USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=46 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 92 HIS :FLIP no HE2:sc= -9.86! C(o=-12!,f=-11!) USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= -1.63! C(o=-13!,f=-11!) USER MOD Set 2.1: A 81 ASN : amide:sc= -17.2! C(o=-27!,f=-29!) USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -7.94! C(o=-37!,f=-27!) USER MOD Set 2.3: A 85 GLN : amide:sc= -1.51! K(o=-27!,f=-28) USER MOD Set 3.1: A 27 HIS : no HE2:sc= -12.9! C(o=-16!,f=-25!) USER MOD Set 3.2: A 57 TYR OH : rot -130:sc= -3.19! USER MOD Set 4.1: A 36 ASN : amide:sc= -2.17! C(o=-2.2!,f=-4.5!) USER MOD Set 4.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 6 CYS SG : rot -36:sc= -23.6! USER MOD Set 5.2: A 9 ASN :FLIP amide:sc= -22.4! C(o=-93!,f=-90!) USER MOD Set 5.3: A 11 TYR OH : rot 43:sc= -8.29! USER MOD Set 5.4: A 103 CYS SG : rot 177:sc= -35.8! USER MOD Set 6.1: A 2 CYS SG : rot 2:sc= 0.623 USER MOD Set 6.2: A 10 CYS SG : rot -102:sc= -7.22! USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 THR OG1 : rot -77:sc= 0.688 USER MOD Single : A 8 SER OG : rot 61:sc= 1.13 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 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= -18.1! C(o=-18!,f=-25!) USER MOD Single : A 24 TYR OH : rot -87:sc= -3.3! USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= 0.692 (180deg=0.243) 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 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.25! C(o=-6.2!,f=-9.8!) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= -0.336 (180deg=-0.786) USER MOD Single : A 42 TYR OH : rot 52:sc= -4.75! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0408 F(o=-0.94,f=-0.041) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.229 F(o=-2.6!,f=-0.23) 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 -32:sc= 1.23 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 131:sc= 1.05 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.000792 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.47! C(o=-15!,f=-7.5!) USER MOD Single : A 91 THR OG1 : rot 165:sc= -0.0886 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -59:sc= 1.07 USER MOD Single : A 99 ASN :FLIP amide:sc= -19.9! C(o=-24!,f=-20!) USER MOD Single : A 104 THR OG1 : rot -77:sc= 0.155 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.627 -14.001 -5.155 1.00 0.00 N ATOM 12 CA CYS A 2 -5.227 -13.625 -5.060 1.00 0.00 C ATOM 13 C CYS A 2 -4.745 -13.210 -6.452 1.00 0.00 C ATOM 14 O CYS A 2 -4.808 -13.998 -7.395 1.00 0.00 O ATOM 15 CB CYS A 2 -4.376 -14.754 -4.475 1.00 0.00 C ATOM 16 SG CYS A 2 -5.273 -16.326 -4.197 1.00 0.00 S ATOM 0 HA CYS A 2 -5.120 -12.785 -4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.538 -14.944 -5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.955 -14.419 -3.527 1.00 0.00 H new ATOM 0 HG CYS A 2 -6.504 -16.200 -4.597 1.00 0.00 H new ATOM 21 N ASP A 3 -4.275 -11.974 -6.536 1.00 0.00 N ATOM 22 CA ASP A 3 -3.784 -11.445 -7.797 1.00 0.00 C ATOM 23 C ASP A 3 -2.498 -10.654 -7.546 1.00 0.00 C ATOM 24 O ASP A 3 -1.859 -10.187 -8.487 1.00 0.00 O ATOM 25 CB ASP A 3 -4.805 -10.499 -8.432 1.00 0.00 C ATOM 26 CG ASP A 3 -5.725 -11.144 -9.471 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.171 -12.281 -9.206 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.961 -10.486 -10.507 1.00 0.00 O ATOM 0 H ASP A 3 -4.224 -11.324 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.604 -12.285 -8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.420 -10.069 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.270 -9.675 -8.904 1.00 0.00 H new ATOM 33 N TYR A 4 -2.158 -10.528 -6.272 1.00 0.00 N ATOM 34 CA TYR A 4 -0.960 -9.802 -5.886 1.00 0.00 C ATOM 35 C TYR A 4 -0.165 -10.576 -4.833 1.00 0.00 C ATOM 36 O TYR A 4 -0.415 -10.441 -3.636 1.00 0.00 O ATOM 37 CB TYR A 4 -1.444 -8.485 -5.274 1.00 0.00 C ATOM 38 CG TYR A 4 -2.211 -7.591 -6.251 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.530 -6.887 -7.223 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.584 -7.488 -6.159 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.252 -6.046 -8.142 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.307 -6.647 -7.078 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.605 -5.966 -8.024 1.00 0.00 C ATOM 44 OH TYR A 4 -4.286 -5.172 -8.892 1.00 0.00 O ATOM 0 H TYR A 4 -2.691 -10.916 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.310 -9.650 -6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.084 -8.706 -4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.583 -7.935 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.455 -6.967 -7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.117 -8.038 -5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.731 -5.491 -8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.382 -6.559 -7.018 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.241 -5.390 -8.854 1.00 0.00 H new ATOM 54 N THR A 5 0.777 -11.371 -5.317 1.00 0.00 N ATOM 55 CA THR A 5 1.612 -12.168 -4.433 1.00 0.00 C ATOM 56 C THR A 5 2.960 -11.481 -4.209 1.00 0.00 C ATOM 57 O THR A 5 3.821 -11.495 -5.088 1.00 0.00 O ATOM 58 CB THR A 5 1.736 -13.569 -5.036 1.00 0.00 C ATOM 59 OG1 THR A 5 0.462 -14.161 -4.806 1.00 0.00 O ATOM 60 CG2 THR A 5 2.707 -14.457 -4.256 1.00 0.00 C ATOM 0 H THR A 5 0.981 -11.481 -6.310 1.00 0.00 H new ATOM 0 HA THR A 5 1.163 -12.263 -3.444 1.00 0.00 H new ATOM 0 HB THR A 5 2.068 -13.490 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.392 -14.433 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.758 -15.440 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.697 -14.002 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.358 -14.563 -3.229 1.00 0.00 H new ATOM 68 N CYS A 6 3.101 -10.896 -3.029 1.00 0.00 N ATOM 69 CA CYS A 6 4.330 -10.204 -2.678 1.00 0.00 C ATOM 70 C CYS A 6 5.351 -11.244 -2.214 1.00 0.00 C ATOM 71 O CYS A 6 5.784 -11.225 -1.063 1.00 0.00 O ATOM 72 CB CYS A 6 4.091 -9.127 -1.618 1.00 0.00 C ATOM 73 SG CYS A 6 3.403 -7.558 -2.260 1.00 0.00 S ATOM 0 H CYS A 6 2.384 -10.887 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 6 4.717 -9.680 -3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.411 -9.524 -0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.035 -8.915 -1.116 1.00 0.00 H new ATOM 0 HG CYS A 6 3.912 -7.307 -3.430 1.00 0.00 H new ATOM 78 N GLY A 7 5.706 -12.129 -3.134 1.00 0.00 N ATOM 79 CA GLY A 7 6.669 -13.175 -2.834 1.00 0.00 C ATOM 80 C GLY A 7 6.053 -14.243 -1.926 1.00 0.00 C ATOM 81 O GLY A 7 6.076 -15.428 -2.252 1.00 0.00 O ATOM 0 H GLY A 7 5.344 -12.143 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.013 -13.635 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.544 -12.741 -2.350 1.00 0.00 H new ATOM 85 N SER A 8 5.518 -13.782 -0.806 1.00 0.00 N ATOM 86 CA SER A 8 4.896 -14.682 0.151 1.00 0.00 C ATOM 87 C SER A 8 3.528 -14.139 0.569 1.00 0.00 C ATOM 88 O SER A 8 3.240 -14.024 1.760 1.00 0.00 O ATOM 89 CB SER A 8 5.787 -14.879 1.380 1.00 0.00 C ATOM 90 OG SER A 8 5.710 -13.775 2.277 1.00 0.00 O ATOM 0 H SER A 8 5.502 -12.798 -0.539 1.00 0.00 H new ATOM 0 HA SER A 8 4.763 -15.652 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.491 -15.790 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.820 -15.015 1.061 1.00 0.00 H new ATOM 0 HG SER A 8 4.788 -13.674 2.593 1.00 0.00 H new ATOM 96 N ASN A 9 2.724 -13.819 -0.433 1.00 0.00 N ATOM 97 CA ASN A 9 1.392 -13.291 -0.184 1.00 0.00 C ATOM 98 C ASN A 9 0.414 -13.888 -1.197 1.00 0.00 C ATOM 99 O ASN A 9 0.787 -14.749 -1.993 1.00 0.00 O ATOM 100 CB ASN A 9 1.366 -11.769 -0.341 1.00 0.00 C ATOM 101 CG ASN A 9 2.481 -11.115 0.475 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.707 -11.472 0.102 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 2.246 -10.336 1.384 1.00 0.00 N flip ATOM 0 H ASN A 9 2.968 -13.915 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 9 1.109 -13.554 0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.478 -11.506 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.399 -11.383 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.281 -10.104 1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.014 -9.917 1.908 1.00 0.00 H new ATOM 110 N CYS A 10 -0.819 -13.407 -1.135 1.00 0.00 N ATOM 111 CA CYS A 10 -1.855 -13.883 -2.038 1.00 0.00 C ATOM 112 C CYS A 10 -3.131 -13.086 -1.766 1.00 0.00 C ATOM 113 O CYS A 10 -4.163 -13.659 -1.418 1.00 0.00 O ATOM 114 CB CYS A 10 -2.080 -15.390 -1.895 1.00 0.00 C ATOM 115 SG CYS A 10 -2.293 -16.286 -3.476 1.00 0.00 S ATOM 0 H CYS A 10 -1.125 -12.693 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.543 -13.725 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.233 -15.821 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.963 -15.555 -1.278 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.555 -16.535 -3.667 1.00 0.00 H new ATOM 120 N TYR A 11 -3.022 -11.776 -1.936 1.00 0.00 N ATOM 121 CA TYR A 11 -4.155 -10.895 -1.713 1.00 0.00 C ATOM 122 C TYR A 11 -4.436 -10.041 -2.951 1.00 0.00 C ATOM 123 O TYR A 11 -3.764 -9.038 -3.183 1.00 0.00 O ATOM 124 CB TYR A 11 -3.755 -9.978 -0.555 1.00 0.00 C ATOM 125 CG TYR A 11 -2.258 -9.670 -0.494 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.560 -9.402 -1.654 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.604 -9.661 0.722 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.151 -9.112 -1.597 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.195 -9.371 0.779 1.00 0.00 C ATOM 130 CZ TYR A 11 0.462 -9.111 -0.382 1.00 0.00 C ATOM 131 OH TYR A 11 1.793 -8.837 -0.328 1.00 0.00 O ATOM 0 H TYR A 11 -2.166 -11.304 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.054 -11.472 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.305 -9.041 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.059 -10.442 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.071 -9.410 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.149 -9.871 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.406 -8.900 -2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.328 -9.360 1.724 1.00 0.00 H new ATOM 0 HH TYR A 11 1.997 -8.085 -0.923 1.00 0.00 H new ATOM 141 N SER A 12 -5.432 -10.470 -3.713 1.00 0.00 N ATOM 142 CA SER A 12 -5.811 -9.757 -4.920 1.00 0.00 C ATOM 143 C SER A 12 -6.340 -8.366 -4.563 1.00 0.00 C ATOM 144 O SER A 12 -6.382 -7.997 -3.391 1.00 0.00 O ATOM 145 CB SER A 12 -6.862 -10.537 -5.713 1.00 0.00 C ATOM 146 OG SER A 12 -8.022 -10.814 -4.934 1.00 0.00 O ATOM 0 H SER A 12 -5.988 -11.303 -3.517 1.00 0.00 H new ATOM 0 HA SER A 12 -4.926 -9.652 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.147 -9.966 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.429 -11.474 -6.065 1.00 0.00 H new ATOM 0 HG SER A 12 -8.669 -11.312 -5.476 1.00 0.00 H new ATOM 152 N SER A 13 -6.730 -7.633 -5.595 1.00 0.00 N ATOM 153 CA SER A 13 -7.254 -6.292 -5.405 1.00 0.00 C ATOM 154 C SER A 13 -8.385 -6.313 -4.374 1.00 0.00 C ATOM 155 O SER A 13 -8.758 -5.273 -3.836 1.00 0.00 O ATOM 156 CB SER A 13 -7.752 -5.702 -6.726 1.00 0.00 C ATOM 157 OG SER A 13 -8.569 -6.622 -7.448 1.00 0.00 O ATOM 0 H SER A 13 -6.693 -7.943 -6.566 1.00 0.00 H new ATOM 0 HA SER A 13 -6.446 -5.659 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.319 -4.793 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.898 -5.416 -7.340 1.00 0.00 H new ATOM 0 HG SER A 13 -8.868 -6.207 -8.284 1.00 0.00 H new ATOM 163 N SER A 14 -8.900 -7.510 -4.133 1.00 0.00 N ATOM 164 CA SER A 14 -9.980 -7.681 -3.175 1.00 0.00 C ATOM 165 C SER A 14 -9.417 -7.743 -1.755 1.00 0.00 C ATOM 166 O SER A 14 -10.077 -7.331 -0.803 1.00 0.00 O ATOM 167 CB SER A 14 -10.791 -8.942 -3.480 1.00 0.00 C ATOM 168 OG SER A 14 -11.898 -9.091 -2.596 1.00 0.00 O ATOM 0 H SER A 14 -8.590 -8.371 -4.584 1.00 0.00 H new ATOM 0 HA SER A 14 -10.647 -6.823 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.151 -8.902 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.145 -9.816 -3.402 1.00 0.00 H new ATOM 0 HG SER A 14 -12.391 -9.906 -2.824 1.00 0.00 H new ATOM 174 N ASP A 15 -8.200 -8.260 -1.657 1.00 0.00 N ATOM 175 CA ASP A 15 -7.540 -8.382 -0.368 1.00 0.00 C ATOM 176 C ASP A 15 -6.864 -7.055 -0.020 1.00 0.00 C ATOM 177 O ASP A 15 -6.902 -6.617 1.129 1.00 0.00 O ATOM 178 CB ASP A 15 -6.463 -9.467 -0.402 1.00 0.00 C ATOM 179 CG ASP A 15 -6.938 -10.863 0.009 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.818 -11.394 -0.701 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.408 -11.366 1.024 1.00 0.00 O ATOM 0 H ASP A 15 -7.654 -8.599 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.294 -8.646 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.055 -9.521 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.647 -9.169 0.256 1.00 0.00 H new ATOM 186 N VAL A 16 -6.260 -6.451 -1.033 1.00 0.00 N ATOM 187 CA VAL A 16 -5.576 -5.183 -0.848 1.00 0.00 C ATOM 188 C VAL A 16 -6.532 -4.182 -0.194 1.00 0.00 C ATOM 189 O VAL A 16 -6.199 -3.572 0.821 1.00 0.00 O ATOM 190 CB VAL A 16 -5.019 -4.688 -2.184 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.471 -3.265 -2.058 1.00 0.00 C ATOM 192 CG2 VAL A 16 -3.947 -5.642 -2.717 1.00 0.00 C ATOM 0 H VAL A 16 -6.230 -6.817 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.724 -5.305 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.839 -4.668 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.081 -2.938 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.270 -2.594 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.670 -3.248 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.567 -5.268 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.129 -5.707 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.381 -6.631 -2.864 1.00 0.00 H new ATOM 202 N SER A 17 -7.702 -4.047 -0.801 1.00 0.00 N ATOM 203 CA SER A 17 -8.709 -3.132 -0.290 1.00 0.00 C ATOM 204 C SER A 17 -8.687 -3.131 1.239 1.00 0.00 C ATOM 205 O SER A 17 -8.565 -2.077 1.861 1.00 0.00 O ATOM 206 CB SER A 17 -10.102 -3.505 -0.801 1.00 0.00 C ATOM 207 OG SER A 17 -11.048 -2.462 -0.584 1.00 0.00 O ATOM 0 H SER A 17 -7.975 -4.556 -1.642 1.00 0.00 H new ATOM 0 HA SER A 17 -8.476 -2.130 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.049 -3.730 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.441 -4.412 -0.300 1.00 0.00 H new ATOM 0 HG SER A 17 -11.924 -2.739 -0.926 1.00 0.00 H new ATOM 213 N THR A 18 -8.807 -4.324 1.802 1.00 0.00 N ATOM 214 CA THR A 18 -8.803 -4.474 3.247 1.00 0.00 C ATOM 215 C THR A 18 -7.651 -3.676 3.862 1.00 0.00 C ATOM 216 O THR A 18 -7.864 -2.872 4.769 1.00 0.00 O ATOM 217 CB THR A 18 -8.744 -5.969 3.568 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.112 -6.359 3.653 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.189 -6.248 4.966 1.00 0.00 C ATOM 0 H THR A 18 -8.908 -5.196 1.283 1.00 0.00 H new ATOM 0 HA THR A 18 -9.713 -4.068 3.689 1.00 0.00 H new ATOM 0 HB THR A 18 -8.126 -6.475 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.167 -7.316 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.169 -7.324 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.177 -5.849 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.824 -5.770 5.712 1.00 0.00 H new ATOM 227 N ALA A 19 -6.458 -3.925 3.345 1.00 0.00 N ATOM 228 CA ALA A 19 -5.273 -3.240 3.833 1.00 0.00 C ATOM 229 C ALA A 19 -5.449 -1.732 3.646 1.00 0.00 C ATOM 230 O ALA A 19 -5.104 -0.949 4.530 1.00 0.00 O ATOM 231 CB ALA A 19 -4.038 -3.777 3.106 1.00 0.00 C ATOM 0 H ALA A 19 -6.286 -4.592 2.593 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.132 -3.427 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.149 -3.264 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.942 -4.847 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.142 -3.604 2.035 1.00 0.00 H new ATOM 237 N GLN A 20 -5.985 -1.368 2.490 1.00 0.00 N ATOM 238 CA GLN A 20 -6.211 0.032 2.176 1.00 0.00 C ATOM 239 C GLN A 20 -7.163 0.657 3.198 1.00 0.00 C ATOM 240 O GLN A 20 -6.820 1.639 3.853 1.00 0.00 O ATOM 241 CB GLN A 20 -6.748 0.195 0.754 1.00 0.00 C ATOM 242 CG GLN A 20 -6.004 -0.720 -0.221 1.00 0.00 C ATOM 243 CD GLN A 20 -6.724 -0.785 -1.570 1.00 0.00 C ATOM 244 OE1 GLN A 20 -6.975 -1.845 -2.119 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.042 0.406 -2.071 1.00 0.00 N ATOM 0 H GLN A 20 -6.270 -2.020 1.759 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.257 0.556 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.813 -0.036 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.641 1.233 0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.987 -0.354 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.926 -1.721 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.802 1.255 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.526 0.470 -2.967 1.00 0.00 H new ATOM 254 N ALA A 21 -8.344 0.062 3.301 1.00 0.00 N ATOM 255 CA ALA A 21 -9.348 0.549 4.230 1.00 0.00 C ATOM 256 C ALA A 21 -8.659 1.076 5.490 1.00 0.00 C ATOM 257 O ALA A 21 -9.104 2.060 6.080 1.00 0.00 O ATOM 258 CB ALA A 21 -10.345 -0.571 4.536 1.00 0.00 C ATOM 0 H ALA A 21 -8.627 -0.753 2.756 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.908 1.375 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.099 -0.206 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.829 -0.890 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.818 -1.416 4.980 1.00 0.00 H new ATOM 264 N ALA A 22 -7.585 0.397 5.866 1.00 0.00 N ATOM 265 CA ALA A 22 -6.829 0.786 7.045 1.00 0.00 C ATOM 266 C ALA A 22 -6.098 2.100 6.768 1.00 0.00 C ATOM 267 O ALA A 22 -6.271 3.077 7.495 1.00 0.00 O ATOM 268 CB ALA A 22 -5.872 -0.344 7.433 1.00 0.00 C ATOM 0 H ALA A 22 -7.220 -0.420 5.375 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.496 0.954 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.305 -0.053 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.444 -1.247 7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.185 -0.538 6.609 1.00 0.00 H new ATOM 274 N GLY A 23 -5.296 2.082 5.713 1.00 0.00 N ATOM 275 CA GLY A 23 -4.537 3.261 5.330 1.00 0.00 C ATOM 276 C GLY A 23 -5.461 4.461 5.112 1.00 0.00 C ATOM 277 O GLY A 23 -5.152 5.573 5.538 1.00 0.00 O ATOM 0 H GLY A 23 -5.155 1.270 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.807 3.496 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.978 3.057 4.417 1.00 0.00 H new ATOM 281 N TYR A 24 -6.577 4.195 4.449 1.00 0.00 N ATOM 282 CA TYR A 24 -7.549 5.239 4.169 1.00 0.00 C ATOM 283 C TYR A 24 -8.164 5.775 5.462 1.00 0.00 C ATOM 284 O TYR A 24 -8.003 6.949 5.792 1.00 0.00 O ATOM 285 CB TYR A 24 -8.645 4.580 3.330 1.00 0.00 C ATOM 286 CG TYR A 24 -9.351 5.537 2.367 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.761 5.864 1.163 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.578 6.073 2.703 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.426 6.765 0.256 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.242 6.974 1.796 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.633 7.275 0.618 1.00 0.00 C ATOM 292 OH TYR A 24 -11.260 8.126 -0.238 1.00 0.00 O ATOM 0 H TYR A 24 -6.830 3.272 4.097 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.077 6.076 3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.208 3.762 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.386 4.141 3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.801 5.445 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.040 5.817 3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.976 7.029 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.202 7.401 2.046 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.954 9.042 -0.071 1.00 0.00 H new ATOM 302 N LYS A 25 -8.860 4.889 6.161 1.00 0.00 N ATOM 303 CA LYS A 25 -9.501 5.259 7.410 1.00 0.00 C ATOM 304 C LYS A 25 -8.574 6.183 8.202 1.00 0.00 C ATOM 305 O LYS A 25 -8.928 7.325 8.492 1.00 0.00 O ATOM 306 CB LYS A 25 -9.929 4.010 8.184 1.00 0.00 C ATOM 307 CG LYS A 25 -10.666 4.386 9.471 1.00 0.00 C ATOM 308 CD LYS A 25 -12.039 4.987 9.161 1.00 0.00 C ATOM 309 CE LYS A 25 -12.872 5.137 10.436 1.00 0.00 C ATOM 310 NZ LYS A 25 -12.232 6.097 11.362 1.00 0.00 N ATOM 0 H LYS A 25 -8.993 3.916 5.885 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.417 5.816 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.575 3.394 7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.052 3.410 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.785 3.502 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.072 5.102 10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.915 5.960 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.566 4.351 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.876 5.480 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.979 4.168 10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.963 6.572 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.580 5.589 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.702 6.806 10.816 1.00 0.00 H new ATOM 324 N LEU A 26 -7.402 5.656 8.528 1.00 0.00 N ATOM 325 CA LEU A 26 -6.421 6.419 9.280 1.00 0.00 C ATOM 326 C LEU A 26 -6.078 7.697 8.511 1.00 0.00 C ATOM 327 O LEU A 26 -5.829 8.740 9.114 1.00 0.00 O ATOM 328 CB LEU A 26 -5.203 5.552 9.605 1.00 0.00 C ATOM 329 CG LEU A 26 -4.043 6.261 10.305 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.083 6.020 11.815 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.701 5.852 9.695 1.00 0.00 C ATOM 0 H LEU A 26 -7.110 4.709 8.285 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.832 6.725 10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.529 4.724 10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.831 5.120 8.676 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.155 7.334 10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.247 6.535 12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.020 6.402 12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.010 4.951 12.015 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.893 6.371 10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.566 4.775 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.686 6.118 8.638 1.00 0.00 H new ATOM 343 N HIS A 27 -6.077 7.575 7.193 1.00 0.00 N ATOM 344 CA HIS A 27 -5.770 8.707 6.335 1.00 0.00 C ATOM 345 C HIS A 27 -6.871 9.762 6.464 1.00 0.00 C ATOM 346 O HIS A 27 -6.587 10.933 6.712 1.00 0.00 O ATOM 347 CB HIS A 27 -5.551 8.252 4.891 1.00 0.00 C ATOM 348 CG HIS A 27 -5.387 9.386 3.908 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.388 10.338 4.020 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.105 9.712 2.794 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.509 11.192 3.014 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.574 10.803 2.256 1.00 0.00 N ATOM 0 H HIS A 27 -6.284 6.708 6.697 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.835 9.167 6.655 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.665 7.619 4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.396 7.637 4.583 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.679 10.376 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.961 9.173 2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.875 12.046 2.827 1.00 0.00 H new ATOM 361 N GLU A 28 -8.103 9.309 6.288 1.00 0.00 N ATOM 362 CA GLU A 28 -9.248 10.199 6.381 1.00 0.00 C ATOM 363 C GLU A 28 -9.273 10.891 7.746 1.00 0.00 C ATOM 364 O GLU A 28 -9.806 11.991 7.878 1.00 0.00 O ATOM 365 CB GLU A 28 -10.553 9.442 6.126 1.00 0.00 C ATOM 366 CG GLU A 28 -10.281 7.969 5.812 1.00 0.00 C ATOM 367 CD GLU A 28 -11.587 7.207 5.583 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.627 7.889 5.451 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.517 5.960 5.547 1.00 0.00 O ATOM 0 H GLU A 28 -8.334 8.337 6.081 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.153 10.963 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.198 9.518 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.088 9.902 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.651 7.893 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.730 7.514 6.635 1.00 0.00 H new ATOM 376 N ASP A 29 -8.689 10.216 8.726 1.00 0.00 N ATOM 377 CA ASP A 29 -8.638 10.753 10.076 1.00 0.00 C ATOM 378 C ASP A 29 -7.374 11.602 10.234 1.00 0.00 C ATOM 379 O ASP A 29 -7.270 12.399 11.166 1.00 0.00 O ATOM 380 CB ASP A 29 -8.586 9.630 11.113 1.00 0.00 C ATOM 381 CG ASP A 29 -9.949 9.078 11.537 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.562 8.378 10.703 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.346 9.369 12.685 1.00 0.00 O ATOM 0 H ASP A 29 -8.248 9.303 8.612 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.535 11.351 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.989 8.812 10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.068 9.997 11.999 1.00 0.00 H new ATOM 388 N GLY A 30 -6.446 11.402 9.310 1.00 0.00 N ATOM 389 CA GLY A 30 -5.194 12.139 9.336 1.00 0.00 C ATOM 390 C GLY A 30 -4.260 11.596 10.421 1.00 0.00 C ATOM 391 O GLY A 30 -3.373 12.305 10.893 1.00 0.00 O ATOM 0 H GLY A 30 -6.536 10.740 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.707 12.069 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.393 13.195 9.518 1.00 0.00 H new ATOM 395 N GLU A 31 -4.492 10.342 10.782 1.00 0.00 N ATOM 396 CA GLU A 31 -3.682 9.697 11.801 1.00 0.00 C ATOM 397 C GLU A 31 -2.593 8.841 11.151 1.00 0.00 C ATOM 398 O GLU A 31 -2.545 8.716 9.928 1.00 0.00 O ATOM 399 CB GLU A 31 -4.551 8.856 12.741 1.00 0.00 C ATOM 400 CG GLU A 31 -5.368 9.749 13.676 1.00 0.00 C ATOM 401 CD GLU A 31 -4.478 10.377 14.750 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.681 11.266 14.378 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.613 9.955 15.918 1.00 0.00 O ATOM 0 H GLU A 31 -5.228 9.757 10.387 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.201 10.471 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.221 8.226 12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.919 8.190 13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.857 10.534 13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.156 9.162 14.149 1.00 0.00 H new ATOM 410 N THR A 32 -1.745 8.276 11.997 1.00 0.00 N ATOM 411 CA THR A 32 -0.660 7.436 11.520 1.00 0.00 C ATOM 412 C THR A 32 -0.679 6.083 12.232 1.00 0.00 C ATOM 413 O THR A 32 -1.509 5.850 13.109 1.00 0.00 O ATOM 414 CB THR A 32 0.650 8.205 11.708 1.00 0.00 C ATOM 415 OG1 THR A 32 0.707 8.455 13.111 1.00 0.00 O ATOM 416 CG2 THR A 32 0.606 9.600 11.082 1.00 0.00 C ATOM 0 H THR A 32 -1.787 8.383 13.010 1.00 0.00 H new ATOM 0 HA THR A 32 -0.772 7.210 10.460 1.00 0.00 H new ATOM 0 HB THR A 32 1.470 7.637 11.269 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.527 8.949 13.322 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.560 10.102 11.244 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.419 9.513 10.012 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.193 10.181 11.543 1.00 0.00 H new ATOM 424 N VAL A 33 0.247 5.224 11.831 1.00 0.00 N ATOM 425 CA VAL A 33 0.348 3.900 12.420 1.00 0.00 C ATOM 426 C VAL A 33 1.821 3.564 12.661 1.00 0.00 C ATOM 427 O VAL A 33 2.695 4.036 11.937 1.00 0.00 O ATOM 428 CB VAL A 33 -0.362 2.877 11.531 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.703 3.419 11.033 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.529 2.457 10.361 1.00 0.00 C ATOM 0 H VAL A 33 0.935 5.420 11.104 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.153 3.873 13.388 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.563 1.991 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.186 2.672 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.344 3.644 11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.536 4.328 10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.001 1.729 9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.776 3.332 9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.446 2.010 10.744 1.00 0.00 H new ATOM 440 N GLY A 34 2.050 2.750 13.681 1.00 0.00 N ATOM 441 CA GLY A 34 3.401 2.346 14.027 1.00 0.00 C ATOM 442 C GLY A 34 4.254 3.555 14.415 1.00 0.00 C ATOM 443 O GLY A 34 3.724 4.588 14.820 1.00 0.00 O ATOM 0 H GLY A 34 1.322 2.359 14.279 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.371 1.637 14.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.858 1.831 13.182 1.00 0.00 H new ATOM 447 N SER A 35 5.561 3.387 14.276 1.00 0.00 N ATOM 448 CA SER A 35 6.491 4.452 14.607 1.00 0.00 C ATOM 449 C SER A 35 6.885 5.214 13.340 1.00 0.00 C ATOM 450 O SER A 35 8.006 5.710 13.232 1.00 0.00 O ATOM 451 CB SER A 35 7.738 3.899 15.302 1.00 0.00 C ATOM 452 OG SER A 35 7.406 3.002 16.359 1.00 0.00 O ATOM 0 H SER A 35 5.997 2.529 13.939 1.00 0.00 H new ATOM 0 HA SER A 35 5.996 5.136 15.297 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.362 3.384 14.572 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.328 4.725 15.699 1.00 0.00 H new ATOM 0 HG SER A 35 8.228 2.670 16.776 1.00 0.00 H new ATOM 458 N ASN A 36 5.942 5.285 12.413 1.00 0.00 N ATOM 459 CA ASN A 36 6.175 5.980 11.158 1.00 0.00 C ATOM 460 C ASN A 36 5.057 6.998 10.926 1.00 0.00 C ATOM 461 O ASN A 36 4.298 7.309 11.843 1.00 0.00 O ATOM 462 CB ASN A 36 6.178 5.003 9.981 1.00 0.00 C ATOM 463 CG ASN A 36 7.606 4.693 9.528 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.581 5.139 10.111 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.675 3.905 8.459 1.00 0.00 N ATOM 0 H ASN A 36 5.014 4.872 12.506 1.00 0.00 H new ATOM 0 HA ASN A 36 7.145 6.473 11.221 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.676 4.080 10.269 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.613 5.427 9.151 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.584 3.639 8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.819 3.566 8.019 1.00 0.00 H new ATOM 472 N SER A 37 4.990 7.486 9.697 1.00 0.00 N ATOM 473 CA SER A 37 3.976 8.461 9.334 1.00 0.00 C ATOM 474 C SER A 37 3.102 7.912 8.204 1.00 0.00 C ATOM 475 O SER A 37 2.778 8.630 7.260 1.00 0.00 O ATOM 476 CB SER A 37 4.613 9.787 8.913 1.00 0.00 C ATOM 477 OG SER A 37 5.451 9.638 7.770 1.00 0.00 O ATOM 0 H SER A 37 5.621 7.225 8.940 1.00 0.00 H new ATOM 0 HA SER A 37 3.354 8.648 10.209 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.829 10.513 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.198 10.187 9.741 1.00 0.00 H new ATOM 0 HG SER A 37 5.837 10.507 7.532 1.00 0.00 H new ATOM 483 N TYR A 38 2.745 6.642 8.338 1.00 0.00 N ATOM 484 CA TYR A 38 1.916 5.988 7.341 1.00 0.00 C ATOM 485 C TYR A 38 0.439 6.037 7.740 1.00 0.00 C ATOM 486 O TYR A 38 0.113 6.061 8.925 1.00 0.00 O ATOM 487 CB TYR A 38 2.374 4.529 7.303 1.00 0.00 C ATOM 488 CG TYR A 38 3.789 4.335 6.758 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.771 5.263 7.041 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.086 3.232 5.983 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.104 5.080 6.529 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.419 3.050 5.469 1.00 0.00 C ATOM 493 CZ TYR A 38 6.362 3.982 5.767 1.00 0.00 C ATOM 494 OH TYR A 38 7.622 3.810 5.283 1.00 0.00 O ATOM 0 H TYR A 38 3.015 6.049 9.123 1.00 0.00 H new ATOM 0 HA TYR A 38 2.015 6.482 6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.324 4.117 8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.678 3.956 6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.539 6.127 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.318 2.505 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.882 5.798 6.745 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.664 2.192 4.860 1.00 0.00 H new ATOM 0 HH TYR A 38 7.661 2.984 4.758 1.00 0.00 H new ATOM 504 N PRO A 39 -0.437 6.050 6.699 1.00 0.00 N ATOM 505 CA PRO A 39 0.034 6.020 5.325 1.00 0.00 C ATOM 506 C PRO A 39 0.601 7.378 4.909 1.00 0.00 C ATOM 507 O PRO A 39 0.802 8.254 5.749 1.00 0.00 O ATOM 508 CB PRO A 39 -1.177 5.606 4.504 1.00 0.00 C ATOM 509 CG PRO A 39 -2.387 5.871 5.384 1.00 0.00 C ATOM 510 CD PRO A 39 -1.893 6.095 6.804 1.00 0.00 C ATOM 0 HA PRO A 39 0.857 5.321 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.235 6.178 3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.119 4.554 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.933 6.744 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.076 5.027 5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.233 7.054 7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.266 5.325 7.479 1.00 0.00 H new ATOM 518 N HIS A 40 0.844 7.511 3.613 1.00 0.00 N ATOM 519 CA HIS A 40 1.386 8.749 3.076 1.00 0.00 C ATOM 520 C HIS A 40 1.514 8.634 1.556 1.00 0.00 C ATOM 521 O HIS A 40 1.374 7.547 0.997 1.00 0.00 O ATOM 522 CB HIS A 40 2.708 9.104 3.758 1.00 0.00 C ATOM 523 CG HIS A 40 3.845 8.169 3.419 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.443 8.139 2.172 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.486 7.234 4.176 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.400 7.222 2.189 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.424 6.663 3.433 1.00 0.00 N ATOM 0 H HIS A 40 0.676 6.783 2.919 1.00 0.00 H new ATOM 0 HA HIS A 40 0.704 9.572 3.288 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.989 10.119 3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.560 9.103 4.838 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.190 8.723 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.267 6.998 5.207 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.047 6.963 1.364 1.00 0.00 H new ATOM 536 N LYS A 41 1.778 9.772 0.930 1.00 0.00 N ATOM 537 CA LYS A 41 1.927 9.813 -0.515 1.00 0.00 C ATOM 538 C LYS A 41 2.867 8.691 -0.958 1.00 0.00 C ATOM 539 O LYS A 41 3.516 8.055 -0.129 1.00 0.00 O ATOM 540 CB LYS A 41 2.374 11.206 -0.967 1.00 0.00 C ATOM 541 CG LYS A 41 1.369 11.812 -1.948 1.00 0.00 C ATOM 542 CD LYS A 41 0.085 12.230 -1.229 1.00 0.00 C ATOM 543 CE LYS A 41 0.397 13.106 -0.014 1.00 0.00 C ATOM 544 NZ LYS A 41 1.378 14.156 -0.370 1.00 0.00 N ATOM 0 H LYS A 41 1.892 10.672 1.397 1.00 0.00 H new ATOM 0 HA LYS A 41 0.968 9.637 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.479 11.858 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.355 11.142 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.813 12.677 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.134 11.087 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.561 12.774 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.463 11.343 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.520 13.566 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.792 12.490 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.194 15.009 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.340 13.812 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.290 14.385 -1.381 1.00 0.00 H new ATOM 558 N TYR A 42 2.911 8.482 -2.266 1.00 0.00 N ATOM 559 CA TYR A 42 3.760 7.447 -2.831 1.00 0.00 C ATOM 560 C TYR A 42 4.139 7.777 -4.276 1.00 0.00 C ATOM 561 O TYR A 42 4.639 6.919 -5.002 1.00 0.00 O ATOM 562 CB TYR A 42 2.929 6.163 -2.815 1.00 0.00 C ATOM 563 CG TYR A 42 3.536 5.018 -3.628 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.269 4.914 -4.978 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.351 4.090 -3.013 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.840 3.836 -5.744 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.922 3.012 -3.777 1.00 0.00 C ATOM 568 CZ TYR A 42 4.638 2.939 -5.106 1.00 0.00 C ATOM 569 OH TYR A 42 5.178 1.921 -5.829 1.00 0.00 O ATOM 0 H TYR A 42 2.372 9.012 -2.951 1.00 0.00 H new ATOM 0 HA TYR A 42 4.683 7.354 -2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.805 5.836 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.934 6.382 -3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.632 5.641 -5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.561 4.173 -1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.639 3.742 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.560 2.279 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 42 5.633 2.285 -6.617 1.00 0.00 H new ATOM 579 N ASN A 43 3.889 9.022 -4.650 1.00 0.00 N ATOM 580 CA ASN A 43 4.197 9.476 -5.996 1.00 0.00 C ATOM 581 C ASN A 43 5.013 8.401 -6.717 1.00 0.00 C ATOM 582 O ASN A 43 6.242 8.438 -6.705 1.00 0.00 O ATOM 583 CB ASN A 43 5.028 10.760 -5.967 1.00 0.00 C ATOM 584 CG ASN A 43 4.141 11.991 -6.168 1.00 0.00 C ATOM 585 OD1 ASN A 43 2.932 11.882 -5.625 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 4.531 12.976 -6.775 1.00 0.00 N flip ATOM 0 H ASN A 43 3.476 9.732 -4.045 1.00 0.00 H new ATOM 0 HA ASN A 43 3.256 9.667 -6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.553 10.837 -5.015 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.788 10.723 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.472 12.994 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.915 13.781 -6.890 1.00 0.00 H new ATOM 593 N ASN A 44 4.295 7.470 -7.328 1.00 0.00 N ATOM 594 CA ASN A 44 4.937 6.387 -8.054 1.00 0.00 C ATOM 595 C ASN A 44 5.950 6.971 -9.041 1.00 0.00 C ATOM 596 O ASN A 44 5.970 8.178 -9.275 1.00 0.00 O ATOM 597 CB ASN A 44 3.915 5.576 -8.850 1.00 0.00 C ATOM 598 CG ASN A 44 3.547 6.286 -10.155 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.385 6.044 -11.157 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.566 7.006 -10.244 1.00 0.00 N flip ATOM 0 H ASN A 44 3.275 7.443 -7.335 1.00 0.00 H new ATOM 0 HA ASN A 44 5.426 5.737 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.321 4.589 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.018 5.424 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.963 7.149 -9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.349 7.465 -11.129 1.00 0.00 H new ATOM 607 N TYR A 45 6.767 6.086 -9.594 1.00 0.00 N ATOM 608 CA TYR A 45 7.780 6.497 -10.550 1.00 0.00 C ATOM 609 C TYR A 45 8.565 5.291 -11.072 1.00 0.00 C ATOM 610 O TYR A 45 8.828 5.188 -12.269 1.00 0.00 O ATOM 611 CB TYR A 45 8.734 7.418 -9.784 1.00 0.00 C ATOM 612 CG TYR A 45 8.455 8.909 -9.987 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.400 9.312 -10.779 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.259 9.849 -9.376 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.138 10.715 -10.970 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.996 11.253 -9.566 1.00 0.00 C ATOM 617 CZ TYR A 45 7.949 11.616 -10.354 1.00 0.00 C ATOM 618 OH TYR A 45 7.702 12.941 -10.533 1.00 0.00 O ATOM 0 H TYR A 45 6.747 5.085 -9.398 1.00 0.00 H new ATOM 0 HA TYR A 45 7.320 6.989 -11.407 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.669 7.188 -8.721 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.757 7.204 -10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.770 8.575 -11.256 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.085 9.533 -8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.316 11.044 -11.588 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.616 12.000 -9.093 1.00 0.00 H new ATOM 0 HH TYR A 45 8.360 13.467 -10.033 1.00 0.00 H new ATOM 628 N GLU A 46 8.916 4.409 -10.147 1.00 0.00 N ATOM 629 CA GLU A 46 9.664 3.215 -10.499 1.00 0.00 C ATOM 630 C GLU A 46 9.081 2.575 -11.761 1.00 0.00 C ATOM 631 O GLU A 46 9.759 1.806 -12.441 1.00 0.00 O ATOM 632 CB GLU A 46 9.684 2.219 -9.339 1.00 0.00 C ATOM 633 CG GLU A 46 10.380 2.818 -8.114 1.00 0.00 C ATOM 634 CD GLU A 46 11.290 3.980 -8.514 1.00 0.00 C ATOM 635 OE1 GLU A 46 10.773 5.117 -8.557 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.483 3.705 -8.769 1.00 0.00 O ATOM 0 H GLU A 46 8.696 4.498 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 46 10.695 3.504 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.664 1.936 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.199 1.309 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.633 3.166 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.966 2.048 -7.612 1.00 0.00 H new ATOM 643 N GLY A 47 7.830 2.916 -12.034 1.00 0.00 N ATOM 644 CA GLY A 47 7.148 2.384 -13.201 1.00 0.00 C ATOM 645 C GLY A 47 5.941 1.538 -12.793 1.00 0.00 C ATOM 646 O GLY A 47 5.844 0.369 -13.162 1.00 0.00 O ATOM 0 H GLY A 47 7.271 3.554 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.822 3.204 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.840 1.778 -13.786 1.00 0.00 H new ATOM 650 N PHE A 48 5.049 2.162 -12.037 1.00 0.00 N ATOM 651 CA PHE A 48 3.852 1.481 -11.574 1.00 0.00 C ATOM 652 C PHE A 48 2.637 1.877 -12.415 1.00 0.00 C ATOM 653 O PHE A 48 2.408 3.060 -12.664 1.00 0.00 O ATOM 654 CB PHE A 48 3.621 1.917 -10.126 1.00 0.00 C ATOM 655 CG PHE A 48 4.641 1.354 -9.135 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.487 0.096 -8.643 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.702 2.111 -8.747 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.434 -0.427 -7.723 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.649 1.588 -7.828 1.00 0.00 C ATOM 660 CZ PHE A 48 6.495 0.329 -7.335 1.00 0.00 C ATOM 0 H PHE A 48 5.132 3.132 -11.734 1.00 0.00 H new ATOM 0 HA PHE A 48 3.981 0.402 -11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.645 3.006 -10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.622 1.606 -9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.645 -0.505 -8.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.824 3.110 -9.138 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.311 -1.426 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.492 2.189 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.215 -0.069 -6.636 1.00 0.00 H new ATOM 670 N ASP A 49 1.888 0.865 -12.828 1.00 0.00 N ATOM 671 CA ASP A 49 0.702 1.093 -13.635 1.00 0.00 C ATOM 672 C ASP A 49 -0.527 1.142 -12.726 1.00 0.00 C ATOM 673 O ASP A 49 -1.356 0.233 -12.746 1.00 0.00 O ATOM 674 CB ASP A 49 0.498 -0.037 -14.645 1.00 0.00 C ATOM 675 CG ASP A 49 1.781 -0.726 -15.114 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.469 -1.300 -14.243 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.045 -0.663 -16.334 1.00 0.00 O ATOM 0 H ASP A 49 2.080 -0.115 -12.619 1.00 0.00 H new ATOM 0 HA ASP A 49 0.833 2.034 -14.168 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.157 -0.786 -14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.020 0.364 -15.516 1.00 0.00 H new ATOM 682 N PHE A 50 -0.606 2.212 -11.948 1.00 0.00 N ATOM 683 CA PHE A 50 -1.720 2.391 -11.032 1.00 0.00 C ATOM 684 C PHE A 50 -2.983 2.820 -11.782 1.00 0.00 C ATOM 685 O PHE A 50 -3.082 3.958 -12.239 1.00 0.00 O ATOM 686 CB PHE A 50 -1.321 3.499 -10.054 1.00 0.00 C ATOM 687 CG PHE A 50 -0.215 3.097 -9.077 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.190 1.801 -9.002 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.366 4.037 -8.283 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.218 1.429 -8.096 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.393 3.665 -7.377 1.00 0.00 C ATOM 692 CZ PHE A 50 1.797 2.368 -7.302 1.00 0.00 C ATOM 0 H PHE A 50 0.083 2.964 -11.933 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.935 1.453 -10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.992 4.369 -10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.201 3.803 -9.486 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.271 1.054 -9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.045 5.067 -8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.540 0.400 -8.038 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.854 4.411 -6.747 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.578 2.085 -6.612 1.00 0.00 H new ATOM 702 N SER A 51 -3.916 1.885 -11.886 1.00 0.00 N ATOM 703 CA SER A 51 -5.169 2.152 -12.572 1.00 0.00 C ATOM 704 C SER A 51 -6.069 3.027 -11.698 1.00 0.00 C ATOM 705 O SER A 51 -7.292 2.979 -11.816 1.00 0.00 O ATOM 706 CB SER A 51 -5.886 0.850 -12.935 1.00 0.00 C ATOM 707 OG SER A 51 -6.443 0.210 -11.791 1.00 0.00 O ATOM 0 H SER A 51 -3.830 0.942 -11.507 1.00 0.00 H new ATOM 0 HA SER A 51 -4.945 2.683 -13.497 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.678 1.061 -13.654 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.184 0.174 -13.423 1.00 0.00 H new ATOM 0 HG SER A 51 -6.893 -0.616 -12.065 1.00 0.00 H new ATOM 713 N VAL A 52 -5.428 3.807 -10.840 1.00 0.00 N ATOM 714 CA VAL A 52 -6.155 4.693 -9.946 1.00 0.00 C ATOM 715 C VAL A 52 -5.610 6.115 -10.088 1.00 0.00 C ATOM 716 O VAL A 52 -4.463 6.306 -10.491 1.00 0.00 O ATOM 717 CB VAL A 52 -6.082 4.164 -8.513 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.440 2.678 -8.457 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.701 4.418 -7.905 1.00 0.00 C ATOM 0 H VAL A 52 -4.413 3.844 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.211 4.723 -10.214 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.816 4.708 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.380 2.328 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.454 2.534 -8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.742 2.112 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.676 4.032 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.942 3.914 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.500 5.489 -7.893 1.00 0.00 H new ATOM 729 N SER A 53 -6.456 7.076 -9.750 1.00 0.00 N ATOM 730 CA SER A 53 -6.073 8.475 -9.834 1.00 0.00 C ATOM 731 C SER A 53 -5.425 8.920 -8.522 1.00 0.00 C ATOM 732 O SER A 53 -5.831 8.485 -7.446 1.00 0.00 O ATOM 733 CB SER A 53 -7.281 9.358 -10.156 1.00 0.00 C ATOM 734 OG SER A 53 -6.891 10.614 -10.707 1.00 0.00 O ATOM 0 H SER A 53 -7.406 6.914 -9.417 1.00 0.00 H new ATOM 0 HA SER A 53 -5.351 8.584 -10.643 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.932 8.840 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.861 9.524 -9.248 1.00 0.00 H new ATOM 0 HG SER A 53 -7.689 11.148 -10.901 1.00 0.00 H new ATOM 740 N SER A 54 -4.426 9.781 -8.654 1.00 0.00 N ATOM 741 CA SER A 54 -3.717 10.289 -7.493 1.00 0.00 C ATOM 742 C SER A 54 -4.667 11.111 -6.618 1.00 0.00 C ATOM 743 O SER A 54 -5.800 11.385 -7.013 1.00 0.00 O ATOM 744 CB SER A 54 -2.513 11.137 -7.909 1.00 0.00 C ATOM 745 OG SER A 54 -2.833 12.524 -7.974 1.00 0.00 O ATOM 0 H SER A 54 -4.091 10.139 -9.548 1.00 0.00 H new ATOM 0 HA SER A 54 -3.348 9.439 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.700 10.986 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.153 10.802 -8.882 1.00 0.00 H new ATOM 0 HG SER A 54 -2.038 13.031 -8.241 1.00 0.00 H new ATOM 751 N PRO A 55 -4.158 11.492 -5.417 1.00 0.00 N ATOM 752 CA PRO A 55 -2.807 11.126 -5.027 1.00 0.00 C ATOM 753 C PRO A 55 -2.731 9.650 -4.630 1.00 0.00 C ATOM 754 O PRO A 55 -3.742 9.048 -4.275 1.00 0.00 O ATOM 755 CB PRO A 55 -2.459 12.067 -3.884 1.00 0.00 C ATOM 756 CG PRO A 55 -3.783 12.607 -3.371 1.00 0.00 C ATOM 757 CD PRO A 55 -4.852 12.278 -4.401 1.00 0.00 C ATOM 0 HA PRO A 55 -2.091 11.229 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.920 11.541 -3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.814 12.876 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.030 12.160 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.721 13.684 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.671 11.714 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.283 13.184 -4.827 1.00 0.00 H new ATOM 765 N TYR A 56 -1.523 9.112 -4.706 1.00 0.00 N ATOM 766 CA TYR A 56 -1.302 7.719 -4.359 1.00 0.00 C ATOM 767 C TYR A 56 -0.742 7.588 -2.941 1.00 0.00 C ATOM 768 O TYR A 56 0.334 8.105 -2.644 1.00 0.00 O ATOM 769 CB TYR A 56 -0.264 7.196 -5.354 1.00 0.00 C ATOM 770 CG TYR A 56 -0.740 7.199 -6.808 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.084 7.073 -7.095 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.175 7.327 -7.833 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.532 7.076 -8.463 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.273 7.330 -9.201 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.604 7.205 -9.449 1.00 0.00 C ATOM 776 OH TYR A 56 -2.026 7.207 -10.742 1.00 0.00 O ATOM 0 H TYR A 56 -0.687 9.616 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.238 7.161 -4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.637 7.804 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.012 6.179 -5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.800 6.972 -6.293 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.227 7.425 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.581 6.978 -8.701 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.433 7.429 -10.013 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.813 6.630 -10.830 1.00 0.00 H new ATOM 786 N TYR A 57 -1.498 6.895 -2.102 1.00 0.00 N ATOM 787 CA TYR A 57 -1.091 6.690 -0.722 1.00 0.00 C ATOM 788 C TYR A 57 -0.504 5.290 -0.526 1.00 0.00 C ATOM 789 O TYR A 57 -1.104 4.298 -0.937 1.00 0.00 O ATOM 790 CB TYR A 57 -2.364 6.818 0.117 1.00 0.00 C ATOM 791 CG TYR A 57 -3.064 8.172 -0.019 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.364 9.268 -0.481 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.396 8.296 0.319 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.023 10.542 -0.608 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.056 9.570 0.192 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.336 10.631 -0.266 1.00 0.00 C ATOM 797 OH TYR A 57 -4.959 11.833 -0.386 1.00 0.00 O ATOM 0 H TYR A 57 -2.390 6.468 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.327 7.413 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.059 6.030 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.115 6.653 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.322 9.170 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.944 7.438 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.486 11.408 -0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.098 9.681 0.454 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.433 12.040 0.446 1.00 0.00 H new ATOM 807 N GLU A 58 0.662 5.255 0.104 1.00 0.00 N ATOM 808 CA GLU A 58 1.336 3.994 0.359 1.00 0.00 C ATOM 809 C GLU A 58 0.952 3.456 1.740 1.00 0.00 C ATOM 810 O GLU A 58 0.793 4.226 2.686 1.00 0.00 O ATOM 811 CB GLU A 58 2.853 4.148 0.234 1.00 0.00 C ATOM 812 CG GLU A 58 3.393 5.123 1.282 1.00 0.00 C ATOM 813 CD GLU A 58 3.317 4.519 2.686 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.718 3.344 2.820 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.857 5.247 3.592 1.00 0.00 O ATOM 0 H GLU A 58 1.156 6.080 0.445 1.00 0.00 H new ATOM 0 HA GLU A 58 1.013 3.274 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.332 3.176 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.105 4.505 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.427 5.378 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.821 6.050 1.250 1.00 0.00 H new ATOM 822 N TRP A 59 0.813 2.141 1.809 1.00 0.00 N ATOM 823 CA TRP A 59 0.450 1.492 3.058 1.00 0.00 C ATOM 824 C TRP A 59 0.819 0.012 2.946 1.00 0.00 C ATOM 825 O TRP A 59 0.645 -0.596 1.891 1.00 0.00 O ATOM 826 CB TRP A 59 -1.028 1.718 3.383 1.00 0.00 C ATOM 827 CG TRP A 59 -1.556 0.840 4.519 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.105 -0.380 4.434 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.562 1.165 5.925 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.463 -0.862 5.676 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.123 0.108 6.613 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.109 2.316 6.596 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.282 0.095 8.003 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.276 2.287 7.985 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.838 1.231 8.691 1.00 0.00 C ATOM 0 H TRP A 59 0.945 1.507 1.021 1.00 0.00 H new ATOM 0 HA TRP A 59 1.001 1.925 3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.175 2.765 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.619 1.530 2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.249 -0.918 3.509 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.897 -1.764 5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.667 3.155 6.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.723 -0.746 8.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.944 3.147 8.548 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.932 1.286 9.765 1.00 0.00 H new ATOM 846 N PRO A 60 1.333 -0.539 4.078 1.00 0.00 N ATOM 847 CA PRO A 60 1.728 -1.938 4.116 1.00 0.00 C ATOM 848 C PRO A 60 0.502 -2.851 4.188 1.00 0.00 C ATOM 849 O PRO A 60 -0.524 -2.477 4.753 1.00 0.00 O ATOM 850 CB PRO A 60 2.630 -2.058 5.333 1.00 0.00 C ATOM 851 CG PRO A 60 2.337 -0.838 6.192 1.00 0.00 C ATOM 852 CD PRO A 60 1.553 0.151 5.345 1.00 0.00 C ATOM 0 HA PRO A 60 2.254 -2.252 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.427 -2.979 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.679 -2.086 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.765 -1.122 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.265 -0.387 6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.609 0.418 5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.110 1.077 5.200 1.00 0.00 H new ATOM 860 N ILE A 61 0.650 -4.032 3.606 1.00 0.00 N ATOM 861 CA ILE A 61 -0.432 -5.002 3.596 1.00 0.00 C ATOM 862 C ILE A 61 0.014 -6.265 4.337 1.00 0.00 C ATOM 863 O ILE A 61 0.944 -6.944 3.907 1.00 0.00 O ATOM 864 CB ILE A 61 -0.904 -5.263 2.165 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.083 -6.240 2.146 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.251 -5.744 1.285 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.390 -6.700 0.720 1.00 0.00 C ATOM 0 H ILE A 61 1.503 -4.339 3.138 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.300 -4.610 4.127 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.258 -4.321 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.854 -7.104 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.963 -5.762 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.112 -5.922 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.032 -4.984 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.658 -6.669 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.231 -7.393 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.642 -5.836 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.516 -7.199 0.303 1.00 0.00 H new ATOM 879 N LEU A 62 -0.671 -6.540 5.437 1.00 0.00 N ATOM 880 CA LEU A 62 -0.357 -7.708 6.242 1.00 0.00 C ATOM 881 C LEU A 62 -1.020 -8.941 5.624 1.00 0.00 C ATOM 882 O LEU A 62 -2.239 -8.977 5.460 1.00 0.00 O ATOM 883 CB LEU A 62 -0.740 -7.470 7.704 1.00 0.00 C ATOM 884 CG LEU A 62 0.009 -6.345 8.420 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.709 -5.941 9.709 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.467 -6.732 8.673 1.00 0.00 C ATOM 0 H LEU A 62 -1.443 -5.974 5.790 1.00 0.00 H new ATOM 0 HA LEU A 62 0.717 -7.892 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.808 -7.254 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.579 -8.396 8.256 1.00 0.00 H new ATOM 0 HG LEU A 62 0.016 -5.471 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.155 -5.140 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.715 -5.595 9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.769 -6.800 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.977 -5.915 9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.503 -7.627 9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.961 -6.931 7.722 1.00 0.00 H new ATOM 898 N SER A 63 -0.190 -9.920 5.298 1.00 0.00 N ATOM 899 CA SER A 63 -0.681 -11.150 4.701 1.00 0.00 C ATOM 900 C SER A 63 -1.713 -11.803 5.624 1.00 0.00 C ATOM 901 O SER A 63 -2.449 -12.695 5.204 1.00 0.00 O ATOM 902 CB SER A 63 0.467 -12.121 4.417 1.00 0.00 C ATOM 903 OG SER A 63 1.341 -12.255 5.534 1.00 0.00 O ATOM 0 H SER A 63 0.820 -9.887 5.436 1.00 0.00 H new ATOM 0 HA SER A 63 -1.156 -10.904 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.060 -13.098 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.033 -11.771 3.554 1.00 0.00 H new ATOM 0 HG SER A 63 2.059 -12.884 5.314 1.00 0.00 H new ATOM 909 N SER A 64 -1.733 -11.334 6.863 1.00 0.00 N ATOM 910 CA SER A 64 -2.661 -11.861 7.848 1.00 0.00 C ATOM 911 C SER A 64 -4.037 -11.217 7.668 1.00 0.00 C ATOM 912 O SER A 64 -5.040 -11.742 8.149 1.00 0.00 O ATOM 913 CB SER A 64 -2.148 -11.626 9.270 1.00 0.00 C ATOM 914 OG SER A 64 -0.724 -11.579 9.322 1.00 0.00 O ATOM 0 H SER A 64 -1.121 -10.594 7.207 1.00 0.00 H new ATOM 0 HA SER A 64 -2.747 -12.937 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.556 -10.691 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.509 -12.422 9.922 1.00 0.00 H new ATOM 0 HG SER A 64 -0.435 -11.426 10.246 1.00 0.00 H new ATOM 920 N GLY A 65 -4.040 -10.089 6.972 1.00 0.00 N ATOM 921 CA GLY A 65 -5.277 -9.367 6.722 1.00 0.00 C ATOM 922 C GLY A 65 -5.611 -8.433 7.887 1.00 0.00 C ATOM 923 O GLY A 65 -6.781 -8.240 8.216 1.00 0.00 O ATOM 0 H GLY A 65 -3.206 -9.657 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.186 -8.789 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.092 -10.075 6.574 1.00 0.00 H new ATOM 927 N ASP A 66 -4.564 -7.878 8.478 1.00 0.00 N ATOM 928 CA ASP A 66 -4.731 -6.968 9.599 1.00 0.00 C ATOM 929 C ASP A 66 -4.413 -5.542 9.145 1.00 0.00 C ATOM 930 O ASP A 66 -4.195 -5.298 7.959 1.00 0.00 O ATOM 931 CB ASP A 66 -3.781 -7.323 10.744 1.00 0.00 C ATOM 932 CG ASP A 66 -4.150 -8.588 11.522 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.194 -9.659 10.877 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.380 -8.455 12.743 1.00 0.00 O ATOM 0 H ASP A 66 -3.596 -8.041 8.202 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.761 -7.049 9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.777 -7.444 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.745 -6.484 11.439 1.00 0.00 H new ATOM 939 N VAL A 67 -4.396 -4.637 10.112 1.00 0.00 N ATOM 940 CA VAL A 67 -4.107 -3.242 9.827 1.00 0.00 C ATOM 941 C VAL A 67 -2.718 -2.893 10.363 1.00 0.00 C ATOM 942 O VAL A 67 -2.542 -2.702 11.566 1.00 0.00 O ATOM 943 CB VAL A 67 -5.212 -2.351 10.401 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.712 -0.918 10.600 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.456 -2.379 9.513 1.00 0.00 C ATOM 0 H VAL A 67 -4.578 -4.843 11.094 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.093 -3.067 8.751 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.489 -2.748 11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.516 -0.306 11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.869 -0.919 11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.394 -0.507 9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.225 -1.738 9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.200 -2.019 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.831 -3.400 9.445 1.00 0.00 H new ATOM 955 N TYR A 68 -1.766 -2.820 9.445 1.00 0.00 N ATOM 956 CA TYR A 68 -0.396 -2.498 9.810 1.00 0.00 C ATOM 957 C TYR A 68 -0.355 -1.355 10.827 1.00 0.00 C ATOM 958 O TYR A 68 -0.495 -0.188 10.460 1.00 0.00 O ATOM 959 CB TYR A 68 0.288 -2.042 8.519 1.00 0.00 C ATOM 960 CG TYR A 68 1.252 -0.869 8.709 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.438 -1.052 9.389 1.00 0.00 C ATOM 962 CD2 TYR A 68 0.935 0.374 8.196 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.345 0.052 9.566 1.00 0.00 C ATOM 964 CE2 TYR A 68 1.842 1.477 8.373 1.00 0.00 C ATOM 965 CZ TYR A 68 3.002 1.263 9.049 1.00 0.00 C ATOM 966 OH TYR A 68 3.859 2.306 9.217 1.00 0.00 O ATOM 0 H TYR A 68 -1.916 -2.978 8.449 1.00 0.00 H new ATOM 0 HA TYR A 68 0.095 -3.361 10.261 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.834 -2.883 8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.476 -1.758 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.686 -2.024 9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.007 0.518 7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.276 -0.078 10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.606 2.454 7.977 1.00 0.00 H new ATOM 0 HH TYR A 68 4.000 2.756 8.358 1.00 0.00 H new ATOM 976 N SER A 69 -0.163 -1.730 12.083 1.00 0.00 N ATOM 977 CA SER A 69 -0.102 -0.750 13.154 1.00 0.00 C ATOM 978 C SER A 69 1.172 -0.954 13.977 1.00 0.00 C ATOM 979 O SER A 69 1.157 -0.806 15.198 1.00 0.00 O ATOM 980 CB SER A 69 -1.336 -0.842 14.055 1.00 0.00 C ATOM 981 OG SER A 69 -1.302 -1.996 14.891 1.00 0.00 O ATOM 0 H SER A 69 -0.048 -2.698 12.383 1.00 0.00 H new ATOM 0 HA SER A 69 -0.084 0.244 12.708 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.400 0.053 14.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.234 -0.868 13.438 1.00 0.00 H new ATOM 0 HG SER A 69 -2.106 -2.018 15.452 1.00 0.00 H new ATOM 987 N GLY A 70 2.244 -1.290 13.275 1.00 0.00 N ATOM 988 CA GLY A 70 3.524 -1.515 13.924 1.00 0.00 C ATOM 989 C GLY A 70 4.537 -0.438 13.531 1.00 0.00 C ATOM 990 O GLY A 70 4.971 0.348 14.372 1.00 0.00 O ATOM 0 H GLY A 70 2.252 -1.412 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.391 -1.517 15.006 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.907 -2.497 13.648 1.00 0.00 H new ATOM 994 N GLY A 71 4.881 -0.434 12.252 1.00 0.00 N ATOM 995 CA GLY A 71 5.834 0.534 11.736 1.00 0.00 C ATOM 996 C GLY A 71 7.110 -0.157 11.250 1.00 0.00 C ATOM 997 O GLY A 71 8.142 0.488 11.078 1.00 0.00 O ATOM 0 H GLY A 71 4.517 -1.086 11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.383 1.091 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.081 1.256 12.514 1.00 0.00 H new ATOM 1001 N SER A 72 6.996 -1.461 11.043 1.00 0.00 N ATOM 1002 CA SER A 72 8.128 -2.247 10.580 1.00 0.00 C ATOM 1003 C SER A 72 7.657 -3.303 9.579 1.00 0.00 C ATOM 1004 O SER A 72 8.050 -4.465 9.666 1.00 0.00 O ATOM 1005 CB SER A 72 8.852 -2.912 11.752 1.00 0.00 C ATOM 1006 OG SER A 72 8.899 -2.068 12.899 1.00 0.00 O ATOM 0 H SER A 72 6.138 -1.993 11.187 1.00 0.00 H new ATOM 0 HA SER A 72 8.832 -1.576 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.348 -3.844 12.008 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.867 -3.171 11.451 1.00 0.00 H new ATOM 0 HG SER A 72 9.368 -2.529 13.626 1.00 0.00 H new ATOM 1012 N PRO A 73 6.798 -2.849 8.626 1.00 0.00 N ATOM 1013 CA PRO A 73 6.270 -3.742 7.609 1.00 0.00 C ATOM 1014 C PRO A 73 7.331 -4.059 6.552 1.00 0.00 C ATOM 1015 O PRO A 73 7.532 -5.219 6.200 1.00 0.00 O ATOM 1016 CB PRO A 73 5.061 -3.018 7.039 1.00 0.00 C ATOM 1017 CG PRO A 73 5.229 -1.557 7.426 1.00 0.00 C ATOM 1018 CD PRO A 73 6.311 -1.479 8.492 1.00 0.00 C ATOM 0 HA PRO A 73 5.983 -4.714 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.012 -3.132 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.135 -3.425 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.506 -0.961 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.290 -1.152 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.111 -0.801 8.195 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.912 -1.107 9.435 1.00 0.00 H new ATOM 1026 N GLY A 74 7.979 -3.006 6.077 1.00 0.00 N ATOM 1027 CA GLY A 74 9.013 -3.157 5.067 1.00 0.00 C ATOM 1028 C GLY A 74 8.818 -4.449 4.272 1.00 0.00 C ATOM 1029 O GLY A 74 9.284 -5.511 4.682 1.00 0.00 O ATOM 0 H GLY A 74 7.808 -2.045 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.993 -2.303 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.993 -3.163 5.543 1.00 0.00 H new ATOM 1033 N ALA A 75 8.128 -4.316 3.148 1.00 0.00 N ATOM 1034 CA ALA A 75 7.865 -5.461 2.291 1.00 0.00 C ATOM 1035 C ALA A 75 6.548 -5.242 1.547 1.00 0.00 C ATOM 1036 O ALA A 75 6.499 -4.499 0.567 1.00 0.00 O ATOM 1037 CB ALA A 75 7.855 -6.738 3.134 1.00 0.00 C ATOM 0 H ALA A 75 7.743 -3.434 2.811 1.00 0.00 H new ATOM 0 HA ALA A 75 8.651 -5.571 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.658 -7.596 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.824 -6.862 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.076 -6.667 3.893 1.00 0.00 H new ATOM 1043 N ASP A 76 5.510 -5.904 2.038 1.00 0.00 N ATOM 1044 CA ASP A 76 4.195 -5.791 1.430 1.00 0.00 C ATOM 1045 C ASP A 76 3.624 -4.400 1.714 1.00 0.00 C ATOM 1046 O ASP A 76 3.606 -3.955 2.860 1.00 0.00 O ATOM 1047 CB ASP A 76 3.229 -6.826 2.013 1.00 0.00 C ATOM 1048 CG ASP A 76 3.727 -8.272 1.970 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.303 -8.643 0.923 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.520 -8.974 2.983 1.00 0.00 O ATOM 0 H ASP A 76 5.553 -6.520 2.850 1.00 0.00 H new ATOM 0 HA ASP A 76 4.303 -5.960 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.018 -6.561 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.286 -6.766 1.470 1.00 0.00 H new ATOM 1055 N ARG A 77 3.173 -3.753 0.650 1.00 0.00 N ATOM 1056 CA ARG A 77 2.603 -2.422 0.769 1.00 0.00 C ATOM 1057 C ARG A 77 1.568 -2.187 -0.333 1.00 0.00 C ATOM 1058 O ARG A 77 1.819 -2.483 -1.500 1.00 0.00 O ATOM 1059 CB ARG A 77 3.689 -1.348 0.676 1.00 0.00 C ATOM 1060 CG ARG A 77 4.665 -1.451 1.850 1.00 0.00 C ATOM 1061 CD ARG A 77 4.375 -0.379 2.901 1.00 0.00 C ATOM 1062 NE ARG A 77 5.642 0.121 3.479 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.496 -0.635 4.182 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.225 -1.929 4.398 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.624 -0.096 4.668 1.00 0.00 N ATOM 0 H ARG A 77 3.191 -4.126 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 77 2.122 -2.353 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.232 -1.455 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.229 -0.360 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.590 -2.439 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.687 -1.343 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.822 0.445 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.745 -0.792 3.689 1.00 0.00 H new ATOM 0 HE ARG A 77 5.880 1.102 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.368 -2.339 4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.876 -2.504 4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.831 0.889 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.275 -0.671 5.203 1.00 0.00 H new ATOM 1079 N VAL A 78 0.425 -1.656 0.078 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.650 -1.377 -0.860 1.00 0.00 C ATOM 1081 C VAL A 78 -0.755 0.133 -1.075 1.00 0.00 C ATOM 1082 O VAL A 78 -0.934 0.889 -0.121 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.955 -2.003 -0.360 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.960 -3.515 -0.588 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.194 -1.669 1.114 1.00 0.00 C ATOM 0 H VAL A 78 0.220 -1.412 1.047 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.438 -1.828 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.775 -1.575 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.898 -3.935 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.859 -3.723 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.127 -3.967 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.127 -2.126 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.369 -2.055 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.256 -0.588 1.237 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.638 0.530 -2.333 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.717 1.937 -2.686 1.00 0.00 C ATOM 1097 C VAL A 79 -2.144 2.268 -3.127 1.00 0.00 C ATOM 1098 O VAL A 79 -2.757 1.513 -3.879 1.00 0.00 O ATOM 1099 CB VAL A 79 0.330 2.269 -3.751 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.171 3.709 -4.245 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.745 2.022 -3.225 1.00 0.00 C ATOM 0 H VAL A 79 -0.489 -0.099 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.491 2.561 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 79 0.168 1.604 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.927 3.920 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.821 3.838 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.294 4.396 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.470 2.266 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.924 2.650 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.852 0.974 -2.946 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.633 3.399 -2.638 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.977 3.839 -2.971 1.00 0.00 C ATOM 1113 C PHE A 80 -4.056 5.366 -3.027 1.00 0.00 C ATOM 1114 O PHE A 80 -3.030 6.042 -3.084 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.902 3.333 -1.862 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.681 4.012 -0.509 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.532 3.792 0.182 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.635 4.836 0.001 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.327 4.423 1.438 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.430 5.467 1.257 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.281 5.247 1.950 1.00 0.00 C ATOM 0 H PHE A 80 -2.122 4.023 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.264 3.451 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.937 3.485 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.759 2.259 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.775 3.137 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.548 5.011 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.413 4.249 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.187 6.122 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.126 5.726 2.906 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.283 5.864 -3.008 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.509 7.299 -3.055 1.00 0.00 C ATOM 1133 C ASN A 81 -6.527 7.687 -1.982 1.00 0.00 C ATOM 1134 O ASN A 81 -6.903 6.861 -1.150 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.069 7.723 -4.414 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.695 6.714 -5.502 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.834 6.947 -6.333 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.389 5.581 -5.448 1.00 0.00 N ATOM 0 H ASN A 81 -6.131 5.300 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.554 7.796 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.154 7.811 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.684 8.708 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.214 4.843 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.097 5.450 -4.725 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.947 8.942 -2.035 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.914 9.449 -1.078 1.00 0.00 C ATOM 1147 C GLU A 82 -9.339 9.195 -1.578 1.00 0.00 C ATOM 1148 O GLU A 82 -10.287 9.822 -1.107 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.688 10.937 -0.803 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.159 11.313 0.603 1.00 0.00 C ATOM 1151 CD GLU A 82 -7.788 12.759 0.937 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -6.759 13.220 0.398 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.542 13.371 1.725 1.00 0.00 O ATOM 0 H GLU A 82 -6.635 9.623 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.778 8.915 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.630 11.174 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.225 11.532 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.239 11.185 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.709 10.640 1.333 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.444 8.276 -2.526 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.736 7.932 -3.095 1.00 0.00 C ATOM 1162 C ASN A 83 -11.133 6.528 -2.634 1.00 0.00 C ATOM 1163 O ASN A 83 -12.315 6.190 -2.613 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.681 7.930 -4.624 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.234 7.935 -5.121 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.755 6.726 -5.402 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.595 8.968 -5.242 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.655 7.759 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.461 8.675 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.198 7.051 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.205 8.804 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.024 9.863 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.632 8.936 -5.577 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.123 5.749 -2.277 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.353 4.389 -1.818 1.00 0.00 C ATOM 1176 C ASN A 84 -9.949 3.408 -2.921 1.00 0.00 C ATOM 1177 O ASN A 84 -10.430 2.277 -2.957 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.830 4.158 -1.497 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.620 3.822 -2.763 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.068 4.281 -3.883 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.662 3.186 -2.727 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.144 6.033 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.760 4.233 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.927 3.345 -0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.248 5.049 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.032 2.863 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.163 2.978 -3.591 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.069 3.878 -3.793 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.596 3.056 -4.894 1.00 0.00 C ATOM 1190 C GLN A 85 -7.158 2.599 -4.635 1.00 0.00 C ATOM 1191 O GLN A 85 -6.308 3.400 -4.249 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.700 3.807 -6.223 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.157 4.142 -6.549 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.249 5.050 -7.778 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.700 4.655 -8.841 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.798 6.283 -7.574 1.00 0.00 N ATOM 0 H GLN A 85 -8.671 4.817 -3.760 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.232 2.173 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.114 4.725 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.275 3.200 -7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.714 3.222 -6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.621 4.633 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.433 6.548 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.816 6.965 -8.332 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.932 1.312 -4.858 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.612 0.739 -4.653 1.00 0.00 C ATOM 1207 C LEU A 86 -4.765 0.961 -5.908 1.00 0.00 C ATOM 1208 O LEU A 86 -5.219 0.706 -7.022 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.725 -0.730 -4.239 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.241 -1.755 -5.266 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.035 -2.534 -4.737 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.380 -2.683 -5.693 1.00 0.00 C ATOM 0 H LEU A 86 -7.640 0.651 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.102 1.240 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.159 -0.872 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.769 -0.942 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.912 -1.218 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.711 -3.256 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.220 -1.842 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.314 -3.060 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.009 -3.402 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.762 -3.215 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.182 -2.094 -6.139 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.548 1.434 -5.684 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.631 1.693 -6.782 1.00 0.00 C ATOM 1226 C ALA A 87 -2.099 0.364 -7.320 1.00 0.00 C ATOM 1227 O ALA A 87 -1.930 0.202 -8.528 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.512 2.620 -6.306 1.00 0.00 C ATOM 0 H ALA A 87 -3.175 1.645 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.145 2.198 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.825 2.814 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.941 3.561 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.971 2.147 -5.486 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.849 -0.554 -6.398 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.338 -1.864 -6.766 1.00 0.00 C ATOM 1236 C GLY A 88 -0.876 -2.639 -5.529 1.00 0.00 C ATOM 1237 O GLY A 88 -1.478 -2.528 -4.462 1.00 0.00 O ATOM 0 H GLY A 88 -1.991 -0.417 -5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.113 -2.428 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.506 -1.752 -7.461 1.00 0.00 H new ATOM 1241 N VAL A 89 0.188 -3.406 -5.715 1.00 0.00 N ATOM 1242 CA VAL A 89 0.737 -4.198 -4.627 1.00 0.00 C ATOM 1243 C VAL A 89 2.262 -4.218 -4.737 1.00 0.00 C ATOM 1244 O VAL A 89 2.830 -5.083 -5.403 1.00 0.00 O ATOM 1245 CB VAL A 89 0.120 -5.598 -4.636 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.727 -6.474 -3.538 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.403 -5.526 -4.501 1.00 0.00 C ATOM 0 H VAL A 89 0.684 -3.496 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 89 0.485 -3.752 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 89 0.351 -6.059 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.270 -7.463 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.801 -6.566 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.543 -6.018 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.817 -6.534 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.662 -5.036 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.816 -4.957 -5.334 1.00 0.00 H new ATOM 1257 N ILE A 90 2.885 -3.255 -4.074 1.00 0.00 N ATOM 1258 CA ILE A 90 4.334 -3.151 -4.088 1.00 0.00 C ATOM 1259 C ILE A 90 4.915 -4.036 -2.984 1.00 0.00 C ATOM 1260 O ILE A 90 4.191 -4.484 -2.096 1.00 0.00 O ATOM 1261 CB ILE A 90 4.767 -1.686 -3.993 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.552 -1.142 -2.578 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.057 -0.835 -5.047 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.294 0.366 -2.604 1.00 0.00 C ATOM 0 H ILE A 90 2.412 -2.539 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 90 4.733 -3.517 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 90 5.836 -1.631 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.708 -1.651 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.429 -1.354 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.383 0.201 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.302 -1.208 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.979 -0.891 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.145 0.727 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.150 0.874 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.403 0.573 -3.197 1.00 0.00 H new ATOM 1276 N THR A 91 6.218 -4.264 -3.076 1.00 0.00 N ATOM 1277 CA THR A 91 6.905 -5.089 -2.098 1.00 0.00 C ATOM 1278 C THR A 91 8.405 -4.789 -2.108 1.00 0.00 C ATOM 1279 O THR A 91 8.975 -4.486 -3.154 1.00 0.00 O ATOM 1280 CB THR A 91 6.575 -6.552 -2.398 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.631 -7.280 -1.777 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.711 -6.891 -3.883 1.00 0.00 C ATOM 0 H THR A 91 6.815 -3.891 -3.814 1.00 0.00 H new ATOM 0 HA THR A 91 6.568 -4.867 -1.086 1.00 0.00 H new ATOM 0 HB THR A 91 5.559 -6.770 -2.069 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.381 -8.225 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.465 -7.941 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.029 -6.268 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.735 -6.706 -4.206 1.00 0.00 H new ATOM 1290 N HIS A 92 9.002 -4.885 -0.928 1.00 0.00 N ATOM 1291 CA HIS A 92 10.425 -4.628 -0.788 1.00 0.00 C ATOM 1292 C HIS A 92 11.217 -5.684 -1.563 1.00 0.00 C ATOM 1293 O HIS A 92 12.411 -5.517 -1.804 1.00 0.00 O ATOM 1294 CB HIS A 92 10.821 -4.556 0.688 1.00 0.00 C ATOM 1295 CG HIS A 92 10.380 -3.288 1.381 1.00 0.00 C ATOM 1296 ND1 HIS A 92 9.267 -2.520 1.207 1.00 0.00 N flip ATOM 1297 CD2 HIS A 92 11.121 -2.684 2.381 1.00 0.00 C flip ATOM 1298 CE1 HIS A 92 9.325 -1.501 2.056 1.00 0.00 C flip ATOM 1299 NE2 HIS A 92 10.474 -1.601 2.785 1.00 0.00 N flip ATOM 0 H HIS A 92 8.526 -5.137 -0.062 1.00 0.00 H new ATOM 0 HA HIS A 92 10.666 -3.656 -1.218 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.393 -5.411 1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.905 -4.644 0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 92 8.517 -2.698 0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 92 12.066 -3.036 2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 92 8.584 -0.721 2.154 1.00 0.00 H new ATOM 1308 N THR A 93 10.518 -6.747 -1.932 1.00 0.00 N ATOM 1309 CA THR A 93 11.140 -7.830 -2.675 1.00 0.00 C ATOM 1310 C THR A 93 11.394 -7.406 -4.123 1.00 0.00 C ATOM 1311 O THR A 93 10.888 -6.378 -4.571 1.00 0.00 O ATOM 1312 CB THR A 93 10.243 -9.064 -2.552 1.00 0.00 C ATOM 1313 OG1 THR A 93 10.738 -9.738 -1.398 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.463 -10.063 -3.690 1.00 0.00 C ATOM 0 H THR A 93 9.527 -6.882 -1.731 1.00 0.00 H new ATOM 0 HA THR A 93 12.119 -8.079 -2.266 1.00 0.00 H new ATOM 0 HB THR A 93 9.198 -8.754 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.212 -10.550 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.803 -10.920 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.244 -9.582 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.500 -10.400 -3.683 1.00 0.00 H new ATOM 1322 N GLY A 94 12.180 -8.219 -4.815 1.00 0.00 N ATOM 1323 CA GLY A 94 12.508 -7.941 -6.203 1.00 0.00 C ATOM 1324 C GLY A 94 12.713 -6.441 -6.428 1.00 0.00 C ATOM 1325 O GLY A 94 12.294 -5.901 -7.450 1.00 0.00 O ATOM 0 H GLY A 94 12.599 -9.070 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.413 -8.481 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.708 -8.303 -6.849 1.00 0.00 H new ATOM 1329 N ALA A 95 13.356 -5.812 -5.455 1.00 0.00 N ATOM 1330 CA ALA A 95 13.621 -4.385 -5.535 1.00 0.00 C ATOM 1331 C ALA A 95 15.134 -4.152 -5.545 1.00 0.00 C ATOM 1332 O ALA A 95 15.911 -5.092 -5.387 1.00 0.00 O ATOM 1333 CB ALA A 95 12.929 -3.671 -4.373 1.00 0.00 C ATOM 0 H ALA A 95 13.701 -6.264 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 95 13.217 -3.971 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.128 -2.601 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.854 -3.844 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.311 -4.058 -3.429 1.00 0.00 H new ATOM 1339 N SER A 96 15.505 -2.894 -5.730 1.00 0.00 N ATOM 1340 CA SER A 96 16.909 -2.525 -5.763 1.00 0.00 C ATOM 1341 C SER A 96 17.297 -1.824 -4.459 1.00 0.00 C ATOM 1342 O SER A 96 17.973 -0.797 -4.479 1.00 0.00 O ATOM 1343 CB SER A 96 17.216 -1.623 -6.960 1.00 0.00 C ATOM 1344 OG SER A 96 18.475 -0.970 -6.830 1.00 0.00 O ATOM 0 H SER A 96 14.857 -2.117 -5.859 1.00 0.00 H new ATOM 0 HA SER A 96 17.498 -3.436 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 96 17.210 -2.218 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.429 -0.876 -7.061 1.00 0.00 H new ATOM 0 HG SER A 96 18.479 -0.428 -6.014 1.00 0.00 H new ATOM 1350 N GLY A 97 16.849 -2.407 -3.356 1.00 0.00 N ATOM 1351 CA GLY A 97 17.140 -1.851 -2.045 1.00 0.00 C ATOM 1352 C GLY A 97 15.864 -1.706 -1.215 1.00 0.00 C ATOM 1353 O GLY A 97 15.155 -2.685 -0.983 1.00 0.00 O ATOM 0 H GLY A 97 16.287 -3.258 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.847 -2.495 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.618 -0.878 -2.157 1.00 0.00 H new ATOM 1357 N ASN A 98 15.608 -0.478 -0.790 1.00 0.00 N ATOM 1358 CA ASN A 98 14.429 -0.193 0.009 1.00 0.00 C ATOM 1359 C ASN A 98 13.293 0.262 -0.909 1.00 0.00 C ATOM 1360 O ASN A 98 12.217 0.626 -0.439 1.00 0.00 O ATOM 1361 CB ASN A 98 14.702 0.929 1.013 1.00 0.00 C ATOM 1362 CG ASN A 98 13.410 1.378 1.699 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.565 0.385 1.963 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.195 2.547 1.971 1.00 0.00 N flip ATOM 0 H ASN A 98 16.197 0.332 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 98 14.159 -1.102 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.415 0.586 1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.160 1.776 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.887 3.260 1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.323 2.812 2.429 1.00 0.00 H new ATOM 1371 N ASN A 99 13.572 0.227 -2.205 1.00 0.00 N ATOM 1372 CA ASN A 99 12.588 0.631 -3.193 1.00 0.00 C ATOM 1373 C ASN A 99 11.385 -0.311 -3.123 1.00 0.00 C ATOM 1374 O ASN A 99 11.325 -1.185 -2.260 1.00 0.00 O ATOM 1375 CB ASN A 99 13.165 0.555 -4.608 1.00 0.00 C ATOM 1376 CG ASN A 99 14.423 -0.315 -4.641 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.330 -1.427 -3.918 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 15.412 0.002 -5.281 1.00 0.00 N flip ATOM 0 H ASN A 99 14.466 -0.075 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 99 12.296 1.659 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.418 0.146 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.403 1.558 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.417 0.871 -5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.234 -0.602 -5.282 1.00 0.00 H new ATOM 1385 N PHE A 100 10.454 -0.102 -4.043 1.00 0.00 N ATOM 1386 CA PHE A 100 9.256 -0.922 -4.097 1.00 0.00 C ATOM 1387 C PHE A 100 9.018 -1.453 -5.511 1.00 0.00 C ATOM 1388 O PHE A 100 9.600 -0.955 -6.472 1.00 0.00 O ATOM 1389 CB PHE A 100 8.082 -0.025 -3.698 1.00 0.00 C ATOM 1390 CG PHE A 100 7.968 0.218 -2.191 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.633 -0.805 -1.361 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.204 1.457 -1.682 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.527 -0.580 0.037 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.098 1.683 -0.284 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.763 0.659 0.546 1.00 0.00 C ATOM 0 H PHE A 100 10.506 0.624 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 100 9.361 -1.777 -3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.184 0.935 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.156 -0.476 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.447 -1.789 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.472 2.269 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.259 -1.393 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.283 2.667 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.684 0.830 1.610 1.00 0.00 H new ATOM 1405 N VAL A 101 8.161 -2.460 -5.594 1.00 0.00 N ATOM 1406 CA VAL A 101 7.838 -3.065 -6.874 1.00 0.00 C ATOM 1407 C VAL A 101 6.545 -3.872 -6.742 1.00 0.00 C ATOM 1408 O VAL A 101 6.380 -4.636 -5.792 1.00 0.00 O ATOM 1409 CB VAL A 101 9.017 -3.905 -7.369 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.236 -3.024 -7.655 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.362 -5.009 -6.367 1.00 0.00 C ATOM 0 H VAL A 101 7.680 -2.872 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 101 7.665 -2.295 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 101 8.721 -4.381 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.060 -3.646 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.983 -2.291 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.534 -2.507 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.203 -5.591 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.629 -4.561 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.499 -5.662 -6.234 1.00 0.00 H new ATOM 1421 N GLU A 102 5.660 -3.676 -7.708 1.00 0.00 N ATOM 1422 CA GLU A 102 4.386 -4.375 -7.711 1.00 0.00 C ATOM 1423 C GLU A 102 4.609 -5.883 -7.570 1.00 0.00 C ATOM 1424 O GLU A 102 5.349 -6.481 -8.349 1.00 0.00 O ATOM 1425 CB GLU A 102 3.588 -4.056 -8.977 1.00 0.00 C ATOM 1426 CG GLU A 102 4.515 -3.628 -10.116 1.00 0.00 C ATOM 1427 CD GLU A 102 3.869 -3.894 -11.478 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.299 -4.996 -11.629 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.960 -2.990 -12.336 1.00 0.00 O ATOM 0 H GLU A 102 5.800 -3.042 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 102 3.803 -4.031 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.014 -4.932 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.871 -3.262 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.748 -2.567 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.458 -4.169 -10.045 1.00 0.00 H new ATOM 1436 N CYS A 103 3.954 -6.454 -6.569 1.00 0.00 N ATOM 1437 CA CYS A 103 4.071 -7.879 -6.316 1.00 0.00 C ATOM 1438 C CYS A 103 3.679 -8.628 -7.591 1.00 0.00 C ATOM 1439 O CYS A 103 3.623 -8.038 -8.669 1.00 0.00 O ATOM 1440 CB CYS A 103 3.224 -8.311 -5.117 1.00 0.00 C ATOM 1441 SG CYS A 103 3.584 -7.418 -3.560 1.00 0.00 S ATOM 0 H CYS A 103 3.341 -5.955 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 103 5.102 -8.121 -6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.172 -8.171 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.373 -9.378 -4.950 1.00 0.00 H new ATOM 0 HG CYS A 103 2.766 -7.817 -2.632 1.00 0.00 H new ATOM 1446 N THR A 104 3.418 -9.916 -7.426 1.00 0.00 N ATOM 1447 CA THR A 104 3.034 -10.752 -8.550 1.00 0.00 C ATOM 1448 C THR A 104 1.553 -11.126 -8.456 1.00 0.00 C ATOM 1449 O THR A 104 1.126 -12.133 -9.019 1.00 0.00 O ATOM 1450 CB THR A 104 3.966 -11.965 -8.580 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.676 -12.655 -7.368 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.439 -11.574 -8.442 1.00 0.00 C ATOM 0 H THR A 104 3.465 -10.401 -6.530 1.00 0.00 H new ATOM 0 HA THR A 104 3.143 -10.218 -9.494 1.00 0.00 H new ATOM 0 HB THR A 104 3.821 -12.512 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.108 -12.195 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.058 -12.471 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.719 -10.915 -9.264 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.591 -11.057 -7.494 1.00 0.00 H new