USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 848 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 33 THR OG1 : rot 180:sc= -0.017 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -122:sc= 1.82 USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0867 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00677 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.116 K(o=0.12,f=-2.6!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -170:sc= -0.335 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0204 X(o=0.02,f=-0.033) USER MOD Single : A 37 GLN : amide:sc= -0.0868 K(o=-0.087,f=-0.67) USER MOD Single : A 40 THR OG1 : rot -141:sc= 0.12 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 62:sc= 1.16 USER MOD Single : A 56 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.61) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0738 K(o=-0.074,f=-1.7) USER MOD Single : A 61 SER OG : rot -2:sc= 0.407 USER MOD Single : A 63 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.343 K(o=-0.34,f=-4.8!) USER MOD Single : A 68 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.028) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -140:sc= 0.461 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.0698 K(o=0.07,f=-3) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 90:sc= 0.286 USER MOD Single : A 88 MET CE :methyl -134:sc= -0.221 (180deg=-1.66) USER MOD Single : A 93 ASN : amide:sc= -0.214 K(o=-0.21,f=-11!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 98 SER OG : rot 85:sc= 2.15 USER MOD Single : A 101 SER OG : rot 160:sc= 0.87 USER MOD Single : A 103 MET CE :methyl -168:sc= -4.34 (180deg=-4.83) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -154:sc= 1.72 USER MOD Single : A 110 GLN : amide:sc= 0.985 K(o=0.98,f=-0.36) USER MOD Single : A 112 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.034 19.837 0.967 1.00 0.00 N ATOM 2 CA GLY A 1 -10.806 19.808 1.768 1.00 0.00 C ATOM 3 C GLY A 1 -10.087 18.482 1.593 1.00 0.00 C ATOM 4 O GLY A 1 -10.706 17.477 1.228 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.791 20.300 1.509 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.863 20.367 0.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.320 18.864 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.150 20.626 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.047 19.961 2.820 1.00 0.00 H new ATOM 8 N SER A 2 -8.780 18.469 1.849 1.00 0.00 N ATOM 9 CA SER A 2 -7.934 17.290 1.852 1.00 0.00 C ATOM 10 C SER A 2 -6.710 17.598 2.717 1.00 0.00 C ATOM 11 O SER A 2 -5.861 18.411 2.337 1.00 0.00 O ATOM 12 CB SER A 2 -7.550 16.936 0.410 1.00 0.00 C ATOM 13 OG SER A 2 -6.728 15.782 0.340 1.00 0.00 O ATOM 0 H SER A 2 -8.265 19.321 2.069 1.00 0.00 H new ATOM 0 HA SER A 2 -8.450 16.425 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.455 16.771 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.028 17.779 -0.042 1.00 0.00 H new ATOM 0 HG SER A 2 -6.509 15.592 -0.596 1.00 0.00 H new ATOM 19 N SER A 3 -6.614 16.945 3.874 1.00 0.00 N ATOM 20 CA SER A 3 -5.363 16.736 4.589 1.00 0.00 C ATOM 21 C SER A 3 -5.521 15.527 5.516 1.00 0.00 C ATOM 22 O SER A 3 -6.634 15.019 5.712 1.00 0.00 O ATOM 23 CB SER A 3 -4.947 18.003 5.350 1.00 0.00 C ATOM 24 OG SER A 3 -5.970 18.488 6.197 1.00 0.00 O ATOM 0 H SER A 3 -7.422 16.540 4.347 1.00 0.00 H new ATOM 0 HA SER A 3 -4.561 16.528 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.058 17.790 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.674 18.779 4.635 1.00 0.00 H new ATOM 0 HG SER A 3 -5.657 19.293 6.660 1.00 0.00 H new ATOM 30 N GLY A 4 -4.417 15.062 6.096 1.00 0.00 N ATOM 31 CA GLY A 4 -4.370 13.994 7.077 1.00 0.00 C ATOM 32 C GLY A 4 -3.564 14.442 8.288 1.00 0.00 C ATOM 33 O GLY A 4 -3.349 15.641 8.503 1.00 0.00 O ATOM 0 H GLY A 4 -3.494 15.439 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.381 13.723 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.920 13.104 6.638 1.00 0.00 H new ATOM 37 N SER A 5 -3.133 13.483 9.106 1.00 0.00 N ATOM 38 CA SER A 5 -2.059 13.728 10.058 1.00 0.00 C ATOM 39 C SER A 5 -0.765 14.081 9.312 1.00 0.00 C ATOM 40 O SER A 5 -0.637 13.880 8.101 1.00 0.00 O ATOM 41 CB SER A 5 -1.848 12.482 10.931 1.00 0.00 C ATOM 42 OG SER A 5 -2.811 12.428 11.961 1.00 0.00 O ATOM 0 H SER A 5 -3.510 12.536 9.127 1.00 0.00 H new ATOM 0 HA SER A 5 -2.331 14.567 10.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.915 11.585 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.847 12.499 11.362 1.00 0.00 H new ATOM 0 HG SER A 5 -2.663 11.627 12.506 1.00 0.00 H new ATOM 48 N SER A 6 0.222 14.548 10.071 1.00 0.00 N ATOM 49 CA SER A 6 1.633 14.414 9.745 1.00 0.00 C ATOM 50 C SER A 6 1.966 12.921 9.574 1.00 0.00 C ATOM 51 O SER A 6 1.177 12.052 9.972 1.00 0.00 O ATOM 52 CB SER A 6 2.448 15.027 10.893 1.00 0.00 C ATOM 53 OG SER A 6 1.991 16.336 11.213 1.00 0.00 O ATOM 0 H SER A 6 0.056 15.041 10.949 1.00 0.00 H new ATOM 0 HA SER A 6 1.874 14.931 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.375 14.389 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.501 15.066 10.614 1.00 0.00 H new ATOM 0 HG SER A 6 2.528 16.699 11.948 1.00 0.00 H new ATOM 59 N GLY A 7 3.132 12.602 9.019 1.00 0.00 N ATOM 60 CA GLY A 7 3.523 11.216 8.818 1.00 0.00 C ATOM 61 C GLY A 7 4.585 11.050 7.750 1.00 0.00 C ATOM 62 O GLY A 7 4.521 10.072 7.001 1.00 0.00 O ATOM 0 H GLY A 7 3.819 13.286 8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.894 10.809 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.644 10.632 8.543 1.00 0.00 H new ATOM 66 N LYS A 8 5.544 11.971 7.649 1.00 0.00 N ATOM 67 CA LYS A 8 6.654 11.881 6.712 1.00 0.00 C ATOM 68 C LYS A 8 7.918 11.557 7.496 1.00 0.00 C ATOM 69 O LYS A 8 8.199 12.191 8.516 1.00 0.00 O ATOM 70 CB LYS A 8 6.809 13.222 5.980 1.00 0.00 C ATOM 71 CG LYS A 8 7.675 13.095 4.715 1.00 0.00 C ATOM 72 CD LYS A 8 8.343 14.426 4.359 1.00 0.00 C ATOM 73 CE LYS A 8 8.793 14.437 2.895 1.00 0.00 C ATOM 74 NZ LYS A 8 9.887 15.402 2.674 1.00 0.00 N ATOM 0 H LYS A 8 5.568 12.811 8.226 1.00 0.00 H new ATOM 0 HA LYS A 8 6.472 11.100 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.824 13.602 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.257 13.952 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.439 12.333 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.057 12.762 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.647 15.246 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.202 14.592 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.123 13.439 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.948 14.690 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.168 15.385 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.563 16.358 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.702 15.145 3.267 1.00 0.00 H new ATOM 88 N ASN A 9 8.711 10.621 7.001 1.00 0.00 N ATOM 89 CA ASN A 9 10.157 10.564 7.168 1.00 0.00 C ATOM 90 C ASN A 9 10.700 10.074 5.816 1.00 0.00 C ATOM 91 O ASN A 9 9.954 10.072 4.833 1.00 0.00 O ATOM 92 CB ASN A 9 10.526 9.662 8.360 1.00 0.00 C ATOM 93 CG ASN A 9 11.918 9.984 8.892 1.00 0.00 C ATOM 94 OD1 ASN A 9 12.925 9.516 8.374 1.00 0.00 O ATOM 95 ND2 ASN A 9 12.016 10.813 9.915 1.00 0.00 N ATOM 0 H ASN A 9 8.350 9.845 6.447 1.00 0.00 H new ATOM 0 HA ASN A 9 10.602 11.528 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.792 9.790 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.485 8.617 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.934 11.068 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.173 11.199 10.341 1.00 0.00 H new ATOM 102 N TYR A 10 11.965 9.673 5.720 1.00 0.00 N ATOM 103 CA TYR A 10 12.387 8.719 4.698 1.00 0.00 C ATOM 104 C TYR A 10 12.120 7.306 5.228 1.00 0.00 C ATOM 105 O TYR A 10 11.770 7.127 6.398 1.00 0.00 O ATOM 106 CB TYR A 10 13.865 8.941 4.347 1.00 0.00 C ATOM 107 CG TYR A 10 14.098 10.234 3.594 1.00 0.00 C ATOM 108 CD1 TYR A 10 13.990 10.253 2.192 1.00 0.00 C ATOM 109 CD2 TYR A 10 14.373 11.424 4.290 1.00 0.00 C ATOM 110 CE1 TYR A 10 14.128 11.453 1.479 1.00 0.00 C ATOM 111 CE2 TYR A 10 14.531 12.628 3.584 1.00 0.00 C ATOM 112 CZ TYR A 10 14.393 12.650 2.176 1.00 0.00 C ATOM 113 OH TYR A 10 14.510 13.831 1.510 1.00 0.00 O ATOM 0 H TYR A 10 12.713 9.992 6.335 1.00 0.00 H new ATOM 0 HA TYR A 10 11.823 8.859 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 10 14.455 8.947 5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 10 14.221 8.105 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.799 9.334 1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 10 14.463 11.413 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.032 11.460 0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 10 14.758 13.539 4.117 1.00 0.00 H new ATOM 0 HH TYR A 10 14.692 14.551 2.150 1.00 0.00 H new ATOM 123 N ASP A 11 12.291 6.298 4.377 1.00 0.00 N ATOM 124 CA ASP A 11 12.115 4.882 4.701 1.00 0.00 C ATOM 125 C ASP A 11 13.221 4.100 3.975 1.00 0.00 C ATOM 126 O ASP A 11 14.113 4.727 3.382 1.00 0.00 O ATOM 127 CB ASP A 11 10.691 4.435 4.310 1.00 0.00 C ATOM 128 CG ASP A 11 10.007 3.620 5.404 1.00 0.00 C ATOM 129 OD1 ASP A 11 9.950 4.097 6.557 1.00 0.00 O ATOM 130 OD2 ASP A 11 9.493 2.518 5.105 1.00 0.00 O ATOM 0 H ASP A 11 12.566 6.449 3.406 1.00 0.00 H new ATOM 0 HA ASP A 11 12.209 4.691 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.087 5.315 4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.739 3.841 3.397 1.00 0.00 H new ATOM 135 N LEU A 12 13.224 2.762 4.015 1.00 0.00 N ATOM 136 CA LEU A 12 14.270 1.937 3.403 1.00 0.00 C ATOM 137 C LEU A 12 13.770 1.081 2.243 1.00 0.00 C ATOM 138 O LEU A 12 14.545 0.731 1.354 1.00 0.00 O ATOM 139 CB LEU A 12 15.047 1.195 4.508 1.00 0.00 C ATOM 140 CG LEU A 12 14.857 -0.330 4.651 1.00 0.00 C ATOM 141 CD1 LEU A 12 15.857 -1.101 3.779 1.00 0.00 C ATOM 142 CD2 LEU A 12 15.106 -0.762 6.103 1.00 0.00 C ATOM 0 H LEU A 12 12.495 2.218 4.477 1.00 0.00 H new ATOM 0 HA LEU A 12 14.991 2.581 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 12 16.109 1.382 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.783 1.652 5.462 1.00 0.00 H new ATOM 0 HG LEU A 12 13.836 -0.553 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.697 -2.172 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.712 -0.830 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.873 -0.849 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.969 -1.840 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.125 -0.501 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.402 -0.252 6.760 1.00 0.00 H new ATOM 154 N SER A 13 12.475 0.799 2.213 1.00 0.00 N ATOM 155 CA SER A 13 11.830 -0.011 1.192 1.00 0.00 C ATOM 156 C SER A 13 12.087 0.584 -0.196 1.00 0.00 C ATOM 157 O SER A 13 12.135 1.805 -0.363 1.00 0.00 O ATOM 158 CB SER A 13 10.326 -0.081 1.484 1.00 0.00 C ATOM 159 OG SER A 13 9.834 -1.393 1.277 1.00 0.00 O ATOM 0 H SER A 13 11.825 1.139 2.922 1.00 0.00 H new ATOM 0 HA SER A 13 12.244 -1.019 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.136 0.225 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.793 0.618 0.840 1.00 0.00 H new ATOM 0 HG SER A 13 8.874 -1.416 1.470 1.00 0.00 H new ATOM 165 N ASP A 14 12.226 -0.269 -1.211 1.00 0.00 N ATOM 166 CA ASP A 14 12.304 0.219 -2.590 1.00 0.00 C ATOM 167 C ASP A 14 10.955 0.769 -3.055 1.00 0.00 C ATOM 168 O ASP A 14 10.899 1.642 -3.924 1.00 0.00 O ATOM 169 CB ASP A 14 12.767 -0.887 -3.542 1.00 0.00 C ATOM 170 CG ASP A 14 14.227 -1.264 -3.333 1.00 0.00 C ATOM 171 OD1 ASP A 14 15.066 -0.377 -3.051 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.552 -2.468 -3.439 1.00 0.00 O ATOM 0 H ASP A 14 12.286 -1.282 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 14 13.037 1.025 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.143 -1.769 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.624 -0.559 -4.572 1.00 0.00 H new ATOM 177 N LEU A 15 9.884 0.249 -2.464 1.00 0.00 N ATOM 178 CA LEU A 15 8.490 0.599 -2.632 1.00 0.00 C ATOM 179 C LEU A 15 8.177 1.940 -1.940 1.00 0.00 C ATOM 180 O LEU A 15 8.867 2.305 -0.990 1.00 0.00 O ATOM 181 CB LEU A 15 7.671 -0.525 -1.971 1.00 0.00 C ATOM 182 CG LEU A 15 7.861 -1.958 -2.500 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.989 -2.918 -1.688 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.457 -2.084 -3.969 1.00 0.00 C ATOM 0 H LEU A 15 9.990 -0.506 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 15 8.247 0.707 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.904 -0.527 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.615 -0.270 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 15 8.919 -2.202 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.122 -3.934 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.281 -2.875 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.942 -2.630 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.607 -3.111 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.406 -1.816 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.069 -1.414 -4.573 1.00 0.00 H new ATOM 196 N PRO A 16 7.111 2.642 -2.366 1.00 0.00 N ATOM 197 CA PRO A 16 6.579 3.829 -1.703 1.00 0.00 C ATOM 198 C PRO A 16 6.061 3.485 -0.304 1.00 0.00 C ATOM 199 O PRO A 16 5.810 2.316 0.004 1.00 0.00 O ATOM 200 CB PRO A 16 5.438 4.350 -2.595 1.00 0.00 C ATOM 201 CG PRO A 16 5.152 3.239 -3.600 1.00 0.00 C ATOM 202 CD PRO A 16 6.347 2.305 -3.546 1.00 0.00 C ATOM 0 HA PRO A 16 7.353 4.586 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.552 4.578 -2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.728 5.270 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.233 2.711 -3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.020 3.645 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.020 1.266 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.958 2.413 -4.442 1.00 0.00 H new ATOM 210 N GLY A 17 5.831 4.493 0.533 1.00 0.00 N ATOM 211 CA GLY A 17 5.156 4.341 1.807 1.00 0.00 C ATOM 212 C GLY A 17 3.635 4.302 1.615 1.00 0.00 C ATOM 213 O GLY A 17 3.117 4.789 0.600 1.00 0.00 O ATOM 0 H GLY A 17 6.116 5.453 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.489 3.424 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.423 5.167 2.466 1.00 0.00 H new ATOM 217 N PRO A 18 2.898 3.756 2.594 1.00 0.00 N ATOM 218 CA PRO A 18 1.456 3.592 2.504 1.00 0.00 C ATOM 219 C PRO A 18 0.739 4.949 2.502 1.00 0.00 C ATOM 220 O PRO A 18 1.236 5.905 3.101 1.00 0.00 O ATOM 221 CB PRO A 18 1.040 2.760 3.723 1.00 0.00 C ATOM 222 CG PRO A 18 2.213 2.895 4.696 1.00 0.00 C ATOM 223 CD PRO A 18 3.425 3.185 3.817 1.00 0.00 C ATOM 0 HA PRO A 18 1.180 3.097 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.115 3.134 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.866 1.718 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.042 3.700 5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.354 1.981 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.108 3.877 4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.987 2.274 3.613 1.00 0.00 H new ATOM 231 N PRO A 19 -0.456 5.034 1.892 1.00 0.00 N ATOM 232 CA PRO A 19 -1.323 6.195 2.036 1.00 0.00 C ATOM 233 C PRO A 19 -1.764 6.359 3.499 1.00 0.00 C ATOM 234 O PRO A 19 -1.782 5.386 4.264 1.00 0.00 O ATOM 235 CB PRO A 19 -2.497 5.956 1.080 1.00 0.00 C ATOM 236 CG PRO A 19 -2.481 4.455 0.777 1.00 0.00 C ATOM 237 CD PRO A 19 -1.073 3.983 1.100 1.00 0.00 C ATOM 0 HA PRO A 19 -0.819 7.128 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.441 6.254 1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.385 6.542 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.219 3.926 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.728 4.264 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.096 3.044 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.506 3.802 0.187 1.00 0.00 H new ATOM 245 N SER A 20 -2.136 7.578 3.900 1.00 0.00 N ATOM 246 CA SER A 20 -2.637 7.853 5.244 1.00 0.00 C ATOM 247 C SER A 20 -4.108 7.426 5.346 1.00 0.00 C ATOM 248 O SER A 20 -4.689 6.975 4.354 1.00 0.00 O ATOM 249 CB SER A 20 -2.431 9.340 5.543 1.00 0.00 C ATOM 250 OG SER A 20 -1.066 9.685 5.376 1.00 0.00 O ATOM 0 H SER A 20 -2.097 8.401 3.299 1.00 0.00 H new ATOM 0 HA SER A 20 -2.091 7.279 5.992 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.050 9.942 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.748 9.562 6.562 1.00 0.00 H new ATOM 0 HG SER A 20 -0.913 10.590 5.718 1.00 0.00 H new ATOM 256 N LYS A 21 -4.721 7.548 6.535 1.00 0.00 N ATOM 257 CA LYS A 21 -6.126 7.186 6.729 1.00 0.00 C ATOM 258 C LYS A 21 -6.977 7.964 5.720 1.00 0.00 C ATOM 259 O LYS A 21 -6.948 9.198 5.768 1.00 0.00 O ATOM 260 CB LYS A 21 -6.599 7.503 8.160 1.00 0.00 C ATOM 261 CG LYS A 21 -7.975 6.876 8.463 1.00 0.00 C ATOM 262 CD LYS A 21 -8.898 7.751 9.328 1.00 0.00 C ATOM 263 CE LYS A 21 -10.205 6.985 9.576 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.221 7.754 10.317 1.00 0.00 N ATOM 0 H LYS A 21 -4.260 7.896 7.376 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.235 6.112 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.865 7.132 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.655 8.583 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.478 6.661 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.822 5.922 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.414 7.991 10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.103 8.697 8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.623 6.681 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.980 6.073 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.073 7.171 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.842 8.023 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.466 8.612 9.782 1.00 0.00 H new ATOM 278 N PRO A 22 -7.734 7.309 4.827 1.00 0.00 N ATOM 279 CA PRO A 22 -8.728 8.023 4.055 1.00 0.00 C ATOM 280 C PRO A 22 -9.750 8.651 5.001 1.00 0.00 C ATOM 281 O PRO A 22 -10.136 8.046 6.002 1.00 0.00 O ATOM 282 CB PRO A 22 -9.340 7.012 3.086 1.00 0.00 C ATOM 283 CG PRO A 22 -8.821 5.634 3.506 1.00 0.00 C ATOM 284 CD PRO A 22 -7.800 5.873 4.614 1.00 0.00 C ATOM 0 HA PRO A 22 -8.304 8.847 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.429 7.045 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.053 7.237 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.637 5.004 3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.363 5.118 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.097 5.360 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.824 5.480 4.330 1.00 0.00 H new ATOM 292 N GLN A 23 -10.185 9.862 4.667 1.00 0.00 N ATOM 293 CA GLN A 23 -11.408 10.444 5.188 1.00 0.00 C ATOM 294 C GLN A 23 -12.555 9.849 4.402 1.00 0.00 C ATOM 295 O GLN A 23 -12.384 9.294 3.314 1.00 0.00 O ATOM 296 CB GLN A 23 -11.418 11.975 4.985 1.00 0.00 C ATOM 297 CG GLN A 23 -10.516 12.668 5.992 1.00 0.00 C ATOM 298 CD GLN A 23 -11.160 12.918 7.354 1.00 0.00 C ATOM 299 OE1 GLN A 23 -12.292 13.386 7.457 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.479 12.578 8.435 1.00 0.00 N ATOM 0 H GLN A 23 -9.688 10.472 4.018 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.490 10.236 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.088 12.213 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.436 12.351 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.620 12.064 6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.194 13.623 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.540 12.190 8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.893 12.704 9.359 1.00 0.00 H new ATOM 309 N VAL A 24 -13.744 10.153 4.880 1.00 0.00 N ATOM 310 CA VAL A 24 -14.996 10.035 4.136 1.00 0.00 C ATOM 311 C VAL A 24 -15.565 11.451 4.038 1.00 0.00 C ATOM 312 O VAL A 24 -15.461 12.225 4.991 1.00 0.00 O ATOM 313 CB VAL A 24 -15.913 9.008 4.829 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.338 9.065 4.266 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.353 7.582 4.651 1.00 0.00 C ATOM 0 H VAL A 24 -13.877 10.502 5.829 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.871 9.650 3.124 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.946 9.259 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.960 8.329 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.752 10.061 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.317 8.846 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.011 6.868 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.293 7.345 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.358 7.524 5.092 1.00 0.00 H new ATOM 325 N THR A 25 -16.080 11.847 2.874 1.00 0.00 N ATOM 326 CA THR A 25 -16.751 13.131 2.731 1.00 0.00 C ATOM 327 C THR A 25 -18.205 12.822 2.353 1.00 0.00 C ATOM 328 O THR A 25 -18.988 12.460 3.236 1.00 0.00 O ATOM 329 CB THR A 25 -15.948 14.124 1.848 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.812 13.702 0.506 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.527 14.448 2.375 1.00 0.00 C ATOM 0 H THR A 25 -16.043 11.294 2.018 1.00 0.00 H new ATOM 0 HA THR A 25 -16.790 13.704 3.657 1.00 0.00 H new ATOM 0 HB THR A 25 -16.560 15.024 1.898 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.300 14.369 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.039 15.148 1.697 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.600 14.894 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.942 13.530 2.432 1.00 0.00 H new ATOM 339 N ASP A 26 -18.546 12.889 1.069 1.00 0.00 N ATOM 340 CA ASP A 26 -19.875 12.626 0.541 1.00 0.00 C ATOM 341 C ASP A 26 -20.149 11.134 0.607 1.00 0.00 C ATOM 342 O ASP A 26 -19.266 10.333 0.294 1.00 0.00 O ATOM 343 CB ASP A 26 -19.942 13.071 -0.925 1.00 0.00 C ATOM 344 CG ASP A 26 -21.312 13.590 -1.363 1.00 0.00 C ATOM 345 OD1 ASP A 26 -22.370 13.217 -0.806 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.333 14.412 -2.306 1.00 0.00 O ATOM 0 H ASP A 26 -17.875 13.138 0.342 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.613 13.173 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.201 13.853 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.665 12.230 -1.561 1.00 0.00 H new ATOM 351 N VAL A 27 -21.379 10.750 0.910 1.00 0.00 N ATOM 352 CA VAL A 27 -21.818 9.366 0.872 1.00 0.00 C ATOM 353 C VAL A 27 -23.184 9.307 0.213 1.00 0.00 C ATOM 354 O VAL A 27 -24.027 10.186 0.402 1.00 0.00 O ATOM 355 CB VAL A 27 -21.776 8.746 2.281 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.809 9.360 3.242 1.00 0.00 C ATOM 357 CG2 VAL A 27 -21.977 7.228 2.198 1.00 0.00 C ATOM 0 H VAL A 27 -22.111 11.402 1.193 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.141 8.759 0.271 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.791 8.970 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.728 8.880 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.619 10.428 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.812 9.207 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -21.945 6.801 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -22.944 7.013 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.185 6.789 1.592 1.00 0.00 H new ATOM 367 N THR A 28 -23.423 8.261 -0.559 1.00 0.00 N ATOM 368 CA THR A 28 -24.683 8.018 -1.222 1.00 0.00 C ATOM 369 C THR A 28 -25.159 6.637 -0.782 1.00 0.00 C ATOM 370 O THR A 28 -24.551 5.949 0.046 1.00 0.00 O ATOM 371 CB THR A 28 -24.566 8.224 -2.755 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.289 7.025 -3.445 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.546 9.285 -3.170 1.00 0.00 C ATOM 0 H THR A 28 -22.725 7.541 -0.744 1.00 0.00 H new ATOM 0 HA THR A 28 -25.445 8.742 -0.933 1.00 0.00 H new ATOM 0 HB THR A 28 -25.554 8.586 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.457 7.125 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.527 9.366 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 28 -23.825 10.247 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.557 9.000 -2.810 1.00 0.00 H new ATOM 381 N LYS A 29 -26.285 6.216 -1.328 1.00 0.00 N ATOM 382 CA LYS A 29 -26.805 4.876 -1.113 1.00 0.00 C ATOM 383 C LYS A 29 -26.023 3.821 -1.900 1.00 0.00 C ATOM 384 O LYS A 29 -26.182 2.634 -1.631 1.00 0.00 O ATOM 385 CB LYS A 29 -28.291 4.917 -1.463 1.00 0.00 C ATOM 386 CG LYS A 29 -28.535 4.856 -2.972 1.00 0.00 C ATOM 387 CD LYS A 29 -29.774 5.632 -3.390 1.00 0.00 C ATOM 388 CE LYS A 29 -29.976 5.344 -4.871 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.395 6.558 -5.594 1.00 0.00 N ATOM 0 H LYS A 29 -26.867 6.794 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.683 4.573 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.798 4.081 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.731 5.830 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.666 5.256 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.641 3.815 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.643 5.320 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.642 6.700 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.050 4.963 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -30.729 4.565 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.526 6.334 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.291 6.906 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.664 7.291 -5.494 1.00 0.00 H new ATOM 403 N ASN A 30 -25.230 4.200 -2.910 1.00 0.00 N ATOM 404 CA ASN A 30 -24.530 3.264 -3.801 1.00 0.00 C ATOM 405 C ASN A 30 -23.075 3.700 -4.056 1.00 0.00 C ATOM 406 O ASN A 30 -22.378 3.054 -4.840 1.00 0.00 O ATOM 407 CB ASN A 30 -25.246 3.092 -5.167 1.00 0.00 C ATOM 408 CG ASN A 30 -26.630 2.443 -5.250 1.00 0.00 C ATOM 409 OD1 ASN A 30 -27.222 2.400 -6.328 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.221 1.948 -4.182 1.00 0.00 N ATOM 0 H ASN A 30 -25.054 5.179 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.538 2.306 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -25.330 4.084 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.581 2.511 -5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.152 1.539 -4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -26.747 1.974 -3.279 1.00 0.00 H new ATOM 417 N SER A 31 -22.583 4.781 -3.447 1.00 0.00 N ATOM 418 CA SER A 31 -21.224 5.271 -3.638 1.00 0.00 C ATOM 419 C SER A 31 -20.762 6.043 -2.400 1.00 0.00 C ATOM 420 O SER A 31 -21.588 6.390 -1.555 1.00 0.00 O ATOM 421 CB SER A 31 -21.149 6.117 -4.928 1.00 0.00 C ATOM 422 OG SER A 31 -22.094 7.158 -5.001 1.00 0.00 O ATOM 0 H SER A 31 -23.130 5.347 -2.798 1.00 0.00 H new ATOM 0 HA SER A 31 -20.541 4.431 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.150 6.545 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.285 5.459 -5.787 1.00 0.00 H new ATOM 0 HG SER A 31 -21.980 7.645 -5.844 1.00 0.00 H new ATOM 428 N VAL A 32 -19.465 6.331 -2.287 1.00 0.00 N ATOM 429 CA VAL A 32 -18.890 7.146 -1.220 1.00 0.00 C ATOM 430 C VAL A 32 -17.633 7.828 -1.753 1.00 0.00 C ATOM 431 O VAL A 32 -16.937 7.263 -2.599 1.00 0.00 O ATOM 432 CB VAL A 32 -18.659 6.289 0.047 1.00 0.00 C ATOM 433 CG1 VAL A 32 -17.894 4.983 -0.157 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.936 7.047 1.159 1.00 0.00 C ATOM 0 H VAL A 32 -18.769 5.995 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.577 7.934 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.684 6.047 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.793 4.468 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.438 4.348 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -16.904 5.200 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.804 6.392 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.961 7.376 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.527 7.915 1.451 1.00 0.00 H new ATOM 444 N THR A 33 -17.364 9.048 -1.293 1.00 0.00 N ATOM 445 CA THR A 33 -16.253 9.881 -1.712 1.00 0.00 C ATOM 446 C THR A 33 -15.220 9.866 -0.581 1.00 0.00 C ATOM 447 O THR A 33 -15.543 10.114 0.587 1.00 0.00 O ATOM 448 CB THR A 33 -16.801 11.270 -2.078 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.894 11.097 -2.967 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.783 12.132 -2.812 1.00 0.00 C ATOM 0 H THR A 33 -17.945 9.498 -0.586 1.00 0.00 H new ATOM 0 HA THR A 33 -15.745 9.519 -2.606 1.00 0.00 H new ATOM 0 HB THR A 33 -17.074 11.762 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.259 11.973 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.226 13.100 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.906 12.276 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.487 11.637 -3.737 1.00 0.00 H new ATOM 458 N LEU A 34 -13.994 9.480 -0.931 1.00 0.00 N ATOM 459 CA LEU A 34 -12.883 9.202 -0.038 1.00 0.00 C ATOM 460 C LEU A 34 -11.672 10.058 -0.396 1.00 0.00 C ATOM 461 O LEU A 34 -11.298 10.095 -1.567 1.00 0.00 O ATOM 462 CB LEU A 34 -12.506 7.723 -0.180 1.00 0.00 C ATOM 463 CG LEU A 34 -13.580 6.745 0.313 1.00 0.00 C ATOM 464 CD1 LEU A 34 -13.302 5.305 -0.107 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.625 6.766 1.830 1.00 0.00 C ATOM 0 H LEU A 34 -13.740 9.346 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.181 9.432 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.295 7.513 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.585 7.541 0.373 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.521 7.068 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.094 4.657 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.269 5.243 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.345 4.984 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.388 6.071 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.654 6.470 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.865 7.772 2.173 1.00 0.00 H new ATOM 477 N SER A 35 -11.049 10.705 0.592 1.00 0.00 N ATOM 478 CA SER A 35 -9.944 11.643 0.447 1.00 0.00 C ATOM 479 C SER A 35 -8.836 11.155 1.366 1.00 0.00 C ATOM 480 O SER A 35 -8.965 11.233 2.588 1.00 0.00 O ATOM 481 CB SER A 35 -10.409 13.093 0.728 1.00 0.00 C ATOM 482 OG SER A 35 -9.591 13.851 1.603 1.00 0.00 O ATOM 0 H SER A 35 -11.321 10.578 1.567 1.00 0.00 H new ATOM 0 HA SER A 35 -9.564 11.676 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.477 13.622 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.415 13.056 1.145 1.00 0.00 H new ATOM 0 HG SER A 35 -9.971 14.748 1.711 1.00 0.00 H new ATOM 488 N TRP A 36 -7.758 10.630 0.799 1.00 0.00 N ATOM 489 CA TRP A 36 -6.584 10.177 1.545 1.00 0.00 C ATOM 490 C TRP A 36 -5.433 11.132 1.265 1.00 0.00 C ATOM 491 O TRP A 36 -5.619 12.111 0.530 1.00 0.00 O ATOM 492 CB TRP A 36 -6.264 8.699 1.309 1.00 0.00 C ATOM 493 CG TRP A 36 -6.083 8.279 -0.114 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.902 8.053 -0.729 1.00 0.00 C ATOM 495 CD2 TRP A 36 -7.115 8.002 -1.107 1.00 0.00 C ATOM 496 NE1 TRP A 36 -5.122 7.786 -2.066 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.471 7.699 -2.344 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.528 7.960 -1.083 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -7.192 7.386 -3.503 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.259 7.555 -2.211 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.592 7.274 -3.421 1.00 0.00 C ATOM 0 H TRP A 36 -7.670 10.503 -0.209 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.790 10.213 2.615 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.354 8.455 1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.066 8.102 1.742 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.935 8.077 -0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.383 7.668 -2.759 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -9.053 8.244 -0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.682 7.233 -4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.333 7.459 -2.152 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -9.159 6.971 -4.289 1.00 0.00 H new ATOM 512 N GLN A 37 -4.313 10.963 1.969 1.00 0.00 N ATOM 513 CA GLN A 37 -3.083 11.658 1.621 1.00 0.00 C ATOM 514 C GLN A 37 -2.014 10.623 1.211 1.00 0.00 C ATOM 515 O GLN A 37 -2.053 9.492 1.712 1.00 0.00 O ATOM 516 CB GLN A 37 -2.727 12.692 2.703 1.00 0.00 C ATOM 517 CG GLN A 37 -1.614 12.303 3.667 1.00 0.00 C ATOM 518 CD GLN A 37 -0.281 12.998 3.421 1.00 0.00 C ATOM 519 OE1 GLN A 37 -0.203 14.172 3.055 1.00 0.00 O ATOM 520 NE2 GLN A 37 0.810 12.313 3.696 1.00 0.00 N ATOM 0 H GLN A 37 -4.237 10.351 2.781 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.186 12.282 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.442 13.621 2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.625 12.902 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.940 12.523 4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.462 11.225 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.739 11.341 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.725 12.754 3.606 1.00 0.00 H new ATOM 529 N PRO A 38 -1.099 10.986 0.298 1.00 0.00 N ATOM 530 CA PRO A 38 -0.073 10.102 -0.240 1.00 0.00 C ATOM 531 C PRO A 38 1.082 9.945 0.745 1.00 0.00 C ATOM 532 O PRO A 38 1.594 10.943 1.256 1.00 0.00 O ATOM 533 CB PRO A 38 0.403 10.775 -1.532 1.00 0.00 C ATOM 534 CG PRO A 38 0.012 12.247 -1.397 1.00 0.00 C ATOM 535 CD PRO A 38 -1.113 12.271 -0.378 1.00 0.00 C ATOM 0 HA PRO A 38 -0.459 9.099 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.480 10.665 -1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.067 10.323 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.857 12.849 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.314 12.657 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.971 13.083 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.073 12.440 -0.867 1.00 0.00 H new ATOM 543 N GLY A 39 1.556 8.717 0.963 1.00 0.00 N ATOM 544 CA GLY A 39 2.721 8.454 1.780 1.00 0.00 C ATOM 545 C GLY A 39 3.995 8.909 1.083 1.00 0.00 C ATOM 546 O GLY A 39 3.995 9.426 -0.040 1.00 0.00 O ATOM 0 H GLY A 39 1.132 7.877 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.622 8.969 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.783 7.388 1.997 1.00 0.00 H new ATOM 550 N THR A 40 5.102 8.689 1.769 1.00 0.00 N ATOM 551 CA THR A 40 6.457 9.000 1.351 1.00 0.00 C ATOM 552 C THR A 40 6.835 8.229 0.060 1.00 0.00 C ATOM 553 O THR A 40 6.239 7.186 -0.228 1.00 0.00 O ATOM 554 CB THR A 40 7.297 8.651 2.589 1.00 0.00 C ATOM 555 OG1 THR A 40 7.071 9.671 3.546 1.00 0.00 O ATOM 556 CG2 THR A 40 8.794 8.480 2.400 1.00 0.00 C ATOM 0 H THR A 40 5.076 8.260 2.694 1.00 0.00 H new ATOM 0 HA THR A 40 6.615 10.039 1.062 1.00 0.00 H new ATOM 0 HB THR A 40 6.964 7.658 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.909 9.875 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.256 8.236 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.981 7.674 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.221 9.407 2.017 1.00 0.00 H new ATOM 564 N PRO A 41 7.777 8.733 -0.764 1.00 0.00 N ATOM 565 CA PRO A 41 8.389 8.011 -1.886 1.00 0.00 C ATOM 566 C PRO A 41 9.041 6.674 -1.509 1.00 0.00 C ATOM 567 O PRO A 41 8.992 6.243 -0.358 1.00 0.00 O ATOM 568 CB PRO A 41 9.451 8.958 -2.451 1.00 0.00 C ATOM 569 CG PRO A 41 8.933 10.336 -2.091 1.00 0.00 C ATOM 570 CD PRO A 41 8.255 10.106 -0.744 1.00 0.00 C ATOM 0 HA PRO A 41 7.609 7.745 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.430 8.771 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.559 8.840 -3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.741 11.064 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.232 10.711 -2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.955 10.263 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.431 10.804 -0.598 1.00 0.00 H new ATOM 578 N GLY A 42 9.704 6.042 -2.478 1.00 0.00 N ATOM 579 CA GLY A 42 10.545 4.879 -2.311 1.00 0.00 C ATOM 580 C GLY A 42 11.848 5.150 -3.046 1.00 0.00 C ATOM 581 O GLY A 42 12.245 6.301 -3.273 1.00 0.00 O ATOM 0 H GLY A 42 9.660 6.352 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.733 4.690 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.056 3.991 -2.712 1.00 0.00 H new ATOM 585 N THR A 43 12.504 4.074 -3.445 1.00 0.00 N ATOM 586 CA THR A 43 13.520 4.122 -4.489 1.00 0.00 C ATOM 587 C THR A 43 12.795 4.241 -5.828 1.00 0.00 C ATOM 588 O THR A 43 13.149 5.108 -6.625 1.00 0.00 O ATOM 589 CB THR A 43 14.493 2.922 -4.383 1.00 0.00 C ATOM 590 OG1 THR A 43 15.811 3.394 -4.161 1.00 0.00 O ATOM 591 CG2 THR A 43 14.507 1.937 -5.556 1.00 0.00 C ATOM 0 H THR A 43 12.350 3.143 -3.057 1.00 0.00 H new ATOM 0 HA THR A 43 14.168 4.992 -4.379 1.00 0.00 H new ATOM 0 HB THR A 43 14.108 2.345 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.424 2.632 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.229 1.145 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.515 1.502 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.787 2.463 -6.469 1.00 0.00 H new ATOM 599 N LEU A 44 11.770 3.415 -6.077 1.00 0.00 N ATOM 600 CA LEU A 44 11.047 3.431 -7.336 1.00 0.00 C ATOM 601 C LEU A 44 9.705 4.125 -7.170 1.00 0.00 C ATOM 602 O LEU A 44 9.041 3.939 -6.146 1.00 0.00 O ATOM 603 CB LEU A 44 10.806 2.026 -7.884 1.00 0.00 C ATOM 604 CG LEU A 44 12.005 1.317 -8.523 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.436 0.150 -9.338 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.842 2.228 -9.429 1.00 0.00 C ATOM 0 H LEU A 44 11.427 2.724 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 44 11.670 3.976 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.438 1.402 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.010 2.083 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 44 12.683 0.987 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.252 -0.391 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.892 -0.524 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.759 0.535 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.673 1.661 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.219 2.608 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.230 3.064 -8.846 1.00 0.00 H new ATOM 618 N PRO A 45 9.283 4.859 -8.206 1.00 0.00 N ATOM 619 CA PRO A 45 8.209 5.818 -8.114 1.00 0.00 C ATOM 620 C PRO A 45 6.864 5.125 -8.207 1.00 0.00 C ATOM 621 O PRO A 45 6.704 4.114 -8.890 1.00 0.00 O ATOM 622 CB PRO A 45 8.432 6.761 -9.298 1.00 0.00 C ATOM 623 CG PRO A 45 8.997 5.818 -10.360 1.00 0.00 C ATOM 624 CD PRO A 45 9.849 4.858 -9.544 1.00 0.00 C ATOM 0 HA PRO A 45 8.206 6.352 -7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.505 7.232 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.128 7.563 -9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.206 5.297 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.590 6.354 -11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.830 3.857 -9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.891 5.178 -9.527 1.00 0.00 H new ATOM 632 N ALA A 46 5.875 5.740 -7.581 1.00 0.00 N ATOM 633 CA ALA A 46 4.478 5.407 -7.723 1.00 0.00 C ATOM 634 C ALA A 46 4.077 5.288 -9.191 1.00 0.00 C ATOM 635 O ALA A 46 4.193 6.234 -9.972 1.00 0.00 O ATOM 636 CB ALA A 46 3.690 6.513 -7.049 1.00 0.00 C ATOM 0 H ALA A 46 6.035 6.514 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 46 4.275 4.440 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.624 6.303 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.968 6.569 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.911 7.464 -7.533 1.00 0.00 H new ATOM 642 N SER A 47 3.562 4.115 -9.525 1.00 0.00 N ATOM 643 CA SER A 47 2.784 3.822 -10.704 1.00 0.00 C ATOM 644 C SER A 47 1.359 4.359 -10.492 1.00 0.00 C ATOM 645 O SER A 47 0.920 5.218 -11.257 1.00 0.00 O ATOM 646 CB SER A 47 2.795 2.300 -10.881 1.00 0.00 C ATOM 647 OG SER A 47 4.026 1.766 -11.330 1.00 0.00 O ATOM 0 H SER A 47 3.689 3.292 -8.936 1.00 0.00 H new ATOM 0 HA SER A 47 3.190 4.292 -11.600 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.539 1.835 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.015 2.025 -11.591 1.00 0.00 H new ATOM 0 HG SER A 47 3.949 0.793 -11.415 1.00 0.00 H new ATOM 653 N ALA A 48 0.621 3.860 -9.487 1.00 0.00 N ATOM 654 CA ALA A 48 -0.803 4.151 -9.289 1.00 0.00 C ATOM 655 C ALA A 48 -1.201 3.874 -7.832 1.00 0.00 C ATOM 656 O ALA A 48 -0.344 3.821 -6.945 1.00 0.00 O ATOM 657 CB ALA A 48 -1.621 3.314 -10.285 1.00 0.00 C ATOM 0 H ALA A 48 1.006 3.234 -8.780 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.008 5.205 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.682 3.521 -10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.329 3.572 -11.303 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.433 2.255 -10.111 1.00 0.00 H new ATOM 663 N TYR A 49 -2.494 3.671 -7.589 1.00 0.00 N ATOM 664 CA TYR A 49 -3.072 3.117 -6.376 1.00 0.00 C ATOM 665 C TYR A 49 -4.092 2.037 -6.751 1.00 0.00 C ATOM 666 O TYR A 49 -4.493 1.903 -7.909 1.00 0.00 O ATOM 667 CB TYR A 49 -3.743 4.216 -5.534 1.00 0.00 C ATOM 668 CG TYR A 49 -2.801 5.142 -4.796 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.326 6.311 -5.408 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.433 4.853 -3.471 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.443 7.155 -4.713 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.538 5.675 -2.775 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.023 6.821 -3.405 1.00 0.00 C ATOM 674 OH TYR A 49 -0.176 7.641 -2.727 1.00 0.00 O ATOM 0 H TYR A 49 -3.207 3.905 -8.280 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.277 2.676 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.374 4.816 -6.189 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.400 3.740 -4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.638 6.562 -6.411 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.847 3.984 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.084 8.061 -5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.246 5.431 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 49 0.009 7.261 -1.843 1.00 0.00 H new ATOM 684 N ILE A 50 -4.527 1.284 -5.751 1.00 0.00 N ATOM 685 CA ILE A 50 -5.644 0.352 -5.732 1.00 0.00 C ATOM 686 C ILE A 50 -6.572 0.791 -4.592 1.00 0.00 C ATOM 687 O ILE A 50 -6.130 1.472 -3.660 1.00 0.00 O ATOM 688 CB ILE A 50 -5.076 -1.089 -5.578 1.00 0.00 C ATOM 689 CG1 ILE A 50 -4.937 -1.709 -6.983 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.891 -2.004 -4.651 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.233 -3.067 -6.974 1.00 0.00 C ATOM 0 H ILE A 50 -4.060 1.314 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.229 0.351 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.106 -1.002 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.928 -1.823 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.382 -1.023 -7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.421 -2.986 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.926 -1.571 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.905 -2.105 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.167 -3.449 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.230 -2.954 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.800 -3.767 -6.360 1.00 0.00 H new ATOM 703 N ILE A 51 -7.836 0.364 -4.640 1.00 0.00 N ATOM 704 CA ILE A 51 -8.795 0.431 -3.554 1.00 0.00 C ATOM 705 C ILE A 51 -9.406 -0.956 -3.428 1.00 0.00 C ATOM 706 O ILE A 51 -9.904 -1.499 -4.416 1.00 0.00 O ATOM 707 CB ILE A 51 -9.877 1.494 -3.831 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.222 2.884 -3.894 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.978 1.453 -2.764 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.169 4.022 -4.269 1.00 0.00 C ATOM 0 H ILE A 51 -8.230 -0.057 -5.482 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.309 0.727 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.348 1.278 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.777 3.105 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.408 2.854 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.727 2.213 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.448 0.470 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.542 1.647 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.618 4.962 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.595 3.831 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.970 4.086 -3.533 1.00 0.00 H new ATOM 722 N GLU A 52 -9.425 -1.490 -2.214 1.00 0.00 N ATOM 723 CA GLU A 52 -10.249 -2.624 -1.841 1.00 0.00 C ATOM 724 C GLU A 52 -11.368 -2.149 -0.921 1.00 0.00 C ATOM 725 O GLU A 52 -11.295 -1.046 -0.383 1.00 0.00 O ATOM 726 CB GLU A 52 -9.410 -3.708 -1.153 1.00 0.00 C ATOM 727 CG GLU A 52 -8.415 -4.368 -2.104 1.00 0.00 C ATOM 728 CD GLU A 52 -7.691 -5.558 -1.470 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.478 -5.572 -0.240 1.00 0.00 O ATOM 730 OE2 GLU A 52 -7.270 -6.479 -2.203 1.00 0.00 O ATOM 0 H GLU A 52 -8.854 -1.136 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.681 -3.062 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.870 -3.268 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.073 -4.469 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.941 -4.703 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.680 -3.629 -2.424 1.00 0.00 H new ATOM 737 N ALA A 53 -12.378 -2.990 -0.711 1.00 0.00 N ATOM 738 CA ALA A 53 -13.438 -2.826 0.268 1.00 0.00 C ATOM 739 C ALA A 53 -13.786 -4.202 0.829 1.00 0.00 C ATOM 740 O ALA A 53 -13.774 -5.199 0.098 1.00 0.00 O ATOM 741 CB ALA A 53 -14.676 -2.233 -0.418 1.00 0.00 C ATOM 0 H ALA A 53 -12.480 -3.849 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.115 -2.160 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.473 -2.109 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.424 -1.264 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.011 -2.905 -1.208 1.00 0.00 H new ATOM 747 N PHE A 54 -14.174 -4.236 2.097 1.00 0.00 N ATOM 748 CA PHE A 54 -14.763 -5.369 2.789 1.00 0.00 C ATOM 749 C PHE A 54 -16.033 -4.808 3.409 1.00 0.00 C ATOM 750 O PHE A 54 -15.935 -3.853 4.172 1.00 0.00 O ATOM 751 CB PHE A 54 -13.802 -5.935 3.845 1.00 0.00 C ATOM 752 CG PHE A 54 -14.445 -6.915 4.813 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.138 -6.427 5.935 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.359 -8.307 4.607 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.733 -7.308 6.848 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.947 -9.196 5.529 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.627 -8.695 6.654 1.00 0.00 C ATOM 0 H PHE A 54 -14.079 -3.422 2.705 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.973 -6.207 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.975 -6.432 3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.376 -5.108 4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.213 -5.362 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.842 -8.693 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.272 -6.921 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.876 -10.262 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.067 -9.376 7.368 1.00 0.00 H new ATOM 767 N SER A 55 -17.222 -5.316 3.077 1.00 0.00 N ATOM 768 CA SER A 55 -18.384 -4.970 3.888 1.00 0.00 C ATOM 769 C SER A 55 -18.328 -5.701 5.218 1.00 0.00 C ATOM 770 O SER A 55 -18.125 -5.073 6.256 1.00 0.00 O ATOM 771 CB SER A 55 -19.669 -5.266 3.136 1.00 0.00 C ATOM 772 OG SER A 55 -20.802 -4.970 3.914 1.00 0.00 O ATOM 0 H SER A 55 -17.400 -5.939 2.290 1.00 0.00 H new ATOM 0 HA SER A 55 -18.369 -3.900 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.696 -4.682 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.689 -6.317 2.848 1.00 0.00 H new ATOM 0 HG SER A 55 -20.811 -4.014 4.128 1.00 0.00 H new ATOM 778 N GLN A 56 -18.570 -7.011 5.132 1.00 0.00 N ATOM 779 CA GLN A 56 -19.034 -7.964 6.104 1.00 0.00 C ATOM 780 C GLN A 56 -19.964 -8.925 5.348 1.00 0.00 C ATOM 781 O GLN A 56 -19.658 -10.110 5.291 1.00 0.00 O ATOM 782 CB GLN A 56 -19.701 -7.331 7.338 1.00 0.00 C ATOM 783 CG GLN A 56 -19.979 -8.416 8.375 1.00 0.00 C ATOM 784 CD GLN A 56 -18.751 -8.874 9.166 1.00 0.00 C ATOM 785 OE1 GLN A 56 -17.787 -8.147 9.373 1.00 0.00 O ATOM 786 NE2 GLN A 56 -18.731 -10.135 9.565 1.00 0.00 N ATOM 0 H GLN A 56 -18.417 -7.480 4.239 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.186 -8.495 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.053 -6.564 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.631 -6.840 7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.728 -8.047 9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -20.412 -9.280 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -19.535 -10.738 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.911 -10.505 10.047 1.00 0.00 H new ATOM 795 N SER A 57 -21.050 -8.462 4.714 1.00 0.00 N ATOM 796 CA SER A 57 -22.217 -9.310 4.441 1.00 0.00 C ATOM 797 C SER A 57 -22.469 -9.355 2.936 1.00 0.00 C ATOM 798 O SER A 57 -23.598 -9.213 2.472 1.00 0.00 O ATOM 799 CB SER A 57 -23.424 -8.771 5.221 1.00 0.00 C ATOM 800 OG SER A 57 -24.411 -9.760 5.443 1.00 0.00 O ATOM 0 H SER A 57 -21.144 -7.503 4.380 1.00 0.00 H new ATOM 0 HA SER A 57 -22.039 -10.333 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.087 -8.377 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.865 -7.939 4.672 1.00 0.00 H new ATOM 0 HG SER A 57 -25.158 -9.370 5.944 1.00 0.00 H new ATOM 806 N VAL A 58 -21.388 -9.429 2.168 1.00 0.00 N ATOM 807 CA VAL A 58 -21.379 -9.234 0.733 1.00 0.00 C ATOM 808 C VAL A 58 -20.848 -10.535 0.128 1.00 0.00 C ATOM 809 O VAL A 58 -21.645 -11.446 -0.104 1.00 0.00 O ATOM 810 CB VAL A 58 -20.704 -7.892 0.406 1.00 0.00 C ATOM 811 CG1 VAL A 58 -21.556 -6.726 0.930 1.00 0.00 C ATOM 812 CG2 VAL A 58 -19.254 -7.771 0.850 1.00 0.00 C ATOM 0 H VAL A 58 -20.463 -9.634 2.546 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.349 -9.094 0.257 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.652 -7.848 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.066 -5.782 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.539 -6.754 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.668 -6.814 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.870 -6.789 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.193 -7.893 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.659 -8.544 0.364 1.00 0.00 H new ATOM 822 N SER A 59 -19.529 -10.713 0.047 1.00 0.00 N ATOM 823 CA SER A 59 -18.888 -11.979 -0.270 1.00 0.00 C ATOM 824 C SER A 59 -17.781 -12.343 0.728 1.00 0.00 C ATOM 825 O SER A 59 -17.027 -13.281 0.460 1.00 0.00 O ATOM 826 CB SER A 59 -18.436 -11.969 -1.734 1.00 0.00 C ATOM 827 OG SER A 59 -19.540 -12.223 -2.587 1.00 0.00 O ATOM 0 H SER A 59 -18.863 -9.957 0.205 1.00 0.00 H new ATOM 0 HA SER A 59 -19.613 -12.785 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.992 -11.004 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.665 -12.724 -1.890 1.00 0.00 H new ATOM 0 HG SER A 59 -19.241 -12.213 -3.520 1.00 0.00 H new ATOM 833 N ASN A 60 -17.762 -11.697 1.905 1.00 0.00 N ATOM 834 CA ASN A 60 -16.882 -11.999 3.039 1.00 0.00 C ATOM 835 C ASN A 60 -15.424 -12.171 2.580 1.00 0.00 C ATOM 836 O ASN A 60 -14.767 -13.191 2.801 1.00 0.00 O ATOM 837 CB ASN A 60 -17.467 -13.177 3.838 1.00 0.00 C ATOM 838 CG ASN A 60 -16.758 -13.432 5.164 1.00 0.00 C ATOM 839 OD1 ASN A 60 -15.764 -12.799 5.502 1.00 0.00 O ATOM 840 ND2 ASN A 60 -17.242 -14.381 5.946 1.00 0.00 N ATOM 0 H ASN A 60 -18.389 -10.916 2.098 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.842 -11.158 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.522 -12.984 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.414 -14.079 3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -16.788 -14.590 6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.069 -14.905 5.660 1.00 0.00 H new ATOM 847 N SER A 61 -14.943 -11.179 1.837 1.00 0.00 N ATOM 848 CA SER A 61 -13.554 -11.011 1.424 1.00 0.00 C ATOM 849 C SER A 61 -13.300 -9.517 1.200 1.00 0.00 C ATOM 850 O SER A 61 -14.236 -8.790 0.838 1.00 0.00 O ATOM 851 CB SER A 61 -13.335 -11.775 0.109 1.00 0.00 C ATOM 852 OG SER A 61 -13.660 -13.149 0.246 1.00 0.00 O ATOM 0 H SER A 61 -15.543 -10.432 1.489 1.00 0.00 H new ATOM 0 HA SER A 61 -12.873 -11.395 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.947 -11.332 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.295 -11.675 -0.202 1.00 0.00 H new ATOM 0 HG SER A 61 -13.931 -13.330 1.170 1.00 0.00 H new ATOM 858 N TRP A 62 -12.058 -9.055 1.349 1.00 0.00 N ATOM 859 CA TRP A 62 -11.634 -7.832 0.678 1.00 0.00 C ATOM 860 C TRP A 62 -11.747 -8.072 -0.826 1.00 0.00 C ATOM 861 O TRP A 62 -11.375 -9.145 -1.303 1.00 0.00 O ATOM 862 CB TRP A 62 -10.193 -7.468 1.061 1.00 0.00 C ATOM 863 CG TRP A 62 -10.025 -6.962 2.459 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.571 -7.676 3.510 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.350 -5.646 2.990 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.623 -6.907 4.657 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.137 -5.656 4.403 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.806 -4.444 2.410 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.421 -4.545 5.210 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.114 -3.331 3.215 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.931 -3.394 4.609 1.00 0.00 C ATOM 0 H TRP A 62 -11.340 -9.502 1.919 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.266 -6.997 0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.564 -8.348 0.930 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.828 -6.709 0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.219 -8.696 3.462 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.319 -7.227 5.577 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.920 -4.377 1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.248 -4.580 6.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.492 -2.426 2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.188 -2.542 5.220 1.00 0.00 H new ATOM 882 N GLN A 63 -12.263 -7.100 -1.577 1.00 0.00 N ATOM 883 CA GLN A 63 -12.328 -7.161 -3.036 1.00 0.00 C ATOM 884 C GLN A 63 -11.861 -5.829 -3.561 1.00 0.00 C ATOM 885 O GLN A 63 -12.137 -4.800 -2.944 1.00 0.00 O ATOM 886 CB GLN A 63 -13.748 -7.437 -3.567 1.00 0.00 C ATOM 887 CG GLN A 63 -14.466 -8.452 -2.691 1.00 0.00 C ATOM 888 CD GLN A 63 -15.580 -9.225 -3.377 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.388 -8.695 -4.136 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.673 -10.510 -3.079 1.00 0.00 N ATOM 0 H GLN A 63 -12.651 -6.241 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.701 -7.987 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.317 -6.508 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.692 -7.808 -4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.733 -9.163 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.884 -7.933 -1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.996 -10.937 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.422 -11.074 -3.481 1.00 0.00 H new ATOM 899 N THR A 64 -11.208 -5.846 -4.710 1.00 0.00 N ATOM 900 CA THR A 64 -10.722 -4.633 -5.346 1.00 0.00 C ATOM 901 C THR A 64 -11.904 -3.945 -6.020 1.00 0.00 C ATOM 902 O THR A 64 -12.592 -4.562 -6.836 1.00 0.00 O ATOM 903 CB THR A 64 -9.579 -4.925 -6.328 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.847 -6.081 -5.950 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.595 -3.763 -6.350 1.00 0.00 C ATOM 0 H THR A 64 -11.000 -6.700 -5.228 1.00 0.00 H new ATOM 0 HA THR A 64 -10.297 -3.965 -4.596 1.00 0.00 H new ATOM 0 HB THR A 64 -10.036 -5.077 -7.306 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.128 -6.239 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.789 -3.982 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.111 -2.855 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.180 -3.619 -5.352 1.00 0.00 H new ATOM 913 N VAL A 65 -12.169 -2.689 -5.674 1.00 0.00 N ATOM 914 CA VAL A 65 -13.313 -1.917 -6.163 1.00 0.00 C ATOM 915 C VAL A 65 -12.863 -0.646 -6.908 1.00 0.00 C ATOM 916 O VAL A 65 -13.699 0.067 -7.459 1.00 0.00 O ATOM 917 CB VAL A 65 -14.307 -1.655 -5.008 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.868 -2.964 -4.410 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.673 -0.827 -3.883 1.00 0.00 C ATOM 0 H VAL A 65 -11.580 -2.163 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.851 -2.501 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.128 -1.090 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.561 -2.727 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.391 -3.523 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.048 -3.566 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.406 -0.666 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.813 -1.361 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.349 0.136 -4.278 1.00 0.00 H new ATOM 929 N ALA A 66 -11.556 -0.363 -6.971 1.00 0.00 N ATOM 930 CA ALA A 66 -10.958 0.508 -7.975 1.00 0.00 C ATOM 931 C ALA A 66 -9.514 0.058 -8.165 1.00 0.00 C ATOM 932 O ALA A 66 -8.839 -0.257 -7.182 1.00 0.00 O ATOM 933 CB ALA A 66 -10.997 1.972 -7.527 1.00 0.00 C ATOM 0 H ALA A 66 -10.877 -0.743 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.516 0.439 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.544 2.600 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.032 2.278 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.443 2.082 -6.595 1.00 0.00 H new ATOM 939 N ASN A 67 -9.006 0.040 -9.399 1.00 0.00 N ATOM 940 CA ASN A 67 -7.694 -0.534 -9.677 1.00 0.00 C ATOM 941 C ASN A 67 -6.960 0.412 -10.622 1.00 0.00 C ATOM 942 O ASN A 67 -7.491 0.758 -11.680 1.00 0.00 O ATOM 943 CB ASN A 67 -7.748 -1.961 -10.282 1.00 0.00 C ATOM 944 CG ASN A 67 -8.741 -2.991 -9.721 1.00 0.00 C ATOM 945 OD1 ASN A 67 -9.805 -2.687 -9.190 1.00 0.00 O ATOM 946 ND2 ASN A 67 -8.427 -4.269 -9.860 1.00 0.00 N ATOM 0 H ASN A 67 -9.484 0.416 -10.218 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.169 -0.642 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.956 -1.855 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.750 -2.390 -10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.067 -4.990 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.545 -4.533 -10.300 1.00 0.00 H new ATOM 953 N HIS A 68 -5.724 0.781 -10.273 1.00 0.00 N ATOM 954 CA HIS A 68 -4.876 1.734 -10.989 1.00 0.00 C ATOM 955 C HIS A 68 -5.481 3.144 -11.008 1.00 0.00 C ATOM 956 O HIS A 68 -5.648 3.767 -12.055 1.00 0.00 O ATOM 957 CB HIS A 68 -4.437 1.174 -12.351 1.00 0.00 C ATOM 958 CG HIS A 68 -3.224 0.295 -12.228 1.00 0.00 C ATOM 959 ND1 HIS A 68 -1.949 0.618 -12.629 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.184 -0.935 -11.639 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.151 -0.407 -12.291 1.00 0.00 C ATOM 962 NE2 HIS A 68 -1.856 -1.377 -11.669 1.00 0.00 N ATOM 0 H HIS A 68 -5.267 0.404 -9.443 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.946 1.865 -10.436 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.256 0.604 -12.791 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.221 1.998 -13.031 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.025 -1.471 -11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.090 -0.450 -12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.494 -2.255 -11.296 1.00 0.00 H new ATOM 970 N VAL A 69 -5.751 3.660 -9.809 1.00 0.00 N ATOM 971 CA VAL A 69 -6.282 4.993 -9.563 1.00 0.00 C ATOM 972 C VAL A 69 -5.112 5.976 -9.573 1.00 0.00 C ATOM 973 O VAL A 69 -4.075 5.724 -8.955 1.00 0.00 O ATOM 974 CB VAL A 69 -7.028 4.998 -8.208 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.572 6.379 -7.819 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.223 4.041 -8.249 1.00 0.00 C ATOM 0 H VAL A 69 -5.598 3.135 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.994 5.289 -10.333 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.287 4.689 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.084 6.311 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.747 7.087 -7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.273 6.722 -8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.736 4.058 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.913 4.353 -9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.872 3.030 -8.456 1.00 0.00 H new ATOM 986 N LYS A 70 -5.278 7.104 -10.265 1.00 0.00 N ATOM 987 CA LYS A 70 -4.320 8.175 -10.425 1.00 0.00 C ATOM 988 C LYS A 70 -4.944 9.483 -9.933 1.00 0.00 C ATOM 989 O LYS A 70 -4.987 10.491 -10.648 1.00 0.00 O ATOM 990 CB LYS A 70 -3.943 8.200 -11.906 1.00 0.00 C ATOM 991 CG LYS A 70 -3.448 6.808 -12.373 1.00 0.00 C ATOM 992 CD LYS A 70 -2.732 6.867 -13.714 1.00 0.00 C ATOM 993 CE LYS A 70 -1.393 7.557 -13.483 1.00 0.00 C ATOM 994 NZ LYS A 70 -0.712 7.949 -14.735 1.00 0.00 N ATOM 0 H LYS A 70 -6.149 7.297 -10.759 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.415 8.032 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.806 8.502 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.164 8.943 -12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.774 6.394 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.298 6.129 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.583 5.864 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.327 7.417 -14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.551 8.445 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.742 6.891 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.191 8.412 -14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.532 7.103 -15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.315 8.608 -15.267 1.00 0.00 H new ATOM 1008 N THR A 71 -5.471 9.449 -8.714 1.00 0.00 N ATOM 1009 CA THR A 71 -5.981 10.598 -7.977 1.00 0.00 C ATOM 1010 C THR A 71 -5.787 10.302 -6.482 1.00 0.00 C ATOM 1011 O THR A 71 -5.240 9.253 -6.117 1.00 0.00 O ATOM 1012 CB THR A 71 -7.435 10.899 -8.416 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.058 11.874 -7.612 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.329 9.658 -8.488 1.00 0.00 C ATOM 0 H THR A 71 -5.558 8.579 -8.189 1.00 0.00 H new ATOM 0 HA THR A 71 -5.439 11.519 -8.192 1.00 0.00 H new ATOM 0 HB THR A 71 -7.326 11.291 -9.427 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.988 11.615 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.331 9.949 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.914 8.952 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.379 9.188 -7.506 1.00 0.00 H new ATOM 1022 N THR A 72 -6.217 11.225 -5.628 1.00 0.00 N ATOM 1023 CA THR A 72 -6.304 11.083 -4.176 1.00 0.00 C ATOM 1024 C THR A 72 -7.750 11.224 -3.691 1.00 0.00 C ATOM 1025 O THR A 72 -7.998 11.240 -2.479 1.00 0.00 O ATOM 1026 CB THR A 72 -5.397 12.128 -3.502 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.820 13.438 -3.817 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.940 11.990 -3.947 1.00 0.00 C ATOM 0 H THR A 72 -6.531 12.142 -5.946 1.00 0.00 H new ATOM 0 HA THR A 72 -5.964 10.084 -3.901 1.00 0.00 H new ATOM 0 HB THR A 72 -5.469 11.949 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.231 14.086 -3.377 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.334 12.746 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.572 10.998 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.875 12.127 -5.026 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.689 11.403 -4.624 1.00 0.00 N ATOM 1037 CA LEU A 73 -10.090 11.634 -4.392 1.00 0.00 C ATOM 1038 C LEU A 73 -10.810 10.770 -5.422 1.00 0.00 C ATOM 1039 O LEU A 73 -10.793 11.088 -6.607 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.354 13.140 -4.553 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.677 13.607 -3.933 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -11.618 13.628 -2.415 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.936 15.046 -4.332 1.00 0.00 C ATOM 0 H LEU A 73 -8.462 11.387 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.440 11.367 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.534 13.694 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.354 13.388 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.444 12.915 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.576 13.965 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.404 12.625 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.831 14.309 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.876 15.382 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.122 15.675 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.997 15.117 -5.418 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.370 9.637 -5.007 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.158 8.763 -5.864 1.00 0.00 C ATOM 1057 C TYR A 74 -13.481 8.476 -5.183 1.00 0.00 C ATOM 1058 O TYR A 74 -13.539 8.266 -3.967 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.399 7.465 -6.153 1.00 0.00 C ATOM 1060 CG TYR A 74 -12.085 6.602 -7.192 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.187 7.083 -8.508 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.644 5.352 -6.859 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.797 6.300 -9.496 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.253 4.559 -7.852 1.00 0.00 C ATOM 1065 CZ TYR A 74 -13.312 5.024 -9.184 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.807 4.252 -10.190 1.00 0.00 O ATOM 0 H TYR A 74 -11.286 9.297 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.342 9.254 -6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.393 7.707 -6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.294 6.898 -5.228 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.795 8.058 -8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.606 5.000 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.874 6.676 -10.505 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.674 3.598 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 74 -14.125 3.401 -9.823 1.00 0.00 H new ATOM 1076 N THR A 75 -14.539 8.518 -5.974 1.00 0.00 N ATOM 1077 CA THR A 75 -15.864 8.098 -5.593 1.00 0.00 C ATOM 1078 C THR A 75 -15.926 6.592 -5.858 1.00 0.00 C ATOM 1079 O THR A 75 -15.980 6.172 -7.014 1.00 0.00 O ATOM 1080 CB THR A 75 -16.865 8.907 -6.423 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.728 10.298 -6.157 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.314 8.485 -6.161 1.00 0.00 C ATOM 0 H THR A 75 -14.490 8.859 -6.934 1.00 0.00 H new ATOM 0 HA THR A 75 -16.105 8.274 -4.545 1.00 0.00 H new ATOM 0 HB THR A 75 -16.637 8.705 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.374 10.800 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.985 9.088 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.438 7.432 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.552 8.634 -5.108 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.875 5.781 -4.802 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.166 4.354 -4.873 1.00 0.00 C ATOM 1092 C VAL A 76 -17.641 4.218 -5.249 1.00 0.00 C ATOM 1093 O VAL A 76 -18.456 4.989 -4.751 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.846 3.699 -3.514 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.183 2.200 -3.535 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.350 3.838 -3.202 1.00 0.00 C ATOM 0 H VAL A 76 -15.628 6.101 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.556 3.846 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.446 4.203 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.948 1.761 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.244 2.069 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.596 1.706 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.134 3.372 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.768 3.346 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.083 4.894 -3.162 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.003 3.261 -6.107 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.345 3.096 -6.674 1.00 0.00 C ATOM 1108 C ARG A 77 -19.838 1.659 -6.499 1.00 0.00 C ATOM 1109 O ARG A 77 -19.118 0.807 -5.983 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.294 3.465 -8.167 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.089 4.962 -8.439 1.00 0.00 C ATOM 1112 CD ARG A 77 -18.806 5.186 -9.933 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.534 6.343 -10.478 1.00 0.00 N ATOM 1114 CZ ARG A 77 -19.087 7.239 -11.367 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -17.834 7.210 -11.805 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -19.916 8.164 -11.833 1.00 0.00 N ATOM 0 H ARG A 77 -17.347 2.554 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.043 3.750 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.486 2.907 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.222 3.145 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.976 5.520 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.259 5.339 -7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.736 5.333 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.084 4.291 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.487 6.478 -10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.191 6.495 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.514 7.902 -12.482 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.884 8.188 -11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.585 8.851 -12.510 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.066 1.392 -6.950 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.659 0.064 -7.005 1.00 0.00 C ATOM 1132 C GLY A 78 -21.977 -0.536 -5.645 1.00 0.00 C ATOM 1133 O GLY A 78 -22.217 -1.741 -5.560 1.00 0.00 O ATOM 0 H GLY A 78 -21.690 2.120 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.577 0.113 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.978 -0.603 -7.533 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.958 0.269 -4.584 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.160 -0.222 -3.230 1.00 0.00 C ATOM 1139 C LEU A 79 -23.625 -0.516 -2.991 1.00 0.00 C ATOM 1140 O LEU A 79 -24.520 -0.079 -3.720 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.639 0.764 -2.174 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.136 1.015 -2.302 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.701 2.075 -1.296 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.261 -0.232 -2.141 1.00 0.00 C ATOM 0 H LEU A 79 -21.802 1.275 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.585 -1.143 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.172 1.710 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.856 0.375 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.984 1.356 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.629 2.250 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.239 3.003 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.924 1.731 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.212 0.044 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.424 -0.666 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.524 -0.962 -2.906 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.845 -1.254 -1.915 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.179 -1.627 -1.455 1.00 0.00 C ATOM 1158 C ARG A 80 -25.636 -0.595 -0.433 1.00 0.00 C ATOM 1159 O ARG A 80 -24.791 -0.075 0.298 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.194 -3.048 -0.872 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.700 -4.043 -1.921 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.610 -5.494 -1.444 1.00 0.00 C ATOM 1163 NE ARG A 80 -24.453 -6.397 -2.599 1.00 0.00 N ATOM 1164 CZ ARG A 80 -25.183 -7.485 -2.867 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -25.958 -8.017 -1.932 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -25.154 -7.996 -4.090 1.00 0.00 N ATOM 0 H ARG A 80 -23.095 -1.617 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.871 -1.636 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.560 -3.094 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.203 -3.310 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.366 -4.000 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.715 -3.727 -2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -23.766 -5.610 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.508 -5.758 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 80 -23.712 -6.168 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -25.999 -7.596 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.513 -8.847 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -24.580 -7.560 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -25.705 -8.826 -4.309 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.933 -0.274 -0.367 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.452 0.741 0.537 1.00 0.00 C ATOM 1182 C PRO A 81 -27.598 0.180 1.944 1.00 0.00 C ATOM 1183 O PRO A 81 -27.744 -1.030 2.120 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.796 1.123 -0.062 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.289 -0.180 -0.690 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.003 -0.867 -1.151 1.00 0.00 C ATOM 0 HA PRO A 81 -26.792 1.603 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.486 1.488 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.694 1.914 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.834 -0.791 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.964 0.008 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.056 -1.944 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.838 -0.713 -2.217 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.609 1.065 2.943 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.668 0.744 4.371 1.00 0.00 C ATOM 1196 C ASN A 82 -26.580 -0.245 4.824 1.00 0.00 C ATOM 1197 O ASN A 82 -26.702 -0.804 5.915 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.061 0.217 4.782 1.00 0.00 C ATOM 1199 CG ASN A 82 -30.227 1.154 4.509 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -30.276 2.279 5.001 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -31.222 0.696 3.772 1.00 0.00 N ATOM 0 H ASN A 82 -27.576 2.070 2.771 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.478 1.688 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.243 -0.722 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.043 -0.010 5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -32.043 1.278 3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.170 -0.240 3.369 1.00 0.00 H new ATOM 1208 N THR A 83 -25.535 -0.500 4.036 1.00 0.00 N ATOM 1209 CA THR A 83 -24.554 -1.551 4.274 1.00 0.00 C ATOM 1210 C THR A 83 -23.236 -0.907 4.680 1.00 0.00 C ATOM 1211 O THR A 83 -22.792 0.084 4.090 1.00 0.00 O ATOM 1212 CB THR A 83 -24.537 -2.542 3.079 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.644 -3.397 3.293 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.319 -3.448 3.061 1.00 0.00 C ATOM 0 H THR A 83 -25.345 0.037 3.190 1.00 0.00 H new ATOM 0 HA THR A 83 -24.812 -2.192 5.117 1.00 0.00 H new ATOM 0 HB THR A 83 -24.546 -1.968 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 83 -25.695 -4.054 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.373 -4.114 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.416 -2.842 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.292 -4.040 3.976 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.654 -1.437 5.759 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.323 -1.058 6.185 1.00 0.00 C ATOM 1224 C ILE A 84 -20.342 -1.428 5.081 1.00 0.00 C ATOM 1225 O ILE A 84 -20.501 -2.459 4.424 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.968 -1.722 7.532 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.744 -1.122 8.721 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.459 -1.649 7.851 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.677 0.402 8.856 1.00 0.00 C ATOM 0 H ILE A 84 -23.098 -2.137 6.353 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.271 0.018 6.353 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.261 -2.764 7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.790 -1.415 8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.364 -1.567 9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.266 -2.131 8.809 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.897 -2.159 7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.148 -0.606 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.257 0.716 9.724 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.639 0.711 8.982 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.087 0.865 7.959 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.310 -0.613 4.923 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.116 -0.959 4.190 1.00 0.00 C ATOM 1243 C TYR A 85 -16.926 -0.404 4.931 1.00 0.00 C ATOM 1244 O TYR A 85 -16.979 0.624 5.610 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.141 -0.439 2.742 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.124 -1.140 1.826 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -18.766 -2.332 1.167 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -20.410 -0.605 1.645 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -19.711 -3.004 0.368 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -21.367 -1.280 0.883 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.024 -2.492 0.259 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.979 -3.154 -0.433 1.00 0.00 O ATOM 0 H TYR A 85 -19.286 0.329 5.313 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.054 -2.045 4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.378 0.625 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.141 -0.537 2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.768 -2.730 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.662 0.341 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.434 -3.905 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.362 -0.874 0.774 1.00 0.00 H new ATOM 0 HH TYR A 85 -22.450 -3.769 0.167 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.847 -1.134 4.735 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.490 -0.718 4.918 1.00 0.00 C ATOM 1264 C LEU A 86 -13.849 -0.624 3.564 1.00 0.00 C ATOM 1265 O LEU A 86 -14.356 -1.194 2.604 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.755 -1.713 5.803 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.314 -1.873 7.221 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.707 -3.142 7.797 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.927 -0.700 8.123 1.00 0.00 C ATOM 0 H LEU A 86 -15.911 -2.102 4.421 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.448 0.253 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.769 -2.687 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.711 -1.407 5.875 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.402 -1.912 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.079 -3.296 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.985 -3.993 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.621 -3.048 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.344 -0.854 9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.841 -0.635 8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.320 0.226 7.704 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.730 0.089 3.526 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.960 0.423 2.343 1.00 0.00 C ATOM 1283 C PHE A 87 -10.474 0.364 2.691 1.00 0.00 C ATOM 1284 O PHE A 87 -10.064 1.040 3.638 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.344 1.834 1.868 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.812 1.984 1.523 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.323 1.289 0.416 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.680 2.738 2.340 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.699 1.311 0.145 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.058 2.772 2.062 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.565 2.054 0.966 1.00 0.00 C ATOM 0 H PHE A 87 -12.314 0.471 4.375 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.170 -0.285 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.088 2.552 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.747 2.088 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.655 0.736 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.286 3.290 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.093 0.757 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.724 3.347 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.624 2.073 0.754 1.00 0.00 H new ATOM 1301 N MET A 88 -9.654 -0.388 1.955 1.00 0.00 N ATOM 1302 CA MET A 88 -8.209 -0.186 2.019 1.00 0.00 C ATOM 1303 C MET A 88 -7.827 0.532 0.734 1.00 0.00 C ATOM 1304 O MET A 88 -8.484 0.387 -0.295 1.00 0.00 O ATOM 1305 CB MET A 88 -7.412 -1.497 2.146 1.00 0.00 C ATOM 1306 CG MET A 88 -7.508 -2.095 3.549 1.00 0.00 C ATOM 1307 SD MET A 88 -6.338 -3.417 3.968 1.00 0.00 S ATOM 1308 CE MET A 88 -6.855 -4.707 2.816 1.00 0.00 C ATOM 0 H MET A 88 -9.958 -1.127 1.321 1.00 0.00 H new ATOM 0 HA MET A 88 -7.965 0.388 2.913 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.784 -2.219 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.366 -1.310 1.903 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.378 -1.288 4.270 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.518 -2.483 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.926 -5.659 3.343 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.828 -4.452 2.396 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.124 -4.791 2.012 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.726 1.259 0.782 1.00 0.00 N ATOM 1319 CA VAL A 89 -6.049 1.846 -0.351 1.00 0.00 C ATOM 1320 C VAL A 89 -4.650 1.230 -0.290 1.00 0.00 C ATOM 1321 O VAL A 89 -4.051 1.167 0.787 1.00 0.00 O ATOM 1322 CB VAL A 89 -6.049 3.380 -0.208 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.413 4.065 -1.415 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.458 3.962 -0.087 1.00 0.00 C ATOM 0 H VAL A 89 -6.257 1.465 1.664 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.518 1.650 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.478 3.568 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.434 5.145 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.380 3.733 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.970 3.807 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.397 5.046 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.033 3.710 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.950 3.545 0.792 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.117 0.771 -1.422 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.702 0.414 -1.553 1.00 0.00 C ATOM 1336 C ARG A 90 -2.145 1.334 -2.617 1.00 0.00 C ATOM 1337 O ARG A 90 -2.858 1.646 -3.568 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.516 -1.069 -1.953 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.917 -2.065 -0.858 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.064 -3.478 -1.445 1.00 0.00 C ATOM 1341 NE ARG A 90 -3.106 -4.489 -0.374 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.988 -5.492 -0.296 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -4.653 -5.892 -1.374 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -4.188 -6.075 0.879 1.00 0.00 N ATOM 0 H ARG A 90 -4.655 0.635 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.182 0.530 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.106 -1.270 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.472 -1.235 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.166 -2.069 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.857 -1.754 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.975 -3.536 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.230 -3.687 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.408 -4.419 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.493 -5.434 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.323 -6.658 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.674 -5.757 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.856 -6.842 0.961 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.882 1.717 -2.513 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.171 2.334 -3.614 1.00 0.00 C ATOM 1360 C ALA A 91 0.358 1.177 -4.452 1.00 0.00 C ATOM 1361 O ALA A 91 0.441 0.034 -3.990 1.00 0.00 O ATOM 1362 CB ALA A 91 0.987 3.209 -3.097 1.00 0.00 C ATOM 0 H ALA A 91 -0.326 1.608 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.818 2.991 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.506 3.662 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.591 3.993 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.685 2.592 -2.531 1.00 0.00 H new ATOM 1368 N ILE A 92 0.650 1.484 -5.706 1.00 0.00 N ATOM 1369 CA ILE A 92 1.311 0.600 -6.637 1.00 0.00 C ATOM 1370 C ILE A 92 2.522 1.331 -7.178 1.00 0.00 C ATOM 1371 O ILE A 92 2.474 2.534 -7.457 1.00 0.00 O ATOM 1372 CB ILE A 92 0.301 0.108 -7.704 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.075 -1.318 -7.284 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.780 0.169 -9.159 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.070 -2.000 -8.212 1.00 0.00 C ATOM 0 H ILE A 92 0.422 2.391 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 92 1.675 -0.313 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.552 0.787 -7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.832 -1.921 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.494 -1.290 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.007 -0.199 -9.817 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.019 1.200 -9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.669 -0.450 -9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.282 -3.004 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.994 -1.422 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.648 -2.063 -9.215 1.00 0.00 H new ATOM 1387 N ASN A 93 3.583 0.569 -7.399 1.00 0.00 N ATOM 1388 CA ASN A 93 4.824 0.993 -8.028 1.00 0.00 C ATOM 1389 C ASN A 93 5.255 -0.124 -8.983 1.00 0.00 C ATOM 1390 O ASN A 93 4.630 -1.187 -9.009 1.00 0.00 O ATOM 1391 CB ASN A 93 5.871 1.403 -6.966 1.00 0.00 C ATOM 1392 CG ASN A 93 6.922 0.364 -6.606 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.721 -0.834 -6.723 1.00 0.00 O ATOM 1394 ND2 ASN A 93 8.097 0.811 -6.197 1.00 0.00 N ATOM 0 H ASN A 93 3.602 -0.415 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 93 4.698 1.898 -8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.384 2.297 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.341 1.681 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.844 0.153 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.256 1.814 -6.102 1.00 0.00 H new ATOM 1401 N PRO A 94 6.295 0.080 -9.796 1.00 0.00 N ATOM 1402 CA PRO A 94 6.665 -0.857 -10.841 1.00 0.00 C ATOM 1403 C PRO A 94 7.506 -2.034 -10.304 1.00 0.00 C ATOM 1404 O PRO A 94 8.295 -2.602 -11.059 1.00 0.00 O ATOM 1405 CB PRO A 94 7.358 0.034 -11.872 1.00 0.00 C ATOM 1406 CG PRO A 94 8.082 1.059 -11.013 1.00 0.00 C ATOM 1407 CD PRO A 94 7.069 1.305 -9.914 1.00 0.00 C ATOM 0 HA PRO A 94 5.822 -1.385 -11.287 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.051 -0.533 -12.493 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.641 0.506 -12.544 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.024 0.675 -10.623 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.314 1.968 -11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.565 1.544 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.426 2.150 -10.159 1.00 0.00 H new ATOM 1415 N GLN A 95 7.343 -2.417 -9.033 1.00 0.00 N ATOM 1416 CA GLN A 95 7.900 -3.608 -8.391 1.00 0.00 C ATOM 1417 C GLN A 95 6.819 -4.341 -7.594 1.00 0.00 C ATOM 1418 O GLN A 95 6.770 -5.570 -7.652 1.00 0.00 O ATOM 1419 CB GLN A 95 9.048 -3.229 -7.442 1.00 0.00 C ATOM 1420 CG GLN A 95 10.368 -2.964 -8.168 1.00 0.00 C ATOM 1421 CD GLN A 95 11.227 -4.221 -8.271 1.00 0.00 C ATOM 1422 OE1 GLN A 95 11.706 -4.724 -7.259 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.445 -4.764 -9.456 1.00 0.00 N ATOM 0 H GLN A 95 6.781 -1.865 -8.385 1.00 0.00 H new ATOM 0 HA GLN A 95 8.282 -4.261 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.766 -2.340 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.193 -4.032 -6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.161 -2.583 -9.168 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.923 -2.188 -7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.044 -4.340 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.015 -5.607 -9.534 1.00 0.00 H new ATOM 1432 N GLY A 96 5.971 -3.617 -6.860 1.00 0.00 N ATOM 1433 CA GLY A 96 4.895 -4.197 -6.068 1.00 0.00 C ATOM 1434 C GLY A 96 4.002 -3.145 -5.416 1.00 0.00 C ATOM 1435 O GLY A 96 4.148 -1.938 -5.620 1.00 0.00 O ATOM 0 H GLY A 96 6.017 -2.600 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.286 -4.838 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.323 -4.833 -5.293 1.00 0.00 H new ATOM 1439 N LEU A 97 3.040 -3.634 -4.639 1.00 0.00 N ATOM 1440 CA LEU A 97 2.020 -2.841 -3.950 1.00 0.00 C ATOM 1441 C LEU A 97 2.472 -2.476 -2.529 1.00 0.00 C ATOM 1442 O LEU A 97 3.418 -3.071 -2.009 1.00 0.00 O ATOM 1443 CB LEU A 97 0.703 -3.638 -3.956 1.00 0.00 C ATOM 1444 CG LEU A 97 0.752 -4.865 -3.015 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.098 -4.599 -1.659 1.00 0.00 C ATOM 1446 CD2 LEU A 97 0.124 -6.111 -3.630 1.00 0.00 C ATOM 0 H LEU A 97 2.944 -4.634 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 97 1.864 -1.895 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.115 -2.984 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.487 -3.971 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 97 1.816 -5.048 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.163 -5.495 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.613 -3.778 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.949 -4.334 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.189 -6.938 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.922 -5.914 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.656 -6.373 -4.544 1.00 0.00 H new ATOM 1458 N SER A 98 1.800 -1.524 -1.887 1.00 0.00 N ATOM 1459 CA SER A 98 2.185 -0.988 -0.584 1.00 0.00 C ATOM 1460 C SER A 98 1.627 -1.774 0.599 1.00 0.00 C ATOM 1461 O SER A 98 0.715 -2.589 0.463 1.00 0.00 O ATOM 1462 CB SER A 98 1.836 0.508 -0.532 1.00 0.00 C ATOM 1463 OG SER A 98 0.474 0.773 -0.246 1.00 0.00 O ATOM 0 H SER A 98 0.956 -1.095 -2.265 1.00 0.00 H new ATOM 0 HA SER A 98 3.264 -1.103 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.456 0.989 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.091 0.963 -1.489 1.00 0.00 H new ATOM 0 HG SER A 98 0.338 0.775 0.724 1.00 0.00 H new ATOM 1469 N ASP A 99 2.147 -1.504 1.795 1.00 0.00 N ATOM 1470 CA ASP A 99 1.378 -1.697 3.025 1.00 0.00 C ATOM 1471 C ASP A 99 -0.020 -1.106 2.842 1.00 0.00 C ATOM 1472 O ASP A 99 -0.182 -0.122 2.110 1.00 0.00 O ATOM 1473 CB ASP A 99 2.024 -0.974 4.213 1.00 0.00 C ATOM 1474 CG ASP A 99 3.105 -1.790 4.894 1.00 0.00 C ATOM 1475 OD1 ASP A 99 2.758 -2.864 5.440 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.245 -1.284 4.960 1.00 0.00 O ATOM 0 H ASP A 99 3.094 -1.152 1.939 1.00 0.00 H new ATOM 0 HA ASP A 99 1.343 -2.768 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.452 -0.033 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.252 -0.725 4.942 1.00 0.00 H new ATOM 1481 N PRO A 100 -1.045 -1.636 3.517 1.00 0.00 N ATOM 1482 CA PRO A 100 -2.373 -1.062 3.424 1.00 0.00 C ATOM 1483 C PRO A 100 -2.404 0.324 4.077 1.00 0.00 C ATOM 1484 O PRO A 100 -1.648 0.615 5.010 1.00 0.00 O ATOM 1485 CB PRO A 100 -3.272 -2.063 4.151 1.00 0.00 C ATOM 1486 CG PRO A 100 -2.344 -2.700 5.185 1.00 0.00 C ATOM 1487 CD PRO A 100 -1.008 -2.753 4.449 1.00 0.00 C ATOM 0 HA PRO A 100 -2.701 -0.907 2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.120 -1.569 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.679 -2.807 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.282 -2.103 6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.685 -3.693 5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.172 -2.661 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.884 -3.700 3.924 1.00 0.00 H new ATOM 1495 N SER A 101 -3.340 1.158 3.639 1.00 0.00 N ATOM 1496 CA SER A 101 -3.791 2.320 4.386 1.00 0.00 C ATOM 1497 C SER A 101 -4.221 1.929 5.807 1.00 0.00 C ATOM 1498 O SER A 101 -4.799 0.845 5.984 1.00 0.00 O ATOM 1499 CB SER A 101 -5.012 2.914 3.679 1.00 0.00 C ATOM 1500 OG SER A 101 -5.977 1.899 3.437 1.00 0.00 O ATOM 0 H SER A 101 -3.812 1.042 2.742 1.00 0.00 H new ATOM 0 HA SER A 101 -2.969 3.034 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.448 3.703 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.710 3.372 2.737 1.00 0.00 H new ATOM 0 HG SER A 101 -6.854 2.310 3.290 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.104 2.844 6.783 1.00 0.00 N ATOM 1507 CA PRO A 102 -4.934 2.802 7.974 1.00 0.00 C ATOM 1508 C PRO A 102 -6.412 2.749 7.576 1.00 0.00 C ATOM 1509 O PRO A 102 -6.819 3.432 6.631 1.00 0.00 O ATOM 1510 CB PRO A 102 -4.611 4.075 8.760 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.309 4.598 8.159 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.347 4.079 6.727 1.00 0.00 C ATOM 0 HA PRO A 102 -4.739 1.918 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.411 4.809 8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.497 3.863 9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.261 5.686 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.439 4.224 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.821 4.800 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.341 3.906 6.345 1.00 0.00 H new ATOM 1520 N MET A 103 -7.217 1.967 8.295 1.00 0.00 N ATOM 1521 CA MET A 103 -8.645 1.853 8.042 1.00 0.00 C ATOM 1522 C MET A 103 -9.348 3.217 8.126 1.00 0.00 C ATOM 1523 O MET A 103 -9.227 3.926 9.124 1.00 0.00 O ATOM 1524 CB MET A 103 -9.251 0.868 9.056 1.00 0.00 C ATOM 1525 CG MET A 103 -9.365 -0.552 8.500 1.00 0.00 C ATOM 1526 SD MET A 103 -10.489 -0.648 7.119 1.00 0.00 S ATOM 1527 CE MET A 103 -9.252 -1.071 5.895 1.00 0.00 C ATOM 0 H MET A 103 -6.891 1.393 9.073 1.00 0.00 H new ATOM 0 HA MET A 103 -8.794 1.481 7.028 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.636 0.854 9.956 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.240 1.219 9.352 1.00 0.00 H new ATOM 0 HG2 MET A 103 -8.380 -0.898 8.189 1.00 0.00 H new ATOM 0 HG3 MET A 103 -9.704 -1.223 9.289 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.681 -0.978 4.897 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.402 -0.396 5.989 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.920 -2.097 6.053 1.00 0.00 H new ATOM 1537 N SER A 104 -10.138 3.553 7.101 1.00 0.00 N ATOM 1538 CA SER A 104 -11.054 4.696 7.071 1.00 0.00 C ATOM 1539 C SER A 104 -12.150 4.596 8.155 1.00 0.00 C ATOM 1540 O SER A 104 -12.743 5.616 8.505 1.00 0.00 O ATOM 1541 CB SER A 104 -11.580 4.934 5.636 1.00 0.00 C ATOM 1542 OG SER A 104 -12.978 5.053 5.480 1.00 0.00 O ATOM 0 H SER A 104 -10.157 3.014 6.235 1.00 0.00 H new ATOM 0 HA SER A 104 -10.501 5.596 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.117 5.843 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.237 4.111 5.008 1.00 0.00 H new ATOM 0 HG SER A 104 -13.190 5.202 4.535 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.348 3.401 8.726 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.289 3.017 9.802 1.00 0.00 C ATOM 1550 C ASP A 105 -14.682 2.666 9.217 1.00 0.00 C ATOM 1551 O ASP A 105 -14.987 3.118 8.113 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.351 4.114 10.889 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.461 3.601 12.316 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.951 2.497 12.608 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -13.947 4.364 13.178 1.00 0.00 O ATOM 0 H ASP A 105 -11.803 2.595 8.420 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.921 2.114 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.458 4.733 10.810 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.205 4.759 10.684 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.522 1.817 9.847 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.687 1.215 9.190 1.00 0.00 C ATOM 1562 C PRO A 106 -17.816 2.225 8.977 1.00 0.00 C ATOM 1563 O PRO A 106 -18.628 2.481 9.876 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.102 0.010 10.040 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.506 0.295 11.413 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.324 1.223 11.155 1.00 0.00 C ATOM 0 HA PRO A 106 -16.437 0.884 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.187 -0.087 10.089 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.717 -0.921 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.238 0.765 12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.184 -0.625 11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.266 1.994 11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.386 0.669 11.188 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.870 2.783 7.770 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.904 3.714 7.332 1.00 0.00 C ATOM 1576 C VAL A 107 -20.095 2.936 6.805 1.00 0.00 C ATOM 1577 O VAL A 107 -19.939 1.810 6.330 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.366 4.664 6.239 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.693 5.860 6.916 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.432 3.998 5.225 1.00 0.00 C ATOM 0 H VAL A 107 -17.174 2.593 7.049 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.211 4.320 8.185 1.00 0.00 H new ATOM 0 HB VAL A 107 -19.220 4.991 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.308 6.539 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -18.420 6.384 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.870 5.510 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.102 4.737 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.565 3.588 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.963 3.195 4.714 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.281 3.544 6.815 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.499 3.014 6.206 1.00 0.00 C ATOM 1592 C ARG A 108 -22.799 3.798 4.925 1.00 0.00 C ATOM 1593 O ARG A 108 -22.212 4.862 4.702 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.600 3.128 7.266 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.842 2.254 7.066 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.673 2.400 8.348 1.00 0.00 C ATOM 1597 NE ARG A 108 -27.040 1.869 8.254 1.00 0.00 N ATOM 1598 CZ ARG A 108 -28.069 2.428 7.608 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -27.896 3.473 6.810 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -29.292 1.931 7.732 1.00 0.00 N ATOM 0 H ARG A 108 -21.424 4.449 7.262 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.410 1.970 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.165 2.884 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.921 4.169 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.410 2.577 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.564 1.214 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.155 1.892 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -25.725 3.456 8.614 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.222 0.985 8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -26.964 3.866 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -28.695 3.884 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -29.454 1.116 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -30.071 2.364 7.236 1.00 0.00 H new ATOM 1614 N THR A 109 -23.687 3.268 4.088 1.00 0.00 N ATOM 1615 CA THR A 109 -24.269 3.947 2.938 1.00 0.00 C ATOM 1616 C THR A 109 -25.684 4.413 3.290 1.00 0.00 C ATOM 1617 O THR A 109 -26.300 3.915 4.240 1.00 0.00 O ATOM 1618 CB THR A 109 -24.318 2.983 1.743 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.766 1.711 2.171 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.971 2.808 1.046 1.00 0.00 C ATOM 0 H THR A 109 -24.034 2.315 4.199 1.00 0.00 H new ATOM 0 HA THR A 109 -23.659 4.811 2.674 1.00 0.00 H new ATOM 0 HB THR A 109 -25.006 3.428 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.421 1.022 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.080 2.114 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.626 3.772 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.243 2.412 1.755 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.231 5.328 2.490 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.561 5.876 2.721 1.00 0.00 C ATOM 1630 C GLN A 110 -28.661 4.866 2.361 1.00 0.00 C ATOM 1631 O GLN A 110 -28.403 3.778 1.837 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.733 7.216 1.979 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.593 8.199 2.310 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.039 9.633 2.576 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.046 9.878 3.241 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.273 10.605 2.117 1.00 0.00 N ATOM 0 H GLN A 110 -25.764 5.707 1.667 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.665 6.076 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.759 7.037 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.689 7.663 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.059 7.832 3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.884 8.202 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.442 10.384 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.512 11.577 2.312 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.899 5.258 2.654 1.00 0.00 N ATOM 1646 CA ASP A 111 -31.147 4.611 2.253 1.00 0.00 C ATOM 1647 C ASP A 111 -31.267 4.621 0.729 1.00 0.00 C ATOM 1648 O ASP A 111 -30.791 5.549 0.080 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.317 5.386 2.892 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.548 5.511 1.991 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.610 6.497 1.222 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -34.407 4.601 2.041 1.00 0.00 O ATOM 0 H ASP A 111 -30.069 6.092 3.216 1.00 0.00 H new ATOM 0 HA ASP A 111 -31.165 3.574 2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.606 4.888 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.974 6.385 3.161 1.00 0.00 H new ATOM 1657 N SER A 112 -31.966 3.637 0.163 1.00 0.00 N ATOM 1658 CA SER A 112 -32.311 3.580 -1.251 1.00 0.00 C ATOM 1659 C SER A 112 -33.802 3.289 -1.368 1.00 0.00 C ATOM 1660 O SER A 112 -34.210 2.161 -1.667 1.00 0.00 O ATOM 1661 CB SER A 112 -31.387 2.577 -1.962 1.00 0.00 C ATOM 1662 OG SER A 112 -31.343 2.730 -3.365 1.00 0.00 O ATOM 0 H SER A 112 -32.315 2.838 0.692 1.00 0.00 H new ATOM 0 HA SER A 112 -32.145 4.529 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.378 2.683 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.718 1.565 -1.728 1.00 0.00 H new ATOM 0 HG SER A 112 -30.737 2.062 -3.748 1.00 0.00 H new ATOM 1668 N GLY A 113 -34.606 4.312 -1.082 1.00 0.00 N ATOM 1669 CA GLY A 113 -36.051 4.319 -1.210 1.00 0.00 C ATOM 1670 C GLY A 113 -36.473 5.665 -1.804 1.00 0.00 C ATOM 1671 O GLY A 113 -36.109 5.920 -2.958 1.00 0.00 O ATOM 0 H GLY A 113 -34.242 5.201 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -36.380 3.501 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -36.519 4.169 -0.237 1.00 0.00 H new ATOM 1675 N PRO A 114 -37.229 6.511 -1.080 1.00 0.00 N ATOM 1676 CA PRO A 114 -37.696 7.801 -1.584 1.00 0.00 C ATOM 1677 C PRO A 114 -36.554 8.824 -1.630 1.00 0.00 C ATOM 1678 O PRO A 114 -35.564 8.703 -0.904 1.00 0.00 O ATOM 1679 CB PRO A 114 -38.781 8.237 -0.592 1.00 0.00 C ATOM 1680 CG PRO A 114 -38.305 7.635 0.730 1.00 0.00 C ATOM 1681 CD PRO A 114 -37.663 6.316 0.298 1.00 0.00 C ATOM 0 HA PRO A 114 -38.074 7.728 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -38.862 9.322 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -39.763 7.859 -0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -37.590 8.285 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -39.133 7.474 1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -36.819 6.064 0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -38.375 5.494 0.370 1.00 0.00 H new ATOM 1689 N SER A 115 -36.696 9.866 -2.454 1.00 0.00 N ATOM 1690 CA SER A 115 -35.823 11.037 -2.410 1.00 0.00 C ATOM 1691 C SER A 115 -36.468 12.224 -3.133 1.00 0.00 C ATOM 1692 O SER A 115 -37.377 12.023 -3.944 1.00 0.00 O ATOM 1693 CB SER A 115 -34.449 10.674 -2.998 1.00 0.00 C ATOM 1694 OG SER A 115 -34.594 9.975 -4.222 1.00 0.00 O ATOM 0 H SER A 115 -37.421 9.919 -3.170 1.00 0.00 H new ATOM 0 HA SER A 115 -35.677 11.345 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.866 11.581 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.895 10.061 -2.287 1.00 0.00 H new ATOM 0 HG SER A 115 -33.709 9.755 -4.580 1.00 0.00 H new ATOM 1700 N SER A 116 -35.973 13.442 -2.880 1.00 0.00 N ATOM 1701 CA SER A 116 -36.548 14.704 -3.354 1.00 0.00 C ATOM 1702 C SER A 116 -38.070 14.793 -3.117 1.00 0.00 C ATOM 1703 O SER A 116 -38.802 15.364 -3.933 1.00 0.00 O ATOM 1704 CB SER A 116 -36.152 14.963 -4.817 1.00 0.00 C ATOM 1705 OG SER A 116 -34.760 15.196 -4.968 1.00 0.00 O ATOM 0 H SER A 116 -35.132 13.579 -2.320 1.00 0.00 H new ATOM 0 HA SER A 116 -36.122 15.508 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 116 -36.442 14.107 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 116 -36.705 15.824 -5.193 1.00 0.00 H new ATOM 0 HG SER A 116 -34.555 15.354 -5.913 1.00 0.00 H new ATOM 1711 N GLY A 117 -38.552 14.248 -2.004 1.00 0.00 N ATOM 1712 CA GLY A 117 -39.927 14.284 -1.550 1.00 0.00 C ATOM 1713 C GLY A 117 -39.895 13.778 -0.126 1.00 0.00 C ATOM 1714 O GLY A 117 -40.305 14.532 0.776 1.00 0.00 O ATOM 0 H GLY A 117 -37.949 13.738 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -40.330 15.296 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -40.563 13.657 -2.175 1.00 0.00 H new TER 1718 GLY A 117