A 18 -9.086 -5.137 1.141 1.00 0.00 H new ATOM 0 HA THR A 18 -10.023 -4.023 3.515 1.00 0.00 H new ATOM 0 HB THR A 18 -8.418 -6.441 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.526 -7.270 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.609 -7.314 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.598 -5.849 4.989 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.282 -5.759 5.558 1.00 0.00 H new ATOM 227 N ALA A 19 -6.753 -3.918 3.350 1.00 0.00 N ATOM 228 CA ALA A 19 -5.589 -3.253 3.909 1.00 0.00 C ATOM 229 C ALA A 19 -5.744 -1.740 3.745 1.00 0.00 C ATOM 230 O ALA A 19 -5.440 -0.978 4.663 1.00 0.00 O ATOM 231 CB ALA A 19 -4.324 -3.786 3.235 1.00 0.00 C ATOM 0 H ALA A 19 -6.547 -4.580 2.602 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.503 -3.462 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.450 -3.287 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.245 -4.860 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.373 -3.592 2.164 1.00 0.00 H new ATOM 237 N GLN A 20 -6.216 -1.349 2.572 1.00 0.00 N ATOM 238 CA GLN A 20 -6.416 0.060 2.276 1.00 0.00 C ATOM 239 C GLN A 20 -7.351 0.692 3.309 1.00 0.00 C ATOM 240 O GLN A 20 -6.990 1.670 3.962 1.00 0.00 O ATOM 241 CB GLN A 20 -6.955 0.252 0.858 1.00 0.00 C ATOM 242 CG GLN A 20 -6.158 -0.579 -0.150 1.00 0.00 C ATOM 243 CD GLN A 20 -6.882 -0.650 -1.496 1.00 0.00 C ATOM 244 OE1 GLN A 20 -6.958 -1.687 -2.135 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.406 0.507 -1.890 1.00 0.00 N ATOM 0 H GLN A 20 -6.466 -1.983 1.814 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.451 0.563 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.006 -0.037 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.905 1.306 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.170 -0.141 -0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.009 -1.586 0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.306 1.337 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.908 0.564 -2.776 1.00 0.00 H new ATOM 254 N ALA A 21 -8.533 0.107 3.425 1.00 0.00 N ATOM 255 CA ALA A 21 -9.523 0.601 4.367 1.00 0.00 C ATOM 256 C ALA A 21 -8.818 1.079 5.638 1.00 0.00 C ATOM 257 O ALA A 21 -9.222 2.072 6.241 1.00 0.00 O ATOM 258 CB ALA A 21 -10.552 -0.497 4.650 1.00 0.00 C ATOM 0 H ALA A 21 -8.828 -0.705 2.882 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.060 1.452 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.295 -0.126 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.046 -0.781 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.049 -1.366 5.074 1.00 0.00 H new ATOM 264 N ALA A 22 -7.774 0.351 6.008 1.00 0.00 N ATOM 265 CA ALA A 22 -7.008 0.688 7.194 1.00 0.00 C ATOM 266 C ALA A 22 -6.258 2.001 6.957 1.00 0.00 C ATOM 267 O ALA A 22 -6.456 2.974 7.681 1.00 0.00 O ATOM 268 CB ALA A 22 -6.067 -0.467 7.542 1.00 0.00 C ATOM 0 H ALA A 22 -7.441 -0.472 5.506 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.670 0.836 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.492 -0.213 8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.651 -1.368 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.386 -0.645 6.710 1.00 0.00 H new ATOM 274 N GLY A 23 -5.410 1.984 5.938 1.00 0.00 N ATOM 275 CA GLY A 23 -4.629 3.160 5.595 1.00 0.00 C ATOM 276 C GLY A 23 -5.536 4.369 5.357 1.00 0.00 C ATOM 277 O GLY A 23 -5.191 5.490 5.728 1.00 0.00 O ATOM 0 H GLY A 23 -5.247 1.174 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.926 3.381 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.039 2.961 4.700 1.00 0.00 H new ATOM 281 N TYR A 24 -6.676 4.102 4.737 1.00 0.00 N ATOM 282 CA TYR A 24 -7.634 5.154 4.445 1.00 0.00 C ATOM 283 C TYR A 24 -8.231 5.725 5.733 1.00 0.00 C ATOM 284 O TYR A 24 -8.033 6.898 6.046 1.00 0.00 O ATOM 285 CB TYR A 24 -8.748 4.496 3.629 1.00 0.00 C ATOM 286 CG TYR A 24 -9.260 5.353 2.470 1.00 0.00 C ATOM 287 CD1 TYR A 24 -10.266 6.271 2.683 1.00 0.00 C ATOM 288 CD2 TYR A 24 -8.715 5.206 1.210 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.748 7.079 1.592 1.00 0.00 C ATOM 290 CE2 TYR A 24 -9.197 6.012 0.119 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.190 6.909 0.364 1.00 0.00 C ATOM 292 OH TYR A 24 -10.645 7.671 -0.667 1.00 0.00 O ATOM 0 H TYR A 24 -6.958 3.171 4.429 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.153 5.973 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.383 3.548 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.582 4.264 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.693 6.385 3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.927 4.486 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.534 7.803 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.780 5.907 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.839 8.576 -0.344 1.00 0.00 H new ATOM 302 N LYS A 25 -8.949 4.870 6.445 1.00 0.00 N ATOM 303 CA LYS A 25 -9.576 5.274 7.692 1.00 0.00 C ATOM 304 C LYS A 25 -8.646 6.234 8.437 1.00 0.00 C ATOM 305 O LYS A 25 -8.999 7.388 8.674 1.00 0.00 O ATOM 306 CB LYS A 25 -9.980 4.047 8.512 1.00 0.00 C ATOM 307 CG LYS A 25 -10.708 4.460 9.793 1.00 0.00 C ATOM 308 CD LYS A 25 -12.091 5.031 9.478 1.00 0.00 C ATOM 309 CE LYS A 25 -12.911 5.219 10.757 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.606 3.962 11.116 1.00 0.00 N ATOM 0 H LYS A 25 -9.111 3.898 6.182 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.502 5.815 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.625 3.402 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.093 3.466 8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.808 3.598 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.117 5.203 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.986 5.987 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.619 4.362 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.257 5.526 11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.640 6.017 10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.158 4.107 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.244 3.685 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.905 3.210 11.272 1.00 0.00 H new ATOM 324 N LEU A 26 -7.476 5.720 8.787 1.00 0.00 N ATOM 325 CA LEU A 26 -6.493 6.516 9.501 1.00 0.00 C ATOM 326 C LEU A 26 -6.150 7.757 8.674 1.00 0.00 C ATOM 327 O LEU A 26 -5.917 8.831 9.228 1.00 0.00 O ATOM 328 CB LEU A 26 -5.275 5.664 9.865 1.00 0.00 C ATOM 329 CG LEU A 26 -4.113 6.404 10.530 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.140 6.214 12.048 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.773 5.981 9.923 1.00 0.00 C ATOM 0 H LEU A 26 -7.187 4.762 8.589 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.903 6.866 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.601 4.866 10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.905 5.189 8.957 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.231 7.470 10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.304 6.750 12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.077 6.604 12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.059 5.153 12.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.964 6.522 10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.631 4.910 10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.768 6.210 8.857 1.00 0.00 H new ATOM 343 N HIS A 27 -6.131 7.568 7.363 1.00 0.00 N ATOM 344 CA HIS A 27 -5.821 8.659 6.455 1.00 0.00 C ATOM 345 C HIS A 27 -6.923 9.719 6.529 1.00 0.00 C ATOM 346 O HIS A 27 -6.640 10.903 6.702 1.00 0.00 O ATOM 347 CB HIS A 27 -5.596 8.137 5.034 1.00 0.00 C ATOM 348 CG HIS A 27 -5.420 9.223 4.001 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.368 10.122 4.029 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.173 9.544 2.910 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.492 10.944 2.997 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.611 10.585 2.306 1.00 0.00 N ATOM 0 H HIS A 27 -6.325 6.676 6.908 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.888 9.133 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.713 7.498 5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.443 7.513 4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.073 9.038 2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.824 11.755 2.747 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.960 11.041 1.463 1.00 0.00 H new ATOM 361 N GLU A 28 -8.156 9.253 6.395 1.00 0.00 N ATOM 362 CA GLU A 28 -9.302 10.145 6.444 1.00 0.00 C ATOM 363 C GLU A 28 -9.321 10.912 7.768 1.00 0.00 C ATOM 364 O GLU A 28 -9.859 12.015 7.843 1.00 0.00 O ATOM 365 CB GLU A 28 -10.607 9.373 6.239 1.00 0.00 C ATOM 366 CG GLU A 28 -10.332 7.889 5.987 1.00 0.00 C ATOM 367 CD GLU A 28 -11.638 7.117 5.786 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.702 7.766 5.877 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.542 5.893 5.547 1.00 0.00 O ATOM 0 H GLU A 28 -8.386 8.270 6.253 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.213 10.865 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.242 9.485 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.154 9.794 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.700 7.777 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.783 7.469 6.829 1.00 0.00 H new ATOM 376 N ASP A 29 -8.726 10.298 8.779 1.00 0.00 N ATOM 377 CA ASP A 29 -8.668 10.908 10.097 1.00 0.00 C ATOM 378 C ASP A 29 -7.405 11.765 10.200 1.00 0.00 C ATOM 379 O ASP A 29 -7.294 12.610 11.088 1.00 0.00 O ATOM 380 CB ASP A 29 -8.610 9.845 11.195 1.00 0.00 C ATOM 381 CG ASP A 29 -9.968 9.291 11.631 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.693 8.800 10.738 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.250 9.370 12.845 1.00 0.00 O ATOM 0 H ASP A 29 -8.279 9.383 8.713 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.565 11.512 10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.992 9.018 10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.111 10.271 12.066 1.00 0.00 H new ATOM 388 N GLY A 30 -6.482 11.517 9.283 1.00 0.00 N ATOM 389 CA GLY A 30 -5.231 12.254 9.260 1.00 0.00 C ATOM 390 C GLY A 30 -4.277 11.751 10.346 1.00 0.00 C ATOM 391 O GLY A 30 -3.370 12.469 10.763 1.00 0.00 O ATOM 0 H GLY A 30 -6.576 10.815 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.761 12.150 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.428 13.316 9.407 1.00 0.00 H new ATOM 395 N GLU A 31 -4.516 10.520 10.774 1.00 0.00 N ATOM 396 CA GLU A 31 -3.691 9.912 11.804 1.00 0.00 C ATOM 397 C GLU A 31 -2.636 9.003 11.170 1.00 0.00 C ATOM 398 O GLU A 31 -2.621 8.818 9.955 1.00 0.00 O ATOM 399 CB GLU A 31 -4.548 9.140 12.809 1.00 0.00 C ATOM 400 CG GLU A 31 -5.307 10.095 13.731 1.00 0.00 C ATOM 401 CD GLU A 31 -4.360 10.761 14.731 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.649 11.696 14.303 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.367 10.319 15.900 1.00 0.00 O ATOM 0 H GLU A 31 -5.269 9.927 10.426 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.179 10.706 12.348 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.255 8.504 12.276 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.914 8.482 13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.809 10.858 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.082 9.548 14.268 1.00 0.00 H new ATOM 410 N THR A 32 -1.778 8.461 12.022 1.00 0.00 N ATOM 411 CA THR A 32 -0.722 7.576 11.561 1.00 0.00 C ATOM 412 C THR A 32 -0.716 6.283 12.377 1.00 0.00 C ATOM 413 O THR A 32 -1.376 6.193 13.411 1.00 0.00 O ATOM 414 CB THR A 32 0.600 8.343 11.627 1.00 0.00 C ATOM 415 OG1 THR A 32 0.602 8.919 12.931 1.00 0.00 O ATOM 416 CG2 THR A 32 0.624 9.551 10.688 1.00 0.00 C ATOM 0 H THR A 32 -1.793 8.618 13.030 1.00 0.00 H new ATOM 0 HA THR A 32 -0.885 7.270 10.528 1.00 0.00 H new ATOM 0 HB THR A 32 1.422 7.672 11.377 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.426 9.434 13.060 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.584 10.060 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.482 9.216 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.177 10.239 10.960 1.00 0.00 H new ATOM 424 N VAL A 33 0.038 5.311 11.882 1.00 0.00 N ATOM 425 CA VAL A 33 0.138 4.027 12.553 1.00 0.00 C ATOM 426 C VAL A 33 1.610 3.720 12.839 1.00 0.00 C ATOM 427 O VAL A 33 2.458 3.856 11.959 1.00 0.00 O ATOM 428 CB VAL A 33 -0.545 2.944 11.716 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.794 3.495 11.023 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.425 2.341 10.699 1.00 0.00 C ATOM 0 H VAL A 33 0.585 5.388 11.024 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.382 4.055 13.511 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.858 2.147 12.391 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.261 2.706 10.434 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.498 3.853 11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.513 4.319 10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.087 1.574 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.784 3.123 10.030 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.271 1.895 11.223 1.00 0.00 H new ATOM 440 N GLY A 34 1.868 3.312 14.073 1.00 0.00 N ATOM 441 CA GLY A 34 3.221 2.985 14.485 1.00 0.00 C ATOM 442 C GLY A 34 4.011 4.250 14.828 1.00 0.00 C ATOM 443 O GLY A 34 3.426 5.281 15.154 1.00 0.00 O ATOM 0 H GLY A 34 1.162 3.201 14.801 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.191 2.324 15.351 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.727 2.441 13.687 1.00 0.00 H new ATOM 447 N SER A 35 5.327 4.128 14.744 1.00 0.00 N ATOM 448 CA SER A 35 6.203 5.248 15.041 1.00 0.00 C ATOM 449 C SER A 35 6.509 6.028 13.761 1.00 0.00 C ATOM 450 O SER A 35 7.024 7.143 13.816 1.00 0.00 O ATOM 451 CB SER A 35 7.502 4.774 15.696 1.00 0.00 C ATOM 452 OG SER A 35 8.095 5.790 16.501 1.00 0.00 O ATOM 0 H SER A 35 5.808 3.270 14.474 1.00 0.00 H new ATOM 0 HA SER A 35 5.691 5.904 15.745 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.299 3.897 16.310 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.206 4.466 14.923 1.00 0.00 H new ATOM 0 HG SER A 35 8.921 5.448 16.903 1.00 0.00 H new ATOM 458 N ASN A 36 6.179 5.409 12.636 1.00 0.00 N ATOM 459 CA ASN A 36 6.412 6.030 11.344 1.00 0.00 C ATOM 460 C ASN A 36 5.272 7.004 11.038 1.00 0.00 C ATOM 461 O ASN A 36 4.587 7.469 11.948 1.00 0.00 O ATOM 462 CB ASN A 36 6.452 4.984 10.228 1.00 0.00 C ATOM 463 CG ASN A 36 7.885 4.753 9.744 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.830 5.377 10.198 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.992 3.823 8.799 1.00 0.00 N ATOM 0 H ASN A 36 5.752 4.484 12.593 1.00 0.00 H new ATOM 0 HA ASN A 36 7.370 6.547 11.387 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.031 4.046 10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.831 5.313 9.394 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.907 3.595 8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.159 3.338 8.464 1.00 0.00 H new ATOM 472 N SER A 37 5.104 7.285 9.754 1.00 0.00 N ATOM 473 CA SER A 37 4.060 8.194 9.317 1.00 0.00 C ATOM 474 C SER A 37 3.210 7.532 8.231 1.00 0.00 C ATOM 475 O SER A 37 3.000 8.108 7.164 1.00 0.00 O ATOM 476 CB SER A 37 4.652 9.507 8.801 1.00 0.00 C ATOM 477 OG SER A 37 5.458 9.309 7.642 1.00 0.00 O ATOM 0 H SER A 37 5.675 6.898 9.002 1.00 0.00 H new ATOM 0 HA SER A 37 3.428 8.425 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.845 10.202 8.567 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.252 9.968 9.586 1.00 0.00 H new ATOM 0 HG SER A 37 4.921 8.888 6.938 1.00 0.00 H new ATOM 483 N TYR A 38 2.742 6.332 8.540 1.00 0.00 N ATOM 484 CA TYR A 38 1.919 5.585 7.604 1.00 0.00 C ATOM 485 C TYR A 38 0.443 5.644 8.003 1.00 0.00 C ATOM 486 O TYR A 38 0.115 5.618 9.188 1.00 0.00 O ATOM 487 CB TYR A 38 2.399 4.134 7.684 1.00 0.00 C ATOM 488 CG TYR A 38 3.813 3.916 7.142 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.827 4.785 7.491 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.074 2.850 6.306 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.158 4.579 6.982 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.406 2.645 5.796 1.00 0.00 C ATOM 493 CZ TYR A 38 6.382 3.519 6.160 1.00 0.00 C ATOM 494 OH TYR A 38 7.638 3.326 5.678 1.00 0.00 O ATOM 0 H TYR A 38 2.917 5.858 9.426 1.00 0.00 H new ATOM 0 HA TYR A 38 2.008 6.000 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.365 3.808 8.723 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.706 3.502 7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.622 5.619 8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.281 2.170 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.961 5.251 7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.624 1.816 5.139 1.00 0.00 H new ATOM 0 HH TYR A 38 7.969 2.451 5.969 1.00 0.00 H new ATOM 504 N PRO A 39 -0.431 5.724 6.964 1.00 0.00 N ATOM 505 CA PRO A 39 0.041 5.750 5.590 1.00 0.00 C ATOM 506 C PRO A 39 0.637 7.115 5.240 1.00 0.00 C ATOM 507 O PRO A 39 0.891 7.931 6.125 1.00 0.00 O ATOM 508 CB PRO A 39 -1.176 5.400 4.749 1.00 0.00 C ATOM 509 CG PRO A 39 -2.383 5.647 5.640 1.00 0.00 C ATOM 510 CD PRO A 39 -1.885 5.793 7.069 1.00 0.00 C ATOM 0 HA PRO A 39 0.850 5.042 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.221 6.016 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.139 4.361 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.912 6.547 5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.089 4.820 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.206 6.739 7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.274 4.999 7.707 1.00 0.00 H new ATOM 518 N HIS A 40 0.843 7.321 3.947 1.00 0.00 N ATOM 519 CA HIS A 40 1.404 8.574 3.470 1.00 0.00 C ATOM 520 C HIS A 40 1.480 8.551 1.941 1.00 0.00 C ATOM 521 O HIS A 40 1.296 7.505 1.322 1.00 0.00 O ATOM 522 CB HIS A 40 2.758 8.848 4.127 1.00 0.00 C ATOM 523 CG HIS A 40 3.848 7.892 3.709 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.436 7.927 2.457 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.452 6.876 4.390 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.351 6.969 2.398 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.359 6.319 3.596 1.00 0.00 N ATOM 0 H HIS A 40 0.632 6.642 3.216 1.00 0.00 H new ATOM 0 HA HIS A 40 0.754 9.401 3.755 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.068 9.865 3.885 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.641 8.799 5.210 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.205 8.579 1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.230 6.576 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.980 6.743 1.549 1.00 0.00 H new ATOM 536 N LYS A 41 1.752 9.720 1.378 1.00 0.00 N ATOM 537 CA LYS A 41 1.856 9.847 -0.066 1.00 0.00 C ATOM 538 C LYS A 41 2.873 8.833 -0.592 1.00 0.00 C ATOM 539 O LYS A 41 3.756 8.395 0.145 1.00 0.00 O ATOM 540 CB LYS A 41 2.171 11.293 -0.454 1.00 0.00 C ATOM 541 CG LYS A 41 2.010 11.504 -1.961 1.00 0.00 C ATOM 542 CD LYS A 41 0.536 11.655 -2.340 1.00 0.00 C ATOM 543 CE LYS A 41 0.000 13.026 -1.926 1.00 0.00 C ATOM 544 NZ LYS A 41 0.464 14.069 -2.869 1.00 0.00 N ATOM 0 H LYS A 41 1.903 10.586 1.895 1.00 0.00 H new ATOM 0 HA LYS A 41 0.902 9.614 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.508 11.970 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.190 11.540 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.561 12.393 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.442 10.660 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.419 11.525 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.049 10.872 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.090 13.006 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.335 13.265 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.040 14.959 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.486 14.217 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.272 13.765 -3.845 1.00 0.00 H new ATOM 558 N TYR A 42 2.717 8.490 -1.862 1.00 0.00 N ATOM 559 CA TYR A 42 3.611 7.536 -2.495 1.00 0.00 C ATOM 560 C TYR A 42 3.765 7.836 -3.988 1.00 0.00 C ATOM 561 O TYR A 42 4.836 7.632 -4.558 1.00 0.00 O ATOM 562 CB TYR A 42 2.952 6.165 -2.329 1.00 0.00 C ATOM 563 CG TYR A 42 3.520 5.085 -3.252 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.303 5.157 -4.613 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.249 4.040 -2.723 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.838 4.140 -5.482 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.784 3.023 -3.592 1.00 0.00 C ATOM 568 CZ TYR A 42 4.552 3.123 -4.928 1.00 0.00 C ATOM 569 OH TYR A 42 5.056 2.164 -5.748 1.00 0.00 O ATOM 0 H TYR A 42 1.984 8.856 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 42 4.602 7.581 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.067 5.841 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.883 6.262 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.732 5.975 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.419 3.984 -1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.676 4.184 -6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.357 2.200 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 42 5.612 2.583 -6.438 1.00 0.00 H new ATOM 579 N ASN A 43 2.681 8.316 -4.578 1.00 0.00 N ATOM 580 CA ASN A 43 2.682 8.647 -5.992 1.00 0.00 C ATOM 581 C ASN A 43 3.144 7.429 -6.795 1.00 0.00 C ATOM 582 O ASN A 43 2.361 6.516 -7.052 1.00 0.00 O ATOM 583 CB ASN A 43 3.643 9.800 -6.288 1.00 0.00 C ATOM 584 CG ASN A 43 2.910 11.143 -6.267 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.203 12.051 -7.028 1.00 0.00 O ATOM 586 ND2 ASN A 43 1.945 11.218 -5.355 1.00 0.00 N ATOM 0 H ASN A 43 1.795 8.484 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 43 1.670 8.941 -6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.445 9.808 -5.550 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.107 9.650 -7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.398 12.074 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.752 10.420 -4.750 1.00 0.00 H new ATOM 593 N ASN A 44 4.415 7.454 -7.170 1.00 0.00 N ATOM 594 CA ASN A 44 4.991 6.364 -7.939 1.00 0.00 C ATOM 595 C ASN A 44 6.171 6.891 -8.758 1.00 0.00 C ATOM 596 O ASN A 44 6.425 8.094 -8.783 1.00 0.00 O ATOM 597 CB ASN A 44 3.967 5.774 -8.910 1.00 0.00 C ATOM 598 CG ASN A 44 3.833 6.645 -10.161 1.00 0.00 C ATOM 599 OD1 ASN A 44 3.109 7.627 -10.191 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.569 6.233 -11.189 1.00 0.00 N ATOM 0 H ASN A 44 5.062 8.213 -6.955 1.00 0.00 H new ATOM 0 HA ASN A 44 5.312 5.591 -7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.269 4.766 -9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.999 5.689 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.549 6.748 -12.069 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.154 5.402 -11.097 1.00 0.00 H new ATOM 607 N TYR A 45 6.860 5.963 -9.407 1.00 0.00 N ATOM 608 CA TYR A 45 8.007 6.320 -10.225 1.00 0.00 C ATOM 609 C TYR A 45 8.736 5.069 -10.721 1.00 0.00 C ATOM 610 O TYR A 45 9.074 4.970 -11.899 1.00 0.00 O ATOM 611 CB TYR A 45 8.944 7.115 -9.315 1.00 0.00 C ATOM 612 CG TYR A 45 8.837 8.632 -9.483 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.853 9.169 -10.290 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.723 9.464 -8.829 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.752 10.596 -10.449 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.622 10.891 -8.989 1.00 0.00 C ATOM 617 CZ TYR A 45 8.641 11.387 -9.790 1.00 0.00 C ATOM 618 OH TYR A 45 8.546 12.735 -9.941 1.00 0.00 O ATOM 0 H TYR A 45 6.646 4.966 -9.383 1.00 0.00 H new ATOM 0 HA TYR A 45 7.693 6.890 -11.100 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.730 6.859 -8.277 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.971 6.810 -9.513 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.159 8.518 -10.802 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.492 9.044 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.988 11.029 -11.077 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.310 11.553 -8.484 1.00 0.00 H new ATOM 0 HH TYR A 45 9.244 13.174 -9.412 1.00 0.00 H new ATOM 628 N GLU A 46 8.957 4.147 -9.795 1.00 0.00 N ATOM 629 CA GLU A 46 9.640 2.907 -10.123 1.00 0.00 C ATOM 630 C GLU A 46 9.053 2.299 -11.398 1.00 0.00 C ATOM 631 O GLU A 46 9.676 1.443 -12.026 1.00 0.00 O ATOM 632 CB GLU A 46 9.567 1.917 -8.959 1.00 0.00 C ATOM 633 CG GLU A 46 10.256 2.480 -7.715 1.00 0.00 C ATOM 634 CD GLU A 46 11.306 3.526 -8.096 1.00 0.00 C ATOM 635 OE1 GLU A 46 10.915 4.708 -8.206 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.475 3.119 -8.269 1.00 0.00 O ATOM 0 H GLU A 46 8.675 4.234 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 46 10.692 3.130 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.525 1.694 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.039 0.977 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.513 2.929 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.729 1.670 -7.159 1.00 0.00 H new ATOM 643 N GLY A 47 7.862 2.764 -11.744 1.00 0.00 N ATOM 644 CA GLY A 47 7.185 2.277 -12.933 1.00 0.00 C ATOM 645 C GLY A 47 5.925 1.491 -12.564 1.00 0.00 C ATOM 646 O GLY A 47 5.757 0.346 -12.981 1.00 0.00 O ATOM 0 H GLY A 47 7.348 3.473 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.919 3.117 -13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.860 1.641 -13.505 1.00 0.00 H new ATOM 650 N PHE A 48 5.071 2.138 -11.784 1.00 0.00 N ATOM 651 CA PHE A 48 3.831 1.514 -11.354 1.00 0.00 C ATOM 652 C PHE A 48 2.655 1.978 -12.215 1.00 0.00 C ATOM 653 O PHE A 48 2.470 3.176 -12.427 1.00 0.00 O ATOM 654 CB PHE A 48 3.590 1.950 -9.907 1.00 0.00 C ATOM 655 CG PHE A 48 4.577 1.350 -8.904 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.398 0.080 -8.449 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.634 2.086 -8.466 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.314 -0.477 -7.519 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.550 1.529 -7.534 1.00 0.00 C ATOM 660 CZ PHE A 48 6.371 0.260 -7.081 1.00 0.00 C ATOM 0 H PHE A 48 5.213 3.087 -11.439 1.00 0.00 H new ATOM 0 HA PHE A 48 3.909 0.431 -11.446 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.647 3.037 -9.852 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.577 1.669 -9.617 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.559 -0.504 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.777 3.094 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.172 -1.485 -7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.388 2.114 -7.185 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.068 -0.164 -6.373 1.00 0.00 H new ATOM 670 N ASP A 49 1.891 1.005 -12.692 1.00 0.00 N ATOM 671 CA ASP A 49 0.739 1.299 -13.526 1.00 0.00 C ATOM 672 C ASP A 49 -0.502 1.440 -12.643 1.00 0.00 C ATOM 673 O ASP A 49 -1.441 0.653 -12.755 1.00 0.00 O ATOM 674 CB ASP A 49 0.482 0.170 -14.527 1.00 0.00 C ATOM 675 CG ASP A 49 1.728 -0.599 -14.968 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.072 -1.573 -14.264 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.308 -0.196 -15.998 1.00 0.00 O ATOM 0 H ASP A 49 2.048 0.013 -12.516 1.00 0.00 H new ATOM 0 HA ASP A 49 0.942 2.223 -14.068 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.223 -0.534 -14.085 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.001 0.590 -15.410 1.00 0.00 H new ATOM 682 N PHE A 50 -0.467 2.448 -11.783 1.00 0.00 N ATOM 683 CA PHE A 50 -1.577 2.702 -10.881 1.00 0.00 C ATOM 684 C PHE A 50 -2.814 3.167 -11.652 1.00 0.00 C ATOM 685 O PHE A 50 -2.972 4.357 -11.921 1.00 0.00 O ATOM 686 CB PHE A 50 -1.136 3.816 -9.931 1.00 0.00 C ATOM 687 CG PHE A 50 -0.094 3.378 -8.900 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.320 2.082 -8.859 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.419 4.282 -8.024 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.286 1.675 -7.902 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.385 3.876 -7.066 1.00 0.00 C ATOM 692 CZ PHE A 50 1.798 2.580 -7.026 1.00 0.00 C ATOM 0 H PHE A 50 0.313 3.098 -11.692 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.837 1.789 -10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.728 4.639 -10.517 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.011 4.201 -9.407 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.087 1.363 -9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.091 5.311 -8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.614 0.647 -7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.792 4.595 -6.370 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.533 2.270 -6.298 1.00 0.00 H new ATOM 702 N SER A 51 -3.660 2.203 -11.987 1.00 0.00 N ATOM 703 CA SER A 51 -4.879 2.499 -12.721 1.00 0.00 C ATOM 704 C SER A 51 -5.843 3.293 -11.838 1.00 0.00 C ATOM 705 O SER A 51 -7.059 3.193 -11.993 1.00 0.00 O ATOM 706 CB SER A 51 -5.548 1.216 -13.217 1.00 0.00 C ATOM 707 OG SER A 51 -5.985 0.392 -12.139 1.00 0.00 O ATOM 0 H SER A 51 -3.525 1.217 -11.764 1.00 0.00 H new ATOM 0 HA SER A 51 -4.616 3.100 -13.592 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.400 1.471 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.848 0.659 -13.839 1.00 0.00 H new ATOM 0 HG SER A 51 -6.408 -0.417 -12.496 1.00 0.00 H new ATOM 713 N VAL A 52 -5.263 4.066 -10.931 1.00 0.00 N ATOM 714 CA VAL A 52 -6.056 4.878 -10.023 1.00 0.00 C ATOM 715 C VAL A 52 -5.577 6.329 -10.092 1.00 0.00 C ATOM 716 O VAL A 52 -4.443 6.594 -10.490 1.00 0.00 O ATOM 717 CB VAL A 52 -5.993 4.294 -8.609 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.316 2.799 -8.618 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.630 4.557 -7.967 1.00 0.00 C ATOM 0 H VAL A 52 -4.254 4.147 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.105 4.868 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.749 4.796 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.264 2.409 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.320 2.646 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.595 2.275 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.612 4.132 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.848 4.095 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.456 5.632 -7.909 1.00 0.00 H new ATOM 729 N SER A 53 -6.465 7.231 -9.699 1.00 0.00 N ATOM 730 CA SER A 53 -6.146 8.648 -9.712 1.00 0.00 C ATOM 731 C SER A 53 -5.481 9.048 -8.393 1.00 0.00 C ATOM 732 O SER A 53 -5.861 8.559 -7.330 1.00 0.00 O ATOM 733 CB SER A 53 -7.399 9.493 -9.951 1.00 0.00 C ATOM 734 OG SER A 53 -7.915 9.323 -11.269 1.00 0.00 O ATOM 0 H SER A 53 -7.404 7.008 -9.370 1.00 0.00 H new ATOM 0 HA SER A 53 -5.453 8.834 -10.532 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.164 9.220 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.164 10.545 -9.787 1.00 0.00 H new ATOM 0 HG SER A 53 -8.715 9.878 -11.381 1.00 0.00 H new ATOM 740 N SER A 54 -4.499 9.931 -8.505 1.00 0.00 N ATOM 741 CA SER A 54 -3.779 10.401 -7.334 1.00 0.00 C ATOM 742 C SER A 54 -4.717 11.200 -6.428 1.00 0.00 C ATOM 743 O SER A 54 -5.852 11.488 -6.803 1.00 0.00 O ATOM 744 CB SER A 54 -2.574 11.255 -7.736 1.00 0.00 C ATOM 745 OG SER A 54 -2.890 12.644 -7.766 1.00 0.00 O ATOM 0 H SER A 54 -4.185 10.333 -9.388 1.00 0.00 H new ATOM 0 HA SER A 54 -3.410 9.533 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.758 11.084 -7.034 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.220 10.943 -8.718 1.00 0.00 H new ATOM 0 HG SER A 54 -2.095 13.155 -8.025 1.00 0.00 H new ATOM 751 N PRO A 55 -4.194 11.544 -5.221 1.00 0.00 N ATOM 752 CA PRO A 55 -2.840 11.163 -4.856 1.00 0.00 C ATOM 753 C PRO A 55 -2.765 9.677 -4.503 1.00 0.00 C ATOM 754 O PRO A 55 -3.780 9.059 -4.184 1.00 0.00 O ATOM 755 CB PRO A 55 -2.478 12.069 -3.690 1.00 0.00 C ATOM 756 CG PRO A 55 -3.795 12.598 -3.147 1.00 0.00 C ATOM 757 CD PRO A 55 -4.874 12.302 -4.176 1.00 0.00 C ATOM 0 HA PRO A 55 -2.132 11.288 -5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.932 11.519 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.834 12.886 -4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.034 12.123 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.728 13.670 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.691 11.728 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.306 13.221 -4.572 1.00 0.00 H new ATOM 765 N TYR A 56 -1.554 9.145 -4.571 1.00 0.00 N ATOM 766 CA TYR A 56 -1.332 7.743 -4.263 1.00 0.00 C ATOM 767 C TYR A 56 -0.750 7.575 -2.857 1.00 0.00 C ATOM 768 O TYR A 56 0.357 8.034 -2.582 1.00 0.00 O ATOM 769 CB TYR A 56 -0.313 7.241 -5.287 1.00 0.00 C ATOM 770 CG TYR A 56 -0.826 7.243 -6.728 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.138 6.907 -6.994 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.023 7.581 -7.762 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.621 6.909 -8.351 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.460 7.582 -9.119 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.758 7.247 -9.346 1.00 0.00 C ATOM 776 OH TYR A 56 -2.214 7.249 -10.628 1.00 0.00 O ATOM 0 H TYR A 56 -0.715 9.661 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.270 7.189 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.581 7.862 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.014 6.227 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.802 6.643 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.049 7.845 -7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.645 6.648 -8.573 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.194 7.843 -9.938 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.194 7.226 -10.627 1.00 0.00 H new ATOM 786 N TYR A 57 -1.524 6.916 -2.007 1.00 0.00 N ATOM 787 CA TYR A 57 -1.099 6.683 -0.637 1.00 0.00 C ATOM 788 C TYR A 57 -0.510 5.279 -0.477 1.00 0.00 C ATOM 789 O TYR A 57 -0.990 4.327 -1.090 1.00 0.00 O ATOM 790 CB TYR A 57 -2.361 6.794 0.221 1.00 0.00 C ATOM 791 CG TYR A 57 -3.122 8.108 0.040 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.466 9.227 -0.432 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.466 8.176 0.349 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.183 10.463 -0.603 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.183 9.413 0.179 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.506 10.495 -0.288 1.00 0.00 C ATOM 797 OH TYR A 57 -5.183 11.664 -0.449 1.00 0.00 O ATOM 0 H TYR A 57 -2.442 6.537 -2.240 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.331 7.400 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.026 5.965 -0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.085 6.687 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.415 9.175 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.980 7.301 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.682 11.345 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.234 9.479 0.417 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.601 12.415 -0.208 1.00 0.00 H new ATOM 807 N GLU A 58 0.522 5.196 0.349 1.00 0.00 N ATOM 808 CA GLU A 58 1.181 3.925 0.597 1.00 0.00 C ATOM 809 C GLU A 58 0.815 3.399 1.986 1.00 0.00 C ATOM 810 O GLU A 58 0.693 4.173 2.935 1.00 0.00 O ATOM 811 CB GLU A 58 2.698 4.055 0.442 1.00 0.00 C ATOM 812 CG GLU A 58 3.273 5.026 1.475 1.00 0.00 C ATOM 813 CD GLU A 58 3.194 4.437 2.885 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.642 3.280 3.043 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.688 5.157 3.773 1.00 0.00 O ATOM 0 H GLU A 58 0.918 5.988 0.855 1.00 0.00 H new ATOM 0 HA GLU A 58 0.833 3.207 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.164 3.077 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.936 4.404 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.311 5.252 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.725 5.967 1.439 1.00 0.00 H new ATOM 822 N TRP A 59 0.651 2.086 2.063 1.00 0.00 N ATOM 823 CA TRP A 59 0.301 1.448 3.320 1.00 0.00 C ATOM 824 C TRP A 59 0.753 -0.012 3.252 1.00 0.00 C ATOM 825 O TRP A 59 0.711 -0.629 2.189 1.00 0.00 O ATOM 826 CB TRP A 59 -1.193 1.597 3.614 1.00 0.00 C ATOM 827 CG TRP A 59 -1.701 0.691 4.737 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.288 -0.508 4.629 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.640 0.962 6.154 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.610 -1.028 5.865 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.202 -0.106 6.823 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.127 2.072 6.846 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.307 -0.168 8.218 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.238 1.994 8.240 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.801 0.927 8.928 1.00 0.00 C ATOM 0 H TRP A 59 0.754 1.447 1.275 1.00 0.00 H new ATOM 0 HA TRP A 59 0.811 1.932 4.152 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.399 2.634 3.877 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.755 1.381 2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.485 -1.006 3.691 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.064 -1.924 6.044 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.682 2.918 6.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.754 -1.014 8.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.859 2.822 8.821 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.848 0.942 10.007 1.00 0.00 H new ATOM 846 N PRO A 60 1.188 -0.535 4.429 1.00 0.00 N ATOM 847 CA PRO A 60 1.647 -1.911 4.512 1.00 0.00 C ATOM 848 C PRO A 60 0.469 -2.887 4.473 1.00 0.00 C ATOM 849 O PRO A 60 -0.546 -2.667 5.133 1.00 0.00 O ATOM 850 CB PRO A 60 2.436 -1.984 5.810 1.00 0.00 C ATOM 851 CG PRO A 60 2.001 -0.781 6.630 1.00 0.00 C ATOM 852 CD PRO A 60 1.251 0.166 5.708 1.00 0.00 C ATOM 0 HA PRO A 60 2.270 -2.198 3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.230 -2.914 6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.508 -1.958 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.363 -1.093 7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.867 -0.283 7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.254 0.383 6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.770 1.119 5.612 1.00 0.00 H new ATOM 860 N ILE A 61 0.644 -3.943 3.692 1.00 0.00 N ATOM 861 CA ILE A 61 -0.392 -4.953 3.559 1.00 0.00 C ATOM 862 C ILE A 61 0.063 -6.239 4.252 1.00 0.00 C ATOM 863 O ILE A 61 1.017 -6.879 3.815 1.00 0.00 O ATOM 864 CB ILE A 61 -0.765 -5.146 2.088 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.047 -5.971 1.951 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.397 -5.758 1.303 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.328 -6.308 0.484 1.00 0.00 C ATOM 0 H ILE A 61 1.487 -4.121 3.146 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.306 -4.629 4.056 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.965 -4.166 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.955 -6.891 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.887 -5.416 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.105 -5.885 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.262 -5.098 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.652 -6.728 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.244 -6.894 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.443 -5.386 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.497 -6.884 0.077 1.00 0.00 H new ATOM 879 N LEU A 62 -0.643 -6.579 5.321 1.00 0.00 N ATOM 880 CA LEU A 62 -0.324 -7.777 6.079 1.00 0.00 C ATOM 881 C LEU A 62 -1.028 -8.979 5.445 1.00 0.00 C ATOM 882 O LEU A 62 -2.246 -8.971 5.275 1.00 0.00 O ATOM 883 CB LEU A 62 -0.657 -7.580 7.559 1.00 0.00 C ATOM 884 CG LEU A 62 0.012 -6.386 8.244 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.576 -6.153 9.637 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.531 -6.559 8.285 1.00 0.00 C ATOM 0 H LEU A 62 -1.435 -6.046 5.680 1.00 0.00 H new ATOM 0 HA LEU A 62 0.747 -7.977 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.737 -7.471 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.378 -8.486 8.097 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.195 -5.493 7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.083 -5.299 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.644 -5.954 9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.420 -7.040 10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.982 -5.697 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.779 -7.464 8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.916 -6.639 7.268 1.00 0.00 H new ATOM 898 N SER A 63 -0.230 -9.983 5.111 1.00 0.00 N ATOM 899 CA SER A 63 -0.761 -11.189 4.500 1.00 0.00 C ATOM 900 C SER A 63 -1.852 -11.789 5.387 1.00 0.00 C ATOM 901 O SER A 63 -2.665 -12.588 4.924 1.00 0.00 O ATOM 902 CB SER A 63 0.347 -12.215 4.253 1.00 0.00 C ATOM 903 OG SER A 63 0.607 -13.007 5.409 1.00 0.00 O ATOM 0 H SER A 63 0.780 -9.986 5.252 1.00 0.00 H new ATOM 0 HA SER A 63 -1.193 -10.922 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.062 -12.864 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.259 -11.699 3.954 1.00 0.00 H new ATOM 0 HG SER A 63 1.319 -13.651 5.211 1.00 0.00 H new ATOM 909 N SER A 64 -1.836 -11.381 6.648 1.00 0.00 N ATOM 910 CA SER A 64 -2.814 -11.869 7.605 1.00 0.00 C ATOM 911 C SER A 64 -4.151 -11.153 7.398 1.00 0.00 C ATOM 912 O SER A 64 -5.188 -11.621 7.865 1.00 0.00 O ATOM 913 CB SER A 64 -2.324 -11.673 9.041 1.00 0.00 C ATOM 914 OG SER A 64 -1.592 -12.800 9.514 1.00 0.00 O ATOM 0 H SER A 64 -1.161 -10.718 7.029 1.00 0.00 H new ATOM 0 HA SER A 64 -2.952 -12.937 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.694 -10.785 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.178 -11.495 9.694 1.00 0.00 H new ATOM 0 HG SER A 64 -1.295 -12.635 10.433 1.00 0.00 H new ATOM 920 N GLY A 65 -4.082 -10.031 6.697 1.00 0.00 N ATOM 921 CA GLY A 65 -5.273 -9.246 6.423 1.00 0.00 C ATOM 922 C GLY A 65 -5.650 -8.381 7.628 1.00 0.00 C ATOM 923 O GLY A 65 -6.830 -8.207 7.927 1.00 0.00 O ATOM 0 H GLY A 65 -3.220 -9.647 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.102 -8.610 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.101 -9.910 6.174 1.00 0.00 H new ATOM 927 N ASP A 66 -4.625 -7.861 8.286 1.00 0.00 N ATOM 928 CA ASP A 66 -4.834 -7.018 9.451 1.00 0.00 C ATOM 929 C ASP A 66 -4.410 -5.586 9.122 1.00 0.00 C ATOM 930 O ASP A 66 -4.033 -5.291 7.989 1.00 0.00 O ATOM 931 CB ASP A 66 -3.993 -7.499 10.636 1.00 0.00 C ATOM 932 CG ASP A 66 -4.640 -8.595 11.485 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.665 -9.142 11.021 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.098 -8.862 12.579 1.00 0.00 O ATOM 0 H ASP A 66 -3.647 -8.007 8.035 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.891 -7.064 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.039 -7.868 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.774 -6.645 11.277 1.00 0.00 H new ATOM 939 N VAL A 67 -4.484 -4.733 10.134 1.00 0.00 N ATOM 940 CA VAL A 67 -4.113 -3.338 9.966 1.00 0.00 C ATOM 941 C VAL A 67 -2.765 -3.089 10.645 1.00 0.00 C ATOM 942 O VAL A 67 -2.699 -2.934 11.863 1.00 0.00 O ATOM 943 CB VAL A 67 -5.227 -2.432 10.496 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.724 -1.000 10.688 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.447 -2.466 9.573 1.00 0.00 C ATOM 0 H VAL A 67 -4.795 -4.981 11.073 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.994 -3.099 8.909 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.534 -2.813 11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.535 -0.377 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.901 -0.996 11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.377 -0.605 9.733 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.224 -1.814 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.161 -2.123 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.827 -3.486 9.509 1.00 0.00 H new ATOM 955 N TYR A 68 -1.723 -3.057 9.827 1.00 0.00 N ATOM 956 CA TYR A 68 -0.381 -2.828 10.333 1.00 0.00 C ATOM 957 C TYR A 68 -0.363 -1.679 11.343 1.00 0.00 C ATOM 958 O TYR A 68 -1.159 -0.746 11.240 1.00 0.00 O ATOM 959 CB TYR A 68 0.467 -2.440 9.120 1.00 0.00 C ATOM 960 CG TYR A 68 1.975 -2.564 9.350 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.539 -3.803 9.579 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.771 -1.437 9.328 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.958 -3.920 9.795 1.00 0.00 C ATOM 964 CE2 TYR A 68 4.191 -1.553 9.545 1.00 0.00 C ATOM 965 CZ TYR A 68 4.713 -2.789 9.767 1.00 0.00 C ATOM 966 OH TYR A 68 6.053 -2.899 9.971 1.00 0.00 O ATOM 0 H TYR A 68 -1.782 -3.186 8.817 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.005 -3.718 10.838 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.185 -3.070 8.276 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.236 -1.412 8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.916 -4.685 9.596 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.330 -0.468 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.412 -4.883 9.975 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.826 -0.679 9.532 1.00 0.00 H new ATOM 0 HH TYR A 68 6.362 -3.772 9.651 1.00 0.00 H new ATOM 976 N SER A 69 0.552 -1.782 12.294 1.00 0.00 N ATOM 977 CA SER A 69 0.683 -0.763 13.321 1.00 0.00 C ATOM 978 C SER A 69 1.814 0.201 12.959 1.00 0.00 C ATOM 979 O SER A 69 2.320 0.921 13.819 1.00 0.00 O ATOM 980 CB SER A 69 0.940 -1.391 14.693 1.00 0.00 C ATOM 981 OG SER A 69 2.035 -2.302 14.666 1.00 0.00 O ATOM 0 H SER A 69 1.211 -2.556 12.375 1.00 0.00 H new ATOM 0 HA SER A 69 -0.255 -0.210 13.375 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.141 -0.604 15.420 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.043 -1.912 15.027 1.00 0.00 H new ATOM 0 HG SER A 69 2.168 -2.680 15.560 1.00 0.00 H new ATOM 987 N GLY A 70 2.179 0.185 11.686 1.00 0.00 N ATOM 988 CA GLY A 70 3.241 1.049 11.199 1.00 0.00 C ATOM 989 C GLY A 70 4.604 0.587 11.716 1.00 0.00 C ATOM 990 O GLY A 70 4.688 -0.078 12.749 1.00 0.00 O ATOM 0 H GLY A 70 1.758 -0.414 10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.243 1.050 10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.056 2.075 11.518 1.00 0.00 H new ATOM 994 N GLY A 71 5.638 0.956 10.976 1.00 0.00 N ATOM 995 CA GLY A 71 6.994 0.586 11.346 1.00 0.00 C ATOM 996 C GLY A 71 7.826 0.241 10.110 1.00 0.00 C ATOM 997 O GLY A 71 8.030 1.085 9.239 1.00 0.00 O ATOM 0 H GLY A 71 5.565 1.508 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.464 1.407 11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.970 -0.269 12.022 1.00 0.00 H new ATOM 1001 N SER A 72 8.285 -1.002 10.073 1.00 0.00 N ATOM 1002 CA SER A 72 9.091 -1.468 8.957 1.00 0.00 C ATOM 1003 C SER A 72 8.411 -2.664 8.285 1.00 0.00 C ATOM 1004 O SER A 72 8.913 -3.785 8.349 1.00 0.00 O ATOM 1005 CB SER A 72 10.500 -1.849 9.417 1.00 0.00 C ATOM 1006 OG SER A 72 10.996 -0.957 10.411 1.00 0.00 O ATOM 0 H SER A 72 8.114 -1.700 10.797 1.00 0.00 H new ATOM 0 HA SER A 72 9.180 -0.655 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.490 -2.864 9.813 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.174 -1.848 8.560 1.00 0.00 H new ATOM 0 HG SER A 72 11.897 -1.235 10.680 1.00 0.00 H new ATOM 1012 N PRO A 73 7.249 -2.376 7.641 1.00 0.00 N ATOM 1013 CA PRO A 73 6.495 -3.414 6.957 1.00 0.00 C ATOM 1014 C PRO A 73 7.169 -3.804 5.641 1.00 0.00 C ATOM 1015 O PRO A 73 6.621 -4.588 4.867 1.00 0.00 O ATOM 1016 CB PRO A 73 5.106 -2.828 6.762 1.00 0.00 C ATOM 1017 CG PRO A 73 5.262 -1.324 6.922 1.00 0.00 C ATOM 1018 CD PRO A 73 6.624 -1.060 7.544 1.00 0.00 C ATOM 0 HA PRO A 73 6.445 -4.342 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.712 -3.077 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.407 -3.228 7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.181 -0.827 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.470 -0.923 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.217 -0.385 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.528 -0.594 8.525 1.00 0.00 H new ATOM 1026 N GLY A 74 8.349 -3.241 5.427 1.00 0.00 N ATOM 1027 CA GLY A 74 9.104 -3.521 4.218 1.00 0.00 C ATOM 1028 C GLY A 74 8.880 -4.961 3.752 1.00 0.00 C ATOM 1029 O GLY A 74 9.306 -5.905 4.415 1.00 0.00 O ATOM 0 H GLY A 74 8.801 -2.592 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.805 -2.830 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.166 -3.355 4.402 1.00 0.00 H new ATOM 1033 N ALA A 75 8.211 -5.084 2.615 1.00 0.00 N ATOM 1034 CA ALA A 75 7.925 -6.393 2.053 1.00 0.00 C ATOM 1035 C ALA A 75 6.574 -6.351 1.335 1.00 0.00 C ATOM 1036 O ALA A 75 6.500 -6.587 0.130 1.00 0.00 O ATOM 1037 CB ALA A 75 7.963 -7.445 3.163 1.00 0.00 C ATOM 0 H ALA A 75 7.859 -4.299 2.068 1.00 0.00 H new ATOM 0 HA ALA A 75 8.681 -6.668 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.748 -8.427 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.952 -7.455 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.216 -7.204 3.919 1.00 0.00 H new ATOM 1043 N ASP A 76 5.540 -6.050 2.106 1.00 0.00 N ATOM 1044 CA ASP A 76 4.196 -5.973 1.559 1.00 0.00 C ATOM 1045 C ASP A 76 3.585 -4.615 1.905 1.00 0.00 C ATOM 1046 O ASP A 76 3.463 -4.266 3.079 1.00 0.00 O ATOM 1047 CB ASP A 76 3.298 -7.061 2.152 1.00 0.00 C ATOM 1048 CG ASP A 76 3.816 -8.490 1.985 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.398 -8.761 0.913 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.619 -9.280 2.933 1.00 0.00 O ATOM 0 H ASP A 76 5.606 -5.856 3.105 1.00 0.00 H new ATOM 0 HA ASP A 76 4.263 -6.109 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.165 -6.861 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.314 -6.991 1.689 1.00 0.00 H new ATOM 1055 N ARG A 77 3.216 -3.884 0.863 1.00 0.00 N ATOM 1056 CA ARG A 77 2.622 -2.571 1.042 1.00 0.00 C ATOM 1057 C ARG A 77 1.578 -2.308 -0.044 1.00 0.00 C ATOM 1058 O ARG A 77 1.740 -2.741 -1.184 1.00 0.00 O ATOM 1059 CB ARG A 77 3.686 -1.472 0.993 1.00 0.00 C ATOM 1060 CG ARG A 77 4.778 -1.720 2.036 1.00 0.00 C ATOM 1061 CD ARG A 77 4.574 -0.831 3.264 1.00 0.00 C ATOM 1062 NE ARG A 77 5.652 0.181 3.341 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.851 -0.040 3.897 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.132 -1.238 4.429 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.769 0.936 3.923 1.00 0.00 N ATOM 0 H ARG A 77 3.317 -4.177 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 77 2.145 -2.555 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.130 -1.435 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.221 -0.502 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.769 -2.768 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.756 -1.522 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.604 -0.337 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.571 -1.440 4.168 1.00 0.00 H new ATOM 0 HE ARG A 77 5.471 1.104 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.433 -1.981 4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.045 -1.407 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.555 1.848 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.681 0.767 4.346 1.00 0.00 H new ATOM 1079 N VAL A 78 0.526 -1.602 0.347 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.544 -1.278 -0.580 1.00 0.00 C ATOM 1081 C VAL A 78 -0.567 0.234 -0.816 1.00 0.00 C ATOM 1082 O VAL A 78 -0.409 1.014 0.121 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.874 -1.821 -0.054 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.926 -1.758 1.474 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.056 -1.072 -0.674 1.00 0.00 C ATOM 0 H VAL A 78 0.393 -1.246 1.293 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.372 -1.756 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.949 -2.868 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.882 -2.150 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.115 -2.356 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.818 -0.723 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.989 -1.478 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.988 -0.013 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.034 -1.191 -1.757 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.766 0.600 -2.074 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.811 2.005 -2.445 1.00 0.00 C ATOM 1097 C VAL A 79 -2.216 2.350 -2.945 1.00 0.00 C ATOM 1098 O VAL A 79 -2.795 1.612 -3.740 1.00 0.00 O ATOM 1099 CB VAL A 79 0.281 2.310 -3.472 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.165 3.748 -3.985 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.671 2.046 -2.890 1.00 0.00 C ATOM 0 H VAL A 79 -0.898 -0.051 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.609 2.636 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 79 0.140 1.639 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.953 3.939 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.807 3.889 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.267 4.441 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.429 2.271 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.826 2.680 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.750 0.999 -2.597 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.723 3.473 -2.459 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.048 3.925 -2.846 1.00 0.00 C ATOM 1113 C PHE A 80 -4.120 5.453 -2.874 1.00 0.00 C ATOM 1114 O PHE A 80 -3.093 6.128 -2.823 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.026 3.400 -1.793 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.865 4.047 -0.417 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.728 3.844 0.300 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.859 4.825 0.090 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.578 4.445 1.580 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.710 5.424 1.368 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.572 5.222 2.085 1.00 0.00 C ATOM 0 H PHE A 80 -2.240 4.084 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.289 3.558 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.045 3.565 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.894 2.323 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.939 3.226 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.762 4.987 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.675 4.284 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.500 6.040 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.458 5.680 3.057 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.344 5.956 -2.954 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.564 7.391 -2.988 1.00 0.00 C ATOM 1133 C ASN A 81 -6.646 7.762 -1.974 1.00 0.00 C ATOM 1134 O ASN A 81 -7.078 6.921 -1.186 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.037 7.842 -4.372 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.607 6.848 -5.451 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.708 7.096 -6.238 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.295 5.710 -5.444 1.00 0.00 N ATOM 0 H ASN A 81 -6.194 5.394 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.620 7.883 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.123 7.940 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.628 8.827 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.082 4.981 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.036 5.566 -4.758 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.053 9.022 -2.024 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.077 9.514 -1.118 1.00 0.00 C ATOM 1147 C GLU A 82 -9.468 9.287 -1.716 1.00 0.00 C ATOM 1148 O GLU A 82 -10.453 9.845 -1.234 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.856 10.992 -0.792 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.147 11.642 -0.290 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.853 12.957 0.436 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.257 12.877 1.532 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.232 14.010 -0.121 1.00 0.00 O ATOM 0 H GLU A 82 -6.692 9.717 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.008 8.955 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.078 11.089 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.503 11.515 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.815 11.828 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.664 10.959 0.383 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.503 8.465 -2.754 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.757 8.156 -3.422 1.00 0.00 C ATOM 1162 C ASN A 83 -11.220 6.758 -3.009 1.00 0.00 C ATOM 1163 O ASN A 83 -12.406 6.443 -3.091 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.589 8.169 -4.942 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.110 8.124 -5.331 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.433 9.134 -5.420 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.647 6.897 -5.556 1.00 0.00 N ATOM 0 H ASN A 83 -8.684 8.003 -3.149 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.487 8.912 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.109 7.315 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.050 9.066 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.671 6.761 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.268 6.093 -5.464 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.259 5.957 -2.573 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.552 4.599 -2.147 1.00 0.00 C ATOM 1176 C ASN A 84 -10.105 3.620 -3.233 1.00 0.00 C ATOM 1177 O ASN A 84 -10.650 2.523 -3.349 1.00 0.00 O ATOM 1178 CB ASN A 84 -12.053 4.404 -1.923 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.765 4.074 -3.237 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.813 3.450 -3.265 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.139 4.527 -4.319 1.00 0.00 N ATOM 0 H ASN A 84 -9.276 6.222 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.021 4.417 -1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.216 3.600 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.480 5.309 -1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.534 4.359 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.264 5.043 -4.224 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.117 4.051 -4.004 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.591 3.226 -5.078 1.00 0.00 C ATOM 1190 C GLN A 85 -7.180 2.744 -4.733 1.00 0.00 C ATOM 1191 O GLN A 85 -6.342 3.529 -4.292 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.601 3.984 -6.407 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.030 4.350 -6.818 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.029 5.279 -8.034 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.547 4.959 -9.091 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.421 6.443 -7.825 1.00 0.00 N ATOM 0 H GLN A 85 -8.667 4.961 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.236 2.354 -5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.001 4.890 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.141 3.372 -7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.590 3.443 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.539 4.835 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.008 6.646 -6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.368 7.132 -8.575 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.961 1.454 -4.948 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.667 0.858 -4.666 1.00 0.00 C ATOM 1207 C LEU A 86 -4.747 1.051 -5.873 1.00 0.00 C ATOM 1208 O LEU A 86 -5.139 0.780 -7.007 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.831 -0.604 -4.245 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.299 -1.649 -5.229 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.114 -2.411 -4.632 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.415 -2.590 -5.686 1.00 0.00 C ATOM 0 H LEU A 86 -7.658 0.806 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.193 1.358 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.327 -0.745 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.891 -0.797 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.934 -1.130 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.755 -3.147 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.312 -1.711 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.430 -2.918 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.010 -3.322 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.833 -3.105 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.198 -2.014 -6.178 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.540 1.518 -5.589 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.561 1.752 -6.637 1.00 0.00 C ATOM 1226 C ALA A 87 -2.053 0.407 -7.163 1.00 0.00 C ATOM 1227 O ALA A 87 -1.847 0.244 -8.365 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.432 2.631 -6.095 1.00 0.00 C ATOM 0 H ALA A 87 -3.218 1.741 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.014 2.284 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.698 2.806 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.841 3.585 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.951 2.129 -5.255 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.868 -0.521 -6.236 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.389 -1.847 -6.591 1.00 0.00 C ATOM 1236 C GLY A 88 -0.931 -2.615 -5.350 1.00 0.00 C ATOM 1237 O GLY A 88 -1.540 -2.504 -4.287 1.00 0.00 O ATOM 0 H GLY A 88 -2.041 -0.382 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.181 -2.401 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.562 -1.762 -7.296 1.00 0.00 H new ATOM 1241 N VAL A 89 0.137 -3.378 -5.525 1.00 0.00 N ATOM 1242 CA VAL A 89 0.684 -4.164 -4.433 1.00 0.00 C ATOM 1243 C VAL A 89 2.210 -4.183 -4.536 1.00 0.00 C ATOM 1244 O VAL A 89 2.779 -5.039 -5.212 1.00 0.00 O ATOM 1245 CB VAL A 89 0.067 -5.564 -4.436 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.709 -6.450 -3.366 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.451 -5.495 -4.253 1.00 0.00 C ATOM 0 H VAL A 89 0.639 -3.469 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 89 0.430 -3.713 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 89 0.267 -6.015 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.252 -7.439 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.778 -6.539 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.555 -6.003 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.864 -6.504 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.681 -5.014 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.890 -4.918 -5.067 1.00 0.00 H new ATOM 1257 N ILE A 90 2.830 -3.230 -3.856 1.00 0.00 N ATOM 1258 CA ILE A 90 4.279 -3.126 -3.864 1.00 0.00 C ATOM 1259 C ILE A 90 4.857 -4.063 -2.801 1.00 0.00 C ATOM 1260 O ILE A 90 4.139 -4.524 -1.916 1.00 0.00 O ATOM 1261 CB ILE A 90 4.713 -1.668 -3.701 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.426 -1.166 -2.285 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.064 -0.781 -4.766 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.230 0.351 -2.271 1.00 0.00 C ATOM 0 H ILE A 90 2.355 -2.523 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 90 4.680 -3.447 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 90 5.791 -1.614 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.533 -1.655 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.251 -1.436 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.389 0.250 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.361 -1.125 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.979 -0.835 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.027 0.682 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.133 0.838 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.389 0.615 -2.912 1.00 0.00 H new ATOM 1276 N THR A 91 6.153 -4.315 -2.923 1.00 0.00 N ATOM 1277 CA THR A 91 6.837 -5.188 -1.985 1.00 0.00 C ATOM 1278 C THR A 91 8.340 -4.901 -1.988 1.00 0.00 C ATOM 1279 O THR A 91 8.890 -4.469 -2.998 1.00 0.00 O ATOM 1280 CB THR A 91 6.494 -6.635 -2.347 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.556 -7.396 -1.780 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.602 -6.903 -3.849 1.00 0.00 C ATOM 0 H THR A 91 6.747 -3.929 -3.657 1.00 0.00 H new ATOM 0 HA THR A 91 6.505 -5.007 -0.963 1.00 0.00 H new ATOM 0 HB THR A 91 5.483 -6.864 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.466 -7.407 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.349 -7.943 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.913 -6.250 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.621 -6.706 -4.181 1.00 0.00 H new ATOM 1290 N HIS A 92 8.960 -5.155 -0.845 1.00 0.00 N ATOM 1291 CA HIS A 92 10.388 -4.930 -0.703 1.00 0.00 C ATOM 1292 C HIS A 92 11.157 -6.064 -1.383 1.00 0.00 C ATOM 1293 O HIS A 92 12.375 -5.988 -1.538 1.00 0.00 O ATOM 1294 CB HIS A 92 10.768 -4.756 0.769 1.00 0.00 C ATOM 1295 CG HIS A 92 10.411 -3.404 1.340 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.311 -2.630 2.053 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.246 -2.698 1.296 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.703 -1.511 2.417 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.424 -1.554 1.947 1.00 0.00 N ATOM 0 H HIS A 92 8.499 -5.514 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 92 10.664 -4.001 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.272 -5.529 1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.841 -4.913 0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.333 -3.015 0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.143 -0.706 2.986 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.720 -0.827 2.074 1.00 0.00 H new ATOM 1308 N THR A 93 10.414 -7.089 -1.771 1.00 0.00 N ATOM 1309 CA THR A 93 11.011 -8.239 -2.432 1.00 0.00 C ATOM 1310 C THR A 93 12.213 -7.806 -3.272 1.00 0.00 C ATOM 1311 O THR A 93 12.129 -7.746 -4.498 1.00 0.00 O ATOM 1312 CB THR A 93 9.919 -8.935 -3.246 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.372 -9.894 -2.346 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.489 -9.779 -4.387 1.00 0.00 C ATOM 0 H THR A 93 9.404 -7.148 -1.641 1.00 0.00 H new ATOM 0 HA THR A 93 11.402 -8.954 -1.708 1.00 0.00 H new ATOM 0 HB THR A 93 9.237 -8.188 -3.652 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.630 -9.490 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.673 -10.251 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.057 -9.140 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.145 -10.548 -3.978 1.00 0.00 H new ATOM 1322 N GLY A 94 13.304 -7.514 -2.580 1.00 0.00 N ATOM 1323 CA GLY A 94 14.523 -7.088 -3.247 1.00 0.00 C ATOM 1324 C GLY A 94 14.323 -5.740 -3.945 1.00 0.00 C ATOM 1325 O GLY A 94 15.028 -4.776 -3.651 1.00 0.00 O ATOM 0 H GLY A 94 13.370 -7.564 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.331 -7.009 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.824 -7.839 -3.978 1.00 0.00 H new ATOM 1329 N ALA A 95 13.362 -5.718 -4.855 1.00 0.00 N ATOM 1330 CA ALA A 95 13.061 -4.505 -5.596 1.00 0.00 C ATOM 1331 C ALA A 95 14.367 -3.874 -6.082 1.00 0.00 C ATOM 1332 O ALA A 95 14.364 -2.761 -6.608 1.00 0.00 O ATOM 1333 CB ALA A 95 12.246 -3.556 -4.715 1.00 0.00 C ATOM 0 H ALA A 95 12.781 -6.521 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 95 12.457 -4.731 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.021 -2.646 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.315 -4.041 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.821 -3.303 -3.824 1.00 0.00 H new ATOM 1339 N SER A 96 15.451 -4.610 -5.890 1.00 0.00 N ATOM 1340 CA SER A 96 16.760 -4.134 -6.302 1.00 0.00 C ATOM 1341 C SER A 96 17.341 -3.207 -5.234 1.00 0.00 C ATOM 1342 O SER A 96 18.351 -2.542 -5.465 1.00 0.00 O ATOM 1343 CB SER A 96 16.686 -3.413 -7.649 1.00 0.00 C ATOM 1344 OG SER A 96 17.933 -3.441 -8.340 1.00 0.00 O ATOM 0 H SER A 96 15.450 -5.532 -5.455 1.00 0.00 H new ATOM 0 HA SER A 96 17.415 -4.997 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 96 15.919 -3.878 -8.267 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.383 -2.378 -7.490 1.00 0.00 H new ATOM 0 HG SER A 96 18.645 -3.131 -7.742 1.00 0.00 H new ATOM 1350 N GLY A 97 16.678 -3.190 -4.086 1.00 0.00 N ATOM 1351 CA GLY A 97 17.116 -2.353 -2.982 1.00 0.00 C ATOM 1352 C GLY A 97 15.993 -2.164 -1.959 1.00 0.00 C ATOM 1353 O GLY A 97 15.277 -3.110 -1.637 1.00 0.00 O ATOM 0 H GLY A 97 15.841 -3.742 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.981 -2.806 -2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.435 -1.382 -3.361 1.00 0.00 H new ATOM 1357 N ASN A 98 15.875 -0.935 -1.479 1.00 0.00 N ATOM 1358 CA ASN A 98 14.852 -0.609 -0.500 1.00 0.00 C ATOM 1359 C ASN A 98 13.620 -0.060 -1.222 1.00 0.00 C ATOM 1360 O ASN A 98 12.606 0.232 -0.590 1.00 0.00 O ATOM 1361 CB ASN A 98 15.344 0.461 0.476 1.00 0.00 C ATOM 1362 CG ASN A 98 14.184 1.038 1.289 1.00 0.00 C ATOM 1363 OD1 ASN A 98 14.164 2.204 1.650 1.00 0.00 O ATOM 1364 ND2 ASN A 98 13.221 0.160 1.555 1.00 0.00 N ATOM 0 H ASN A 98 16.471 -0.153 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 98 14.612 -1.517 0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.086 0.031 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.839 1.260 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.403 0.448 2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.301 -0.801 1.223 1.00 0.00 H new ATOM 1371 N ASN A 99 13.747 0.064 -2.534 1.00 0.00 N ATOM 1372 CA ASN A 99 12.657 0.573 -3.348 1.00 0.00 C ATOM 1373 C ASN A 99 11.460 -0.376 -3.240 1.00 0.00 C ATOM 1374 O ASN A 99 11.448 -1.271 -2.397 1.00 0.00 O ATOM 1375 CB ASN A 99 13.061 0.658 -4.820 1.00 0.00 C ATOM 1376 CG ASN A 99 13.428 -0.722 -5.370 1.00 0.00 C ATOM 1377 OD1 ASN A 99 12.618 -1.422 -5.954 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.693 -1.073 -5.151 1.00 0.00 N ATOM 0 H ASN A 99 14.590 -0.180 -3.055 1.00 0.00 H new ATOM 0 HA ASN A 99 12.403 1.569 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.241 1.079 -5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.909 1.334 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.036 -1.976 -5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.320 -0.439 -4.655 1.00 0.00 H new ATOM 1385 N PHE A 100 10.485 -0.148 -4.107 1.00 0.00 N ATOM 1386 CA PHE A 100 9.287 -0.971 -4.120 1.00 0.00 C ATOM 1387 C PHE A 100 8.990 -1.483 -5.531 1.00 0.00 C ATOM 1388 O PHE A 100 9.562 -0.997 -6.506 1.00 0.00 O ATOM 1389 CB PHE A 100 8.130 -0.084 -3.658 1.00 0.00 C ATOM 1390 CG PHE A 100 8.106 0.172 -2.150 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.753 -0.826 -1.296 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.437 1.398 -1.662 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.732 -0.589 0.104 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.414 1.636 -0.263 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.062 0.637 0.591 1.00 0.00 C ATOM 0 H PHE A 100 10.500 0.595 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 100 9.422 -1.835 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.189 0.872 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.189 -0.549 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.489 -1.799 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.717 2.191 -2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.454 -1.382 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.676 2.610 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.045 0.818 1.656 1.00 0.00 H new ATOM 1405 N VAL A 101 8.095 -2.458 -5.596 1.00 0.00 N ATOM 1406 CA VAL A 101 7.715 -3.042 -6.870 1.00 0.00 C ATOM 1407 C VAL A 101 6.418 -3.835 -6.697 1.00 0.00 C ATOM 1408 O VAL A 101 6.275 -4.596 -5.741 1.00 0.00 O ATOM 1409 CB VAL A 101 8.864 -3.888 -7.422 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.046 -3.008 -7.831 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.297 -4.951 -6.410 1.00 0.00 C ATOM 0 H VAL A 101 7.622 -2.858 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 101 7.522 -2.261 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 101 8.504 -4.401 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.849 -3.635 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.728 -2.306 -8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.405 -2.455 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.115 -5.539 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.630 -4.466 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.455 -5.607 -6.189 1.00 0.00 H new ATOM 1421 N GLU A 102 5.506 -3.630 -7.636 1.00 0.00 N ATOM 1422 CA GLU A 102 4.226 -4.316 -7.599 1.00 0.00 C ATOM 1423 C GLU A 102 4.437 -5.828 -7.505 1.00 0.00 C ATOM 1424 O GLU A 102 5.128 -6.415 -8.337 1.00 0.00 O ATOM 1425 CB GLU A 102 3.375 -3.955 -8.818 1.00 0.00 C ATOM 1426 CG GLU A 102 4.254 -3.492 -9.983 1.00 0.00 C ATOM 1427 CD GLU A 102 3.536 -3.683 -11.320 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.484 -3.030 -11.498 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.055 -4.475 -12.135 1.00 0.00 O ATOM 0 H GLU A 102 5.628 -2.998 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 102 3.686 -3.989 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.786 -4.820 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.670 -3.166 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.514 -2.442 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.188 -4.054 -9.984 1.00 0.00 H new ATOM 1436 N CYS A 103 3.830 -6.416 -6.485 1.00 0.00 N ATOM 1437 CA CYS A 103 3.942 -7.849 -6.271 1.00 0.00 C ATOM 1438 C CYS A 103 3.535 -8.560 -7.563 1.00 0.00 C ATOM 1439 O CYS A 103 3.345 -7.919 -8.596 1.00 0.00 O ATOM 1440 CB CYS A 103 3.105 -8.311 -5.077 1.00 0.00 C ATOM 1441 SG CYS A 103 3.504 -7.484 -3.494 1.00 0.00 S ATOM 0 H CYS A 103 3.258 -5.926 -5.797 1.00 0.00 H new ATOM 0 HA CYS A 103 4.973 -8.103 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.052 -8.143 -5.303 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.237 -9.386 -4.953 1.00 0.00 H new ATOM 0 HG CYS A 103 2.682 -7.891 -2.573 1.00 0.00 H new ATOM 1446 N THR A 104 3.412 -9.876 -7.463 1.00 0.00 N ATOM 1447 CA THR A 104 3.032 -10.681 -8.610 1.00 0.00 C ATOM 1448 C THR A 104 1.603 -11.206 -8.444 1.00 0.00 C ATOM 1449 O THR A 104 0.640 -10.471 -8.657 1.00 0.00 O ATOM 1450 CB THR A 104 4.071 -11.792 -8.776 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.858 -12.636 -7.647 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.503 -11.284 -8.596 1.00 0.00 C ATOM 0 H THR A 104 3.569 -10.404 -6.605 1.00 0.00 H new ATOM 0 HA THR A 104 3.023 -10.086 -9.523 1.00 0.00 H new ATOM 0 HB THR A 104 3.967 -12.244 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.958 -12.113 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.201 -12.111 -8.724 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.712 -10.515 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.617 -10.864 -7.597 1.00 0.00 H new TER 1460 THR A 104