USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 796 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 55 HIS : no HE2:sc= 0.781 K(o=1.5,f=-6.4!) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0.752 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 4 ASN : amide:sc= 0.381 K(o=0.38,f=-2.7!) USER MOD Single : A 5 SER OG : rot 62:sc= 0.1 USER MOD Single : A 8 SER OG : rot 32:sc= 0.183 USER MOD Single : A 10 HIS : no HE2:sc= 0.415 K(o=0.42,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.364 X(o=-0.36,f=0.0037) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.29) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.424 X(o=0.42,f=0) USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0219 USER MOD Single : A 48 SER OG : rot 165:sc= 0.666 USER MOD Single : A 50 GLN : amide:sc= 0.536 K(o=0.54,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= 1.01 (180deg=0.943) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 99 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.9) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 102 MET CE :methyl 165:sc= -0.129 (180deg=-0.57) USER MOD Single : A 117 CYS SG : rot 90:sc= -0.239 USER MOD Single : A 119 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 121 THR OG1 : rot -138:sc= 1.43 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.00374 USER MOD Single : A 127 SER OG : rot -41:sc= 0.321 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot -34:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 25.503 53.858 67.298 1.00 14.12 N ATOM 35 CA HIS A 3 26.767 53.226 67.644 1.00 53.25 C ATOM 36 C HIS A 3 27.058 52.123 66.625 1.00 43.42 C ATOM 37 O HIS A 3 26.176 51.735 65.859 1.00 62.21 O ATOM 38 CB HIS A 3 26.698 52.648 69.065 1.00 61.13 C ATOM 39 CG HIS A 3 25.595 51.636 69.238 1.00 31.00 C ATOM 40 ND1 HIS A 3 24.313 51.989 69.635 1.00 75.30 N ATOM 41 CD2 HIS A 3 25.547 50.279 69.023 1.00 43.01 C ATOM 42 CE1 HIS A 3 23.580 50.863 69.660 1.00 22.43 C ATOM 43 NE2 HIS A 3 24.274 49.785 69.293 1.00 2.20 N ATOM 0 HA HIS A 3 27.570 53.962 67.620 1.00 53.25 H new ATOM 0 HB2 HIS A 3 27.653 52.181 69.308 1.00 61.13 H new ATOM 0 HB3 HIS A 3 26.551 53.462 69.775 1.00 61.13 H new ATOM 0 HD2 HIS A 3 26.381 49.679 68.691 1.00 43.01 H new ATOM 0 HE1 HIS A 3 22.539 50.834 69.947 1.00 22.43 H new ATOM 0 HE2 HIS A 3 23.947 48.821 69.226 1.00 2.20 H new ATOM 51 N ASN A 4 28.294 51.614 66.627 1.00 64.33 N ATOM 52 CA ASN A 4 28.728 50.530 65.758 1.00 33.45 C ATOM 53 C ASN A 4 29.958 49.865 66.367 1.00 44.23 C ATOM 54 O ASN A 4 30.759 50.530 67.024 1.00 65.31 O ATOM 55 CB ASN A 4 29.035 51.051 64.346 1.00 52.40 C ATOM 56 CG ASN A 4 30.222 52.014 64.336 1.00 31.30 C ATOM 57 OD1 ASN A 4 31.350 51.618 64.046 1.00 4.15 O ATOM 58 ND2 ASN A 4 29.974 53.281 64.674 1.00 41.52 N ATOM 0 H ASN A 4 29.030 51.954 67.246 1.00 64.33 H new ATOM 0 HA ASN A 4 27.926 49.797 65.671 1.00 33.45 H new ATOM 0 HB2 ASN A 4 29.246 50.209 63.687 1.00 52.40 H new ATOM 0 HB3 ASN A 4 28.155 51.556 63.947 1.00 52.40 H new ATOM 0 HD21 ASN A 4 30.734 53.960 64.698 1.00 41.52 H new ATOM 0 HD22 ASN A 4 29.024 53.570 64.908 1.00 41.52 H new ATOM 65 N SER A 5 30.101 48.556 66.140 1.00 33.44 N ATOM 66 CA SER A 5 31.186 47.743 66.670 1.00 72.53 C ATOM 67 C SER A 5 31.803 46.913 65.540 1.00 65.41 C ATOM 68 O SER A 5 31.875 45.689 65.638 1.00 30.43 O ATOM 69 CB SER A 5 30.639 46.878 67.814 1.00 34.30 C ATOM 70 OG SER A 5 29.604 46.039 67.347 1.00 42.03 O ATOM 0 H SER A 5 29.446 48.024 65.567 1.00 33.44 H new ATOM 0 HA SER A 5 31.983 48.366 67.076 1.00 72.53 H new ATOM 0 HB2 SER A 5 31.442 46.274 68.237 1.00 34.30 H new ATOM 0 HB3 SER A 5 30.265 47.517 68.614 1.00 34.30 H new ATOM 0 HG SER A 5 29.958 45.433 66.662 1.00 42.03 H new ATOM 76 N ILE A 6 32.259 47.583 64.471 1.00 13.32 N ATOM 77 CA ILE A 6 32.878 46.937 63.316 1.00 54.35 C ATOM 78 C ILE A 6 34.361 46.694 63.623 1.00 24.15 C ATOM 79 O ILE A 6 35.246 47.243 62.968 1.00 3.21 O ATOM 80 CB ILE A 6 32.656 47.771 62.034 1.00 2.35 C ATOM 81 CG1 ILE A 6 31.225 48.327 61.900 1.00 22.44 C ATOM 82 CG2 ILE A 6 33.019 46.959 60.780 1.00 65.34 C ATOM 83 CD1 ILE A 6 30.121 47.265 61.959 1.00 43.53 C ATOM 0 H ILE A 6 32.205 48.598 64.388 1.00 13.32 H new ATOM 0 HA ILE A 6 32.409 45.971 63.127 1.00 54.35 H new ATOM 0 HB ILE A 6 33.322 48.629 62.123 1.00 2.35 H new ATOM 0 HG12 ILE A 6 31.055 49.053 62.695 1.00 22.44 H new ATOM 0 HG13 ILE A 6 31.145 48.864 60.955 1.00 22.44 H new ATOM 0 HG21 ILE A 6 32.854 47.568 59.892 1.00 65.34 H new ATOM 0 HG22 ILE A 6 34.067 46.664 60.828 1.00 65.34 H new ATOM 0 HG23 ILE A 6 32.393 46.068 60.730 1.00 65.34 H new ATOM 0 HD11 ILE A 6 29.148 47.746 61.857 1.00 43.53 H new ATOM 0 HD12 ILE A 6 30.260 46.550 61.148 1.00 43.53 H new ATOM 0 HD13 ILE A 6 30.169 46.743 62.915 1.00 43.53 H new ATOM 95 N ARG A 7 34.618 45.885 64.655 1.00 34.52 N ATOM 96 CA ARG A 7 35.939 45.454 65.083 1.00 41.43 C ATOM 97 C ARG A 7 35.900 43.930 65.173 1.00 33.33 C ATOM 98 O ARG A 7 35.124 43.382 65.954 1.00 75.10 O ATOM 99 CB ARG A 7 36.303 46.074 66.441 1.00 10.03 C ATOM 100 CG ARG A 7 36.656 47.570 66.381 1.00 64.05 C ATOM 101 CD ARG A 7 35.440 48.512 66.380 1.00 20.05 C ATOM 102 NE ARG A 7 35.288 49.211 65.097 1.00 21.12 N ATOM 103 CZ ARG A 7 34.334 50.115 64.819 1.00 31.41 C ATOM 104 NH1 ARG A 7 33.427 50.461 65.741 1.00 11.21 N ATOM 105 NH2 ARG A 7 34.278 50.666 63.601 1.00 31.12 N ATOM 0 H ARG A 7 33.874 45.499 65.236 1.00 34.52 H new ATOM 0 HA ARG A 7 36.701 45.780 64.375 1.00 41.43 H new ATOM 0 HB2 ARG A 7 35.466 45.938 67.125 1.00 10.03 H new ATOM 0 HB3 ARG A 7 37.149 45.530 66.860 1.00 10.03 H new ATOM 0 HG2 ARG A 7 37.289 47.816 67.233 1.00 64.05 H new ATOM 0 HG3 ARG A 7 37.245 47.756 65.483 1.00 64.05 H new ATOM 0 HD2 ARG A 7 34.537 47.939 66.590 1.00 20.05 H new ATOM 0 HD3 ARG A 7 35.547 49.243 67.181 1.00 20.05 H new ATOM 0 HE ARG A 7 35.959 48.993 64.360 1.00 21.12 H new ATOM 0 HH11 ARG A 7 33.455 50.037 66.668 1.00 11.21 H new ATOM 0 HH12 ARG A 7 32.708 51.149 65.516 1.00 11.21 H new ATOM 0 HH21 ARG A 7 34.958 50.399 62.889 1.00 31.12 H new ATOM 0 HH22 ARG A 7 33.556 51.353 63.385 1.00 31.12 H new ATOM 119 N SER A 8 36.709 43.254 64.349 1.00 12.12 N ATOM 120 CA SER A 8 36.688 41.807 64.197 1.00 31.43 C ATOM 121 C SER A 8 38.089 41.296 63.865 1.00 35.23 C ATOM 122 O SER A 8 38.722 41.794 62.933 1.00 70.41 O ATOM 123 CB SER A 8 35.707 41.429 63.080 1.00 13.42 C ATOM 124 OG SER A 8 36.021 42.129 61.893 1.00 32.33 O ATOM 0 H SER A 8 37.406 43.712 63.762 1.00 12.12 H new ATOM 0 HA SER A 8 36.364 41.348 65.131 1.00 31.43 H new ATOM 0 HB2 SER A 8 35.748 40.355 62.899 1.00 13.42 H new ATOM 0 HB3 SER A 8 34.688 41.661 63.388 1.00 13.42 H new ATOM 0 HG SER A 8 36.988 42.283 61.850 1.00 32.33 H new ATOM 130 N GLY A 9 38.549 40.275 64.599 1.00 71.43 N ATOM 131 CA GLY A 9 39.764 39.546 64.277 1.00 11.31 C ATOM 132 C GLY A 9 39.546 38.673 63.040 1.00 32.13 C ATOM 133 O GLY A 9 38.410 38.462 62.615 1.00 21.32 O ATOM 0 H GLY A 9 38.079 39.936 65.438 1.00 71.43 H new ATOM 0 HA2 GLY A 9 40.580 40.246 64.097 1.00 11.31 H new ATOM 0 HA3 GLY A 9 40.058 38.924 65.122 1.00 11.31 H new ATOM 137 N HIS A 10 40.642 38.194 62.442 1.00 74.13 N ATOM 138 CA HIS A 10 40.617 37.511 61.155 1.00 54.02 C ATOM 139 C HIS A 10 41.961 36.831 60.893 1.00 21.55 C ATOM 140 O HIS A 10 42.976 37.198 61.484 1.00 71.42 O ATOM 141 CB HIS A 10 40.270 38.511 60.040 1.00 4.42 C ATOM 142 CG HIS A 10 41.044 39.804 60.121 1.00 22.14 C ATOM 143 ND1 HIS A 10 40.583 40.904 60.833 1.00 4.42 N ATOM 144 CD2 HIS A 10 42.267 40.184 59.623 1.00 44.25 C ATOM 145 CE1 HIS A 10 41.515 41.864 60.733 1.00 12.03 C ATOM 146 NE2 HIS A 10 42.570 41.488 60.005 1.00 35.13 N ATOM 0 H HIS A 10 41.576 38.273 62.845 1.00 74.13 H new ATOM 0 HA HIS A 10 39.849 36.738 61.170 1.00 54.02 H new ATOM 0 HB2 HIS A 10 40.460 38.044 59.074 1.00 4.42 H new ATOM 0 HB3 HIS A 10 39.204 38.733 60.082 1.00 4.42 H new ATOM 0 HD1 HIS A 10 39.699 40.970 61.338 1.00 4.42 H new ATOM 0 HD2 HIS A 10 42.906 39.557 59.018 1.00 44.25 H new ATOM 0 HE1 HIS A 10 41.422 42.837 61.192 1.00 12.03 H new ATOM 154 N GLY A 11 41.954 35.831 60.005 1.00 0.44 N ATOM 155 CA GLY A 11 43.126 35.055 59.633 1.00 75.15 C ATOM 156 C GLY A 11 42.760 34.039 58.551 1.00 65.14 C ATOM 157 O GLY A 11 41.690 34.128 57.951 1.00 41.43 O ATOM 0 H GLY A 11 41.108 35.537 59.517 1.00 0.44 H new ATOM 0 HA2 GLY A 11 43.911 35.718 59.270 1.00 75.15 H new ATOM 0 HA3 GLY A 11 43.523 34.540 60.507 1.00 75.15 H new ATOM 161 N GLY A 12 43.653 33.071 58.305 1.00 23.43 N ATOM 162 CA GLY A 12 43.467 32.047 57.287 1.00 43.22 C ATOM 163 C GLY A 12 44.364 30.845 57.576 1.00 31.14 C ATOM 164 O GLY A 12 45.314 30.584 56.838 1.00 23.32 O ATOM 0 H GLY A 12 44.531 32.982 58.816 1.00 23.43 H new ATOM 0 HA2 GLY A 12 42.423 31.733 57.263 1.00 43.22 H new ATOM 0 HA3 GLY A 12 43.700 32.455 56.304 1.00 43.22 H new ATOM 168 N LEU A 13 44.048 30.119 58.655 1.00 31.13 N ATOM 169 CA LEU A 13 44.805 28.967 59.127 1.00 24.30 C ATOM 170 C LEU A 13 44.469 27.745 58.266 1.00 73.24 C ATOM 171 O LEU A 13 43.746 26.845 58.690 1.00 61.45 O ATOM 172 CB LEU A 13 44.508 28.717 60.617 1.00 12.02 C ATOM 173 CG LEU A 13 45.138 29.712 61.611 1.00 15.21 C ATOM 174 CD1 LEU A 13 46.671 29.661 61.590 1.00 32.44 C ATOM 175 CD2 LEU A 13 44.663 31.159 61.432 1.00 23.11 C ATOM 0 H LEU A 13 43.236 30.327 59.236 1.00 31.13 H new ATOM 0 HA LEU A 13 45.873 29.161 59.033 1.00 24.30 H new ATOM 0 HB2 LEU A 13 43.427 28.729 60.758 1.00 12.02 H new ATOM 0 HB3 LEU A 13 44.851 27.714 60.872 1.00 12.02 H new ATOM 0 HG LEU A 13 44.785 29.379 62.587 1.00 15.21 H new ATOM 0 HD11 LEU A 13 47.069 30.380 62.307 1.00 32.44 H new ATOM 0 HD12 LEU A 13 47.005 28.659 61.857 1.00 32.44 H new ATOM 0 HD13 LEU A 13 47.030 29.909 60.591 1.00 32.44 H new ATOM 0 HD21 LEU A 13 45.152 31.796 62.169 1.00 23.11 H new ATOM 0 HD22 LEU A 13 44.916 31.504 60.429 1.00 23.11 H new ATOM 0 HD23 LEU A 13 43.583 31.207 61.571 1.00 23.11 H new ATOM 187 N ASN A 14 45.011 27.731 57.044 1.00 40.01 N ATOM 188 CA ASN A 14 44.847 26.665 56.065 1.00 25.04 C ATOM 189 C ASN A 14 45.792 25.497 56.363 1.00 11.33 C ATOM 190 O ASN A 14 46.739 25.643 57.136 1.00 75.31 O ATOM 191 CB ASN A 14 45.086 27.225 54.654 1.00 22.41 C ATOM 192 CG ASN A 14 46.533 27.664 54.434 1.00 1.53 C ATOM 193 OD1 ASN A 14 47.331 26.912 53.880 1.00 72.12 O ATOM 194 ND2 ASN A 14 46.880 28.882 54.860 1.00 21.51 N ATOM 0 H ASN A 14 45.597 28.493 56.702 1.00 40.01 H new ATOM 0 HA ASN A 14 43.829 26.281 56.124 1.00 25.04 H new ATOM 0 HB2 ASN A 14 44.824 26.466 53.917 1.00 22.41 H new ATOM 0 HB3 ASN A 14 44.423 28.074 54.487 1.00 22.41 H new ATOM 0 HD21 ASN A 14 47.835 29.215 54.729 1.00 21.51 H new ATOM 0 HD22 ASN A 14 46.190 29.479 55.316 1.00 21.51 H new ATOM 201 N GLN A 15 45.532 24.339 55.740 1.00 54.13 N ATOM 202 CA GLN A 15 46.337 23.130 55.870 1.00 71.22 C ATOM 203 C GLN A 15 46.460 22.435 54.511 1.00 23.13 C ATOM 204 O GLN A 15 45.662 22.677 53.606 1.00 12.45 O ATOM 205 CB GLN A 15 45.727 22.188 56.917 1.00 41.10 C ATOM 206 CG GLN A 15 45.736 22.805 58.322 1.00 13.12 C ATOM 207 CD GLN A 15 45.249 21.812 59.372 1.00 1.11 C ATOM 208 OE1 GLN A 15 44.089 21.850 59.776 1.00 54.13 O ATOM 209 NE2 GLN A 15 46.135 20.924 59.827 1.00 65.42 N ATOM 0 H GLN A 15 44.733 24.221 55.117 1.00 54.13 H new ATOM 0 HA GLN A 15 47.336 23.404 56.208 1.00 71.22 H new ATOM 0 HB2 GLN A 15 44.702 21.947 56.634 1.00 41.10 H new ATOM 0 HB3 GLN A 15 46.284 21.251 56.929 1.00 41.10 H new ATOM 0 HG2 GLN A 15 46.746 23.133 58.570 1.00 13.12 H new ATOM 0 HG3 GLN A 15 45.101 23.691 58.335 1.00 13.12 H new ATOM 0 HE21 GLN A 15 47.089 20.925 59.466 1.00 65.42 H new ATOM 0 HE22 GLN A 15 45.858 20.244 60.536 1.00 65.42 H new ATOM 218 N LEU A 16 47.479 21.576 54.375 1.00 41.54 N ATOM 219 CA LEU A 16 47.804 20.875 53.141 1.00 3.01 C ATOM 220 C LEU A 16 46.752 19.810 52.824 1.00 74.45 C ATOM 221 O LEU A 16 46.477 18.944 53.654 1.00 65.34 O ATOM 222 CB LEU A 16 49.198 20.245 53.277 1.00 24.43 C ATOM 223 CG LEU A 16 49.628 19.378 52.079 1.00 13.44 C ATOM 224 CD1 LEU A 16 49.738 20.193 50.785 1.00 35.24 C ATOM 225 CD2 LEU A 16 50.982 18.732 52.387 1.00 45.25 C ATOM 0 H LEU A 16 48.111 21.349 55.143 1.00 41.54 H new ATOM 0 HA LEU A 16 47.807 21.584 52.313 1.00 3.01 H new ATOM 0 HB2 LEU A 16 49.930 21.041 53.415 1.00 24.43 H new ATOM 0 HB3 LEU A 16 49.219 19.633 54.178 1.00 24.43 H new ATOM 0 HG LEU A 16 48.863 18.617 51.926 1.00 13.44 H new ATOM 0 HD11 LEU A 16 50.044 19.539 49.968 1.00 35.24 H new ATOM 0 HD12 LEU A 16 48.770 20.637 50.551 1.00 35.24 H new ATOM 0 HD13 LEU A 16 50.478 20.983 50.914 1.00 35.24 H new ATOM 0 HD21 LEU A 16 51.292 18.117 51.542 1.00 45.25 H new ATOM 0 HD22 LEU A 16 51.725 19.510 52.561 1.00 45.25 H new ATOM 0 HD23 LEU A 16 50.894 18.109 53.277 1.00 45.25 H new ATOM 375 N PRO A 27 38.273 6.712 39.622 1.00 55.34 N ATOM 376 CA PRO A 27 37.326 6.978 38.542 1.00 51.34 C ATOM 377 C PRO A 27 38.066 7.417 37.269 1.00 23.45 C ATOM 378 O PRO A 27 39.293 7.390 37.225 1.00 12.41 O ATOM 379 CB PRO A 27 36.395 8.068 39.087 1.00 20.14 C ATOM 380 CG PRO A 27 37.298 8.841 40.044 1.00 1.40 C ATOM 381 CD PRO A 27 38.156 7.734 40.652 1.00 1.02 C ATOM 0 HA PRO A 27 36.758 6.094 38.253 1.00 51.34 H new ATOM 0 HB2 PRO A 27 36.010 8.706 38.291 1.00 20.14 H new ATOM 0 HB3 PRO A 27 35.532 7.643 39.600 1.00 20.14 H new ATOM 0 HG2 PRO A 27 37.902 9.583 39.522 1.00 1.40 H new ATOM 0 HG3 PRO A 27 36.725 9.373 40.803 1.00 1.40 H new ATOM 0 HD2 PRO A 27 39.137 8.113 40.940 1.00 1.02 H new ATOM 0 HD3 PRO A 27 37.693 7.330 41.553 1.00 1.02 H new ATOM 389 N GLU A 28 37.302 7.810 36.240 1.00 31.14 N ATOM 390 CA GLU A 28 37.722 8.152 34.880 1.00 73.23 C ATOM 391 C GLU A 28 39.092 8.838 34.780 1.00 22.03 C ATOM 392 O GLU A 28 39.903 8.475 33.927 1.00 13.24 O ATOM 393 CB GLU A 28 36.656 9.024 34.209 1.00 75.50 C ATOM 394 CG GLU A 28 35.317 8.291 34.070 1.00 20.25 C ATOM 395 CD GLU A 28 34.412 8.473 35.287 1.00 4.44 C ATOM 396 OE1 GLU A 28 33.722 9.513 35.334 1.00 13.33 O ATOM 397 OE2 GLU A 28 34.443 7.576 36.158 1.00 51.13 O ATOM 0 H GLU A 28 36.292 7.903 36.350 1.00 31.14 H new ATOM 0 HA GLU A 28 37.832 7.200 34.362 1.00 73.23 H new ATOM 0 HB2 GLU A 28 36.512 9.934 34.792 1.00 75.50 H new ATOM 0 HB3 GLU A 28 37.006 9.330 33.223 1.00 75.50 H new ATOM 0 HG2 GLU A 28 34.800 8.654 33.181 1.00 20.25 H new ATOM 0 HG3 GLU A 28 35.504 7.228 33.918 1.00 20.25 H new ATOM 404 N VAL A 29 39.340 9.833 35.643 1.00 40.54 N ATOM 405 CA VAL A 29 40.562 10.634 35.675 1.00 2.34 C ATOM 406 C VAL A 29 41.848 9.799 35.802 1.00 72.01 C ATOM 407 O VAL A 29 42.921 10.301 35.475 1.00 44.55 O ATOM 408 CB VAL A 29 40.437 11.696 36.784 1.00 33.30 C ATOM 409 CG1 VAL A 29 40.543 11.072 38.179 1.00 31.02 C ATOM 410 CG2 VAL A 29 41.478 12.816 36.643 1.00 34.43 C ATOM 0 H VAL A 29 38.670 10.108 36.361 1.00 40.54 H new ATOM 0 HA VAL A 29 40.663 11.130 34.710 1.00 2.34 H new ATOM 0 HB VAL A 29 39.446 12.135 36.666 1.00 33.30 H new ATOM 0 HG11 VAL A 29 40.450 11.852 38.935 1.00 31.02 H new ATOM 0 HG12 VAL A 29 39.745 10.341 38.312 1.00 31.02 H new ATOM 0 HG13 VAL A 29 41.509 10.578 38.284 1.00 31.02 H new ATOM 0 HG21 VAL A 29 41.347 13.538 37.449 1.00 34.43 H new ATOM 0 HG22 VAL A 29 42.480 12.390 36.697 1.00 34.43 H new ATOM 0 HG23 VAL A 29 41.347 13.316 35.683 1.00 34.43 H new ATOM 420 N VAL A 30 41.752 8.533 36.240 1.00 42.44 N ATOM 421 CA VAL A 30 42.856 7.576 36.269 1.00 44.34 C ATOM 422 C VAL A 30 43.628 7.569 34.944 1.00 0.21 C ATOM 423 O VAL A 30 44.857 7.539 34.949 1.00 4.44 O ATOM 424 CB VAL A 30 42.347 6.176 36.666 1.00 30.53 C ATOM 425 CG1 VAL A 30 41.448 5.526 35.605 1.00 65.00 C ATOM 426 CG2 VAL A 30 43.521 5.235 36.964 1.00 3.10 C ATOM 0 H VAL A 30 40.878 8.142 36.592 1.00 42.44 H new ATOM 0 HA VAL A 30 43.567 7.891 37.033 1.00 44.34 H new ATOM 0 HB VAL A 30 41.743 6.329 37.560 1.00 30.53 H new ATOM 0 HG11 VAL A 30 41.127 4.544 35.952 1.00 65.00 H new ATOM 0 HG12 VAL A 30 40.574 6.154 35.435 1.00 65.00 H new ATOM 0 HG13 VAL A 30 42.004 5.418 34.674 1.00 65.00 H new ATOM 0 HG21 VAL A 30 43.139 4.253 37.242 1.00 3.10 H new ATOM 0 HG22 VAL A 30 44.148 5.143 36.077 1.00 3.10 H new ATOM 0 HG23 VAL A 30 44.112 5.640 37.785 1.00 3.10 H new ATOM 436 N ARG A 31 42.899 7.649 33.823 1.00 34.22 N ATOM 437 CA ARG A 31 43.444 7.752 32.478 1.00 53.52 C ATOM 438 C ARG A 31 44.501 8.859 32.400 1.00 41.54 C ATOM 439 O ARG A 31 45.630 8.614 31.983 1.00 0.42 O ATOM 440 CB ARG A 31 42.288 8.030 31.509 1.00 55.01 C ATOM 441 CG ARG A 31 42.730 7.943 30.045 1.00 71.33 C ATOM 442 CD ARG A 31 41.563 8.327 29.131 1.00 20.01 C ATOM 443 NE ARG A 31 41.937 8.223 27.716 1.00 3.20 N ATOM 444 CZ ARG A 31 41.129 8.534 26.689 1.00 52.02 C ATOM 445 NH1 ARG A 31 39.889 8.994 26.910 1.00 43.42 N ATOM 446 NH2 ARG A 31 41.566 8.382 25.432 1.00 51.25 N ATOM 0 H ARG A 31 41.879 7.643 33.837 1.00 34.22 H new ATOM 0 HA ARG A 31 43.936 6.818 32.207 1.00 53.52 H new ATOM 0 HB2 ARG A 31 41.485 7.315 31.688 1.00 55.01 H new ATOM 0 HB3 ARG A 31 41.881 9.022 31.706 1.00 55.01 H new ATOM 0 HG2 ARG A 31 43.576 8.608 29.870 1.00 71.33 H new ATOM 0 HG3 ARG A 31 43.067 6.932 29.816 1.00 71.33 H new ATOM 0 HD2 ARG A 31 40.711 7.677 29.333 1.00 20.01 H new ATOM 0 HD3 ARG A 31 41.246 9.346 29.351 1.00 20.01 H new ATOM 0 HE ARG A 31 42.876 7.891 27.497 1.00 3.20 H new ATOM 0 HH11 ARG A 31 39.551 9.111 27.865 1.00 43.42 H new ATOM 0 HH12 ARG A 31 39.284 9.227 26.123 1.00 43.42 H new ATOM 0 HH21 ARG A 31 42.508 8.032 25.258 1.00 51.25 H new ATOM 0 HH22 ARG A 31 40.957 8.617 24.648 1.00 51.25 H new ATOM 460 N GLN A 32 44.126 10.075 32.809 1.00 53.23 N ATOM 461 CA GLN A 32 44.960 11.262 32.744 1.00 1.34 C ATOM 462 C GLN A 32 45.986 11.305 33.877 1.00 23.20 C ATOM 463 O GLN A 32 47.018 11.945 33.721 1.00 12.40 O ATOM 464 CB GLN A 32 44.086 12.525 32.746 1.00 42.42 C ATOM 465 CG GLN A 32 43.074 12.570 31.590 1.00 62.03 C ATOM 466 CD GLN A 32 43.705 12.318 30.232 1.00 32.11 C ATOM 467 OE1 GLN A 32 43.392 11.331 29.568 1.00 54.41 O ATOM 468 NE2 GLN A 32 44.602 13.203 29.812 1.00 55.34 N ATOM 0 H GLN A 32 43.204 10.258 33.205 1.00 53.23 H new ATOM 0 HA GLN A 32 45.521 11.223 31.810 1.00 1.34 H new ATOM 0 HB2 GLN A 32 43.548 12.584 33.692 1.00 42.42 H new ATOM 0 HB3 GLN A 32 44.729 13.403 32.690 1.00 42.42 H new ATOM 0 HG2 GLN A 32 42.298 11.826 31.766 1.00 62.03 H new ATOM 0 HG3 GLN A 32 42.585 13.544 31.581 1.00 62.03 H new ATOM 0 HE21 GLN A 32 44.834 14.009 30.393 1.00 55.34 H new ATOM 0 HE22 GLN A 32 45.059 13.077 28.909 1.00 55.34 H new ATOM 477 N ARG A 33 45.733 10.630 35.006 1.00 23.13 N ATOM 478 CA ARG A 33 46.711 10.508 36.081 1.00 54.22 C ATOM 479 C ARG A 33 47.925 9.703 35.623 1.00 11.30 C ATOM 480 O ARG A 33 49.050 10.102 35.912 1.00 2.42 O ATOM 481 CB ARG A 33 46.067 9.892 37.329 1.00 15.42 C ATOM 482 CG ARG A 33 45.411 10.974 38.201 1.00 45.43 C ATOM 483 CD ARG A 33 46.283 11.358 39.407 1.00 74.40 C ATOM 484 NE ARG A 33 47.709 11.523 39.080 1.00 3.03 N ATOM 485 CZ ARG A 33 48.288 12.606 38.538 1.00 0.11 C ATOM 486 NH1 ARG A 33 47.568 13.672 38.168 1.00 3.20 N ATOM 487 NH2 ARG A 33 49.612 12.622 38.352 1.00 23.13 N ATOM 0 H ARG A 33 44.849 10.158 35.194 1.00 23.13 H new ATOM 0 HA ARG A 33 47.060 11.506 36.345 1.00 54.22 H new ATOM 0 HB2 ARG A 33 45.319 9.157 37.032 1.00 15.42 H new ATOM 0 HB3 ARG A 33 46.823 9.362 37.908 1.00 15.42 H new ATOM 0 HG2 ARG A 33 45.222 11.860 37.595 1.00 45.43 H new ATOM 0 HG3 ARG A 33 44.444 10.616 38.554 1.00 45.43 H new ATOM 0 HD2 ARG A 33 45.908 12.288 39.834 1.00 74.40 H new ATOM 0 HD3 ARG A 33 46.182 10.591 40.175 1.00 74.40 H new ATOM 0 HE ARG A 33 48.320 10.733 39.287 1.00 3.03 H new ATOM 0 HH11 ARG A 33 46.556 13.673 38.296 1.00 3.20 H new ATOM 0 HH12 ARG A 33 48.031 14.483 37.758 1.00 3.20 H new ATOM 0 HH21 ARG A 33 50.175 11.815 38.621 1.00 23.13 H new ATOM 0 HH22 ARG A 33 50.059 13.441 37.941 1.00 23.13 H new ATOM 501 N ILE A 34 47.705 8.599 34.896 1.00 41.40 N ATOM 502 CA ILE A 34 48.781 7.827 34.280 1.00 20.35 C ATOM 503 C ILE A 34 49.634 8.752 33.407 1.00 21.54 C ATOM 504 O ILE A 34 50.854 8.776 33.549 1.00 23.51 O ATOM 505 CB ILE A 34 48.204 6.652 33.464 1.00 1.00 C ATOM 506 CG1 ILE A 34 47.506 5.632 34.378 1.00 65.41 C ATOM 507 CG2 ILE A 34 49.308 5.938 32.667 1.00 30.04 C ATOM 508 CD1 ILE A 34 46.444 4.827 33.623 1.00 73.43 C ATOM 0 H ILE A 34 46.774 8.220 34.721 1.00 41.40 H new ATOM 0 HA ILE A 34 49.416 7.402 35.057 1.00 20.35 H new ATOM 0 HB ILE A 34 47.474 7.071 32.772 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.248 4.952 34.797 1.00 65.41 H new ATOM 0 HG13 ILE A 34 47.041 6.152 35.215 1.00 65.41 H new ATOM 0 HG21 ILE A 34 48.873 5.114 32.101 1.00 30.04 H new ATOM 0 HG22 ILE A 34 49.775 6.644 31.980 1.00 30.04 H new ATOM 0 HG23 ILE A 34 50.060 5.549 33.354 1.00 30.04 H new ATOM 0 HD11 ILE A 34 45.974 4.117 34.303 1.00 73.43 H new ATOM 0 HD12 ILE A 34 45.688 5.504 33.226 1.00 73.43 H new ATOM 0 HD13 ILE A 34 46.914 4.286 32.802 1.00 73.43 H new ATOM 520 N VAL A 35 48.984 9.513 32.518 1.00 5.12 N ATOM 521 CA VAL A 35 49.638 10.415 31.580 1.00 41.20 C ATOM 522 C VAL A 35 50.462 11.464 32.333 1.00 62.12 C ATOM 523 O VAL A 35 51.670 11.560 32.129 1.00 44.14 O ATOM 524 CB VAL A 35 48.575 11.052 30.661 1.00 73.02 C ATOM 525 CG1 VAL A 35 49.171 12.133 29.753 1.00 41.12 C ATOM 526 CG2 VAL A 35 47.898 9.991 29.781 1.00 33.31 C ATOM 0 H VAL A 35 47.967 9.514 32.434 1.00 5.12 H new ATOM 0 HA VAL A 35 50.335 9.859 30.953 1.00 41.20 H new ATOM 0 HB VAL A 35 47.839 11.512 31.320 1.00 73.02 H new ATOM 0 HG11 VAL A 35 48.386 12.553 29.124 1.00 41.12 H new ATOM 0 HG12 VAL A 35 49.607 12.922 30.365 1.00 41.12 H new ATOM 0 HG13 VAL A 35 49.944 11.693 29.123 1.00 41.12 H new ATOM 0 HG21 VAL A 35 47.154 10.468 29.144 1.00 33.31 H new ATOM 0 HG22 VAL A 35 48.648 9.501 29.159 1.00 33.31 H new ATOM 0 HG23 VAL A 35 47.412 9.249 30.415 1.00 33.31 H new ATOM 536 N ASP A 36 49.805 12.241 33.199 1.00 63.21 N ATOM 537 CA ASP A 36 50.388 13.333 33.968 1.00 3.13 C ATOM 538 C ASP A 36 51.586 12.867 34.791 1.00 12.25 C ATOM 539 O ASP A 36 52.632 13.513 34.788 1.00 24.43 O ATOM 540 CB ASP A 36 49.308 13.920 34.883 1.00 0.41 C ATOM 541 CG ASP A 36 49.832 15.090 35.710 1.00 15.34 C ATOM 542 OD1 ASP A 36 50.341 16.047 35.090 1.00 35.03 O ATOM 543 OD2 ASP A 36 49.710 15.007 36.951 1.00 62.12 O ATOM 0 H ASP A 36 48.810 12.117 33.388 1.00 63.21 H new ATOM 0 HA ASP A 36 50.751 14.095 33.278 1.00 3.13 H new ATOM 0 HB2 ASP A 36 48.463 14.252 34.280 1.00 0.41 H new ATOM 0 HB3 ASP A 36 48.937 13.142 35.550 1.00 0.41 H new ATOM 548 N LEU A 37 51.431 11.748 35.503 1.00 71.03 N ATOM 549 CA LEU A 37 52.502 11.183 36.305 1.00 51.45 C ATOM 550 C LEU A 37 53.665 10.778 35.405 1.00 13.02 C ATOM 551 O LEU A 37 54.765 11.292 35.582 1.00 74.35 O ATOM 552 CB LEU A 37 51.976 10.000 37.134 1.00 12.01 C ATOM 553 CG LEU A 37 52.947 9.523 38.228 1.00 41.44 C ATOM 554 CD1 LEU A 37 52.978 10.497 39.411 1.00 0.20 C ATOM 555 CD2 LEU A 37 52.481 8.157 38.740 1.00 14.22 C ATOM 0 H LEU A 37 50.562 11.216 35.535 1.00 71.03 H new ATOM 0 HA LEU A 37 52.870 11.933 37.005 1.00 51.45 H new ATOM 0 HB2 LEU A 37 51.033 10.286 37.599 1.00 12.01 H new ATOM 0 HB3 LEU A 37 51.761 9.167 36.464 1.00 12.01 H new ATOM 0 HG LEU A 37 53.946 9.465 37.797 1.00 41.44 H new ATOM 0 HD11 LEU A 37 53.674 10.130 40.166 1.00 0.20 H new ATOM 0 HD12 LEU A 37 53.302 11.479 39.066 1.00 0.20 H new ATOM 0 HD13 LEU A 37 51.981 10.575 39.844 1.00 0.20 H new ATOM 0 HD21 LEU A 37 53.162 7.808 39.516 1.00 14.22 H new ATOM 0 HD22 LEU A 37 51.476 8.246 39.152 1.00 14.22 H new ATOM 0 HD23 LEU A 37 52.473 7.443 37.916 1.00 14.22 H new ATOM 567 N ALA A 38 53.415 9.891 34.432 1.00 1.32 N ATOM 568 CA ALA A 38 54.429 9.362 33.528 1.00 10.53 C ATOM 569 C ALA A 38 55.203 10.471 32.811 1.00 34.11 C ATOM 570 O ALA A 38 56.403 10.323 32.585 1.00 21.14 O ATOM 571 CB ALA A 38 53.771 8.423 32.515 1.00 54.31 C ATOM 0 H ALA A 38 52.483 9.518 34.253 1.00 1.32 H new ATOM 0 HA ALA A 38 55.154 8.808 34.125 1.00 10.53 H new ATOM 0 HB1 ALA A 38 54.529 8.028 31.839 1.00 54.31 H new ATOM 0 HB2 ALA A 38 53.290 7.599 33.042 1.00 54.31 H new ATOM 0 HB3 ALA A 38 53.025 8.972 31.941 1.00 54.31 H new ATOM 577 N HIS A 39 54.521 11.573 32.469 1.00 13.33 N ATOM 578 CA HIS A 39 55.079 12.712 31.756 1.00 42.42 C ATOM 579 C HIS A 39 56.359 13.253 32.401 1.00 50.20 C ATOM 580 O HIS A 39 57.289 13.594 31.673 1.00 31.44 O ATOM 581 CB HIS A 39 54.023 13.816 31.623 1.00 33.34 C ATOM 582 CG HIS A 39 54.539 15.059 30.945 1.00 73.51 C ATOM 583 ND1 HIS A 39 54.969 15.064 29.627 1.00 13.54 N ATOM 584 CD2 HIS A 39 54.739 16.340 31.399 1.00 11.22 C ATOM 585 CE1 HIS A 39 55.384 16.311 29.349 1.00 0.41 C ATOM 586 NE2 HIS A 39 55.270 17.139 30.390 1.00 52.11 N ATOM 0 H HIS A 39 53.533 11.692 32.692 1.00 13.33 H new ATOM 0 HA HIS A 39 55.364 12.363 30.764 1.00 42.42 H new ATOM 0 HB2 HIS A 39 53.173 13.430 31.060 1.00 33.34 H new ATOM 0 HB3 HIS A 39 53.655 14.078 32.615 1.00 33.34 H new ATOM 0 HD2 HIS A 39 54.515 16.680 32.399 1.00 11.22 H new ATOM 0 HE1 HIS A 39 55.769 16.612 28.386 1.00 0.41 H new ATOM 0 HE2 HIS A 39 55.515 18.128 30.436 1.00 52.11 H new ATOM 594 N GLN A 40 56.429 13.338 33.740 1.00 62.21 N ATOM 595 CA GLN A 40 57.632 13.864 34.388 1.00 74.40 C ATOM 596 C GLN A 40 58.852 12.944 34.199 1.00 71.32 C ATOM 597 O GLN A 40 59.983 13.399 34.351 1.00 53.21 O ATOM 598 CB GLN A 40 57.364 14.209 35.861 1.00 41.35 C ATOM 599 CG GLN A 40 57.424 12.983 36.774 1.00 13.03 C ATOM 600 CD GLN A 40 56.640 13.184 38.065 1.00 1.44 C ATOM 601 OE1 GLN A 40 57.197 13.581 39.085 1.00 44.31 O ATOM 602 NE2 GLN A 40 55.341 12.889 38.020 1.00 43.45 N ATOM 0 H GLN A 40 55.684 13.056 34.378 1.00 62.21 H new ATOM 0 HA GLN A 40 57.891 14.797 33.887 1.00 74.40 H new ATOM 0 HB2 GLN A 40 58.096 14.943 36.197 1.00 41.35 H new ATOM 0 HB3 GLN A 40 56.382 14.674 35.948 1.00 41.35 H new ATOM 0 HG2 GLN A 40 57.029 12.117 36.243 1.00 13.03 H new ATOM 0 HG3 GLN A 40 58.464 12.762 37.014 1.00 13.03 H new ATOM 0 HE21 GLN A 40 54.922 12.562 37.149 1.00 43.45 H new ATOM 0 HE22 GLN A 40 54.766 12.990 38.856 1.00 43.45 H new ATOM 611 N GLY A 41 58.621 11.669 33.850 1.00 72.34 N ATOM 612 CA GLY A 41 59.644 10.687 33.516 1.00 51.01 C ATOM 613 C GLY A 41 59.715 9.627 34.609 1.00 3.01 C ATOM 614 O GLY A 41 60.636 9.652 35.423 1.00 75.21 O ATOM 0 H GLY A 41 57.677 11.287 33.793 1.00 72.34 H new ATOM 0 HA2 GLY A 41 59.415 10.220 32.558 1.00 51.01 H new ATOM 0 HA3 GLY A 41 60.611 11.178 33.408 1.00 51.01 H new ATOM 618 N VAL A 42 58.730 8.716 34.637 1.00 5.14 N ATOM 619 CA VAL A 42 58.540 7.762 35.725 1.00 11.14 C ATOM 620 C VAL A 42 58.364 6.349 35.162 1.00 11.04 C ATOM 621 O VAL A 42 57.334 6.037 34.566 1.00 13.23 O ATOM 622 CB VAL A 42 57.334 8.166 36.600 1.00 53.21 C ATOM 623 CG1 VAL A 42 57.502 7.633 38.023 1.00 63.11 C ATOM 624 CG2 VAL A 42 57.180 9.679 36.711 1.00 43.03 C ATOM 0 H VAL A 42 58.038 8.625 33.893 1.00 5.14 H new ATOM 0 HA VAL A 42 59.427 7.771 36.358 1.00 11.14 H new ATOM 0 HB VAL A 42 56.455 7.741 36.114 1.00 53.21 H new ATOM 0 HG11 VAL A 42 56.643 7.927 38.626 1.00 63.11 H new ATOM 0 HG12 VAL A 42 57.572 6.546 37.998 1.00 63.11 H new ATOM 0 HG13 VAL A 42 58.411 8.046 38.461 1.00 63.11 H new ATOM 0 HG21 VAL A 42 56.318 9.912 37.336 1.00 43.03 H new ATOM 0 HG22 VAL A 42 58.078 10.104 37.158 1.00 43.03 H new ATOM 0 HG23 VAL A 42 57.033 10.104 35.718 1.00 43.03 H new ATOM 634 N ARG A 43 59.363 5.486 35.380 1.00 75.35 N ATOM 635 CA ARG A 43 59.270 4.050 35.142 1.00 41.30 C ATOM 636 C ARG A 43 58.285 3.433 36.145 1.00 61.11 C ATOM 637 O ARG A 43 58.061 4.024 37.197 1.00 11.22 O ATOM 638 CB ARG A 43 60.664 3.431 35.331 1.00 54.15 C ATOM 639 CG ARG A 43 61.680 4.017 34.347 1.00 43.15 C ATOM 640 CD ARG A 43 63.017 3.281 34.457 1.00 53.11 C ATOM 641 NE ARG A 43 63.983 3.807 33.484 1.00 54.23 N ATOM 642 CZ ARG A 43 65.250 3.381 33.344 1.00 25.30 C ATOM 643 NH1 ARG A 43 65.737 2.405 34.123 1.00 43.41 N ATOM 644 NH2 ARG A 43 66.036 3.940 32.413 1.00 64.33 N ATOM 0 H ARG A 43 60.274 5.777 35.734 1.00 75.35 H new ATOM 0 HA ARG A 43 58.915 3.856 34.130 1.00 41.30 H new ATOM 0 HB2 ARG A 43 61.004 3.604 36.352 1.00 54.15 H new ATOM 0 HB3 ARG A 43 60.605 2.351 35.194 1.00 54.15 H new ATOM 0 HG2 ARG A 43 61.297 3.938 33.329 1.00 43.15 H new ATOM 0 HG3 ARG A 43 61.824 5.078 34.552 1.00 43.15 H new ATOM 0 HD2 ARG A 43 63.415 3.389 35.466 1.00 53.11 H new ATOM 0 HD3 ARG A 43 62.866 2.215 34.286 1.00 53.11 H new ATOM 0 HE ARG A 43 63.668 4.554 32.866 1.00 54.23 H new ATOM 0 HH11 ARG A 43 65.144 1.976 34.833 1.00 43.41 H new ATOM 0 HH12 ARG A 43 66.701 2.092 34.006 1.00 43.41 H new ATOM 0 HH21 ARG A 43 65.671 4.683 31.817 1.00 64.33 H new ATOM 0 HH22 ARG A 43 66.999 3.622 32.301 1.00 64.33 H new ATOM 658 N PRO A 44 57.711 2.247 35.879 1.00 72.34 N ATOM 659 CA PRO A 44 56.846 1.551 36.829 1.00 73.45 C ATOM 660 C PRO A 44 57.510 1.377 38.200 1.00 55.43 C ATOM 661 O PRO A 44 56.897 1.664 39.227 1.00 3.52 O ATOM 662 CB PRO A 44 56.501 0.207 36.179 1.00 51.31 C ATOM 663 CG PRO A 44 57.555 0.028 35.087 1.00 34.43 C ATOM 664 CD PRO A 44 57.853 1.463 34.664 1.00 43.41 C ATOM 0 HA PRO A 44 55.945 2.130 37.032 1.00 73.45 H new ATOM 0 HB2 PRO A 44 56.539 -0.606 36.904 1.00 51.31 H new ATOM 0 HB3 PRO A 44 55.494 0.215 35.761 1.00 51.31 H new ATOM 0 HG2 PRO A 44 58.445 -0.476 35.463 1.00 34.43 H new ATOM 0 HG3 PRO A 44 57.179 -0.569 34.256 1.00 34.43 H new ATOM 0 HD2 PRO A 44 58.858 1.553 34.251 1.00 43.41 H new ATOM 0 HD3 PRO A 44 57.160 1.800 33.893 1.00 43.41 H new ATOM 672 N CYS A 45 58.776 0.946 38.212 1.00 34.33 N ATOM 673 CA CYS A 45 59.581 0.859 39.425 1.00 3.41 C ATOM 674 C CYS A 45 59.746 2.226 40.099 1.00 30.52 C ATOM 675 O CYS A 45 59.763 2.315 41.326 1.00 20.23 O ATOM 676 CB CYS A 45 60.934 0.199 39.121 1.00 54.50 C ATOM 677 SG CYS A 45 61.886 1.125 37.882 1.00 34.11 S ATOM 0 H CYS A 45 59.270 0.647 37.371 1.00 34.33 H new ATOM 0 HA CYS A 45 59.052 0.228 40.139 1.00 3.41 H new ATOM 0 HB2 CYS A 45 61.514 0.124 40.041 1.00 54.50 H new ATOM 0 HB3 CYS A 45 60.768 -0.818 38.764 1.00 54.50 H new ATOM 0 HG CYS A 45 63.018 0.524 37.667 1.00 34.11 H new ATOM 683 N ASP A 46 59.858 3.292 39.299 1.00 11.20 N ATOM 684 CA ASP A 46 60.037 4.645 39.798 1.00 5.40 C ATOM 685 C ASP A 46 58.732 5.199 40.387 1.00 20.15 C ATOM 686 O ASP A 46 58.783 5.990 41.324 1.00 13.03 O ATOM 687 CB ASP A 46 60.632 5.538 38.705 1.00 1.43 C ATOM 688 CG ASP A 46 61.302 6.769 39.304 1.00 75.34 C ATOM 689 OD1 ASP A 46 62.509 6.663 39.608 1.00 54.42 O ATOM 690 OD2 ASP A 46 60.602 7.787 39.481 1.00 72.03 O ATOM 0 H ASP A 46 59.826 3.232 38.281 1.00 11.20 H new ATOM 0 HA ASP A 46 60.752 4.629 40.621 1.00 5.40 H new ATOM 0 HB2 ASP A 46 61.360 4.971 38.124 1.00 1.43 H new ATOM 0 HB3 ASP A 46 59.846 5.847 38.016 1.00 1.43 H new ATOM 695 N ILE A 47 57.564 4.762 39.891 1.00 24.52 N ATOM 696 CA ILE A 47 56.285 5.064 40.525 1.00 61.15 C ATOM 697 C ILE A 47 56.268 4.394 41.897 1.00 65.25 C ATOM 698 O ILE A 47 56.076 5.061 42.912 1.00 71.33 O ATOM 699 CB ILE A 47 55.080 4.591 39.678 1.00 35.21 C ATOM 700 CG1 ILE A 47 55.022 5.317 38.323 1.00 43.24 C ATOM 701 CG2 ILE A 47 53.776 4.832 40.459 1.00 41.15 C ATOM 702 CD1 ILE A 47 53.973 4.743 37.369 1.00 24.32 C ATOM 0 H ILE A 47 57.486 4.195 39.047 1.00 24.52 H new ATOM 0 HA ILE A 47 56.187 6.145 40.620 1.00 61.15 H new ATOM 0 HB ILE A 47 55.201 3.526 39.479 1.00 35.21 H new ATOM 0 HG12 ILE A 47 54.808 6.372 38.494 1.00 43.24 H new ATOM 0 HG13 ILE A 47 56.002 5.263 37.848 1.00 43.24 H new ATOM 0 HG21 ILE A 47 52.927 4.499 39.862 1.00 41.15 H new ATOM 0 HG22 ILE A 47 53.803 4.273 41.394 1.00 41.15 H new ATOM 0 HG23 ILE A 47 53.672 5.895 40.675 1.00 41.15 H new ATOM 0 HD11 ILE A 47 53.987 5.302 36.434 1.00 24.32 H new ATOM 0 HD12 ILE A 47 54.198 3.695 37.169 1.00 24.32 H new ATOM 0 HD13 ILE A 47 52.986 4.822 37.824 1.00 24.32 H new ATOM 714 N SER A 48 56.442 3.067 41.910 1.00 51.43 N ATOM 715 CA SER A 48 56.203 2.249 43.087 1.00 50.41 C ATOM 716 C SER A 48 57.036 2.685 44.292 1.00 62.04 C ATOM 717 O SER A 48 56.529 2.660 45.410 1.00 3.13 O ATOM 718 CB SER A 48 56.431 0.773 42.769 1.00 21.25 C ATOM 719 OG SER A 48 57.792 0.499 42.523 1.00 72.34 O ATOM 0 H SER A 48 56.754 2.536 41.097 1.00 51.43 H new ATOM 0 HA SER A 48 55.159 2.393 43.366 1.00 50.41 H new ATOM 0 HB2 SER A 48 56.081 0.163 43.602 1.00 21.25 H new ATOM 0 HB3 SER A 48 55.840 0.492 41.897 1.00 21.25 H new ATOM 0 HG SER A 48 57.944 -0.468 42.565 1.00 72.34 H new ATOM 725 N ARG A 49 58.297 3.082 44.079 1.00 52.22 N ATOM 726 CA ARG A 49 59.172 3.494 45.169 1.00 50.23 C ATOM 727 C ARG A 49 58.651 4.752 45.876 1.00 12.23 C ATOM 728 O ARG A 49 58.717 4.820 47.102 1.00 21.30 O ATOM 729 CB ARG A 49 60.626 3.643 44.694 1.00 12.34 C ATOM 730 CG ARG A 49 60.806 4.785 43.692 1.00 52.52 C ATOM 731 CD ARG A 49 62.266 4.958 43.270 1.00 73.14 C ATOM 732 NE ARG A 49 62.419 6.128 42.393 1.00 14.24 N ATOM 733 CZ ARG A 49 62.373 7.413 42.784 1.00 62.54 C ATOM 734 NH1 ARG A 49 62.241 7.739 44.077 1.00 72.25 N ATOM 735 NH2 ARG A 49 62.458 8.380 41.862 1.00 71.02 N ATOM 0 H ARG A 49 58.730 3.124 43.156 1.00 52.22 H new ATOM 0 HA ARG A 49 59.164 2.700 45.916 1.00 50.23 H new ATOM 0 HB2 ARG A 49 61.270 3.817 45.556 1.00 12.34 H new ATOM 0 HB3 ARG A 49 60.952 2.709 44.236 1.00 12.34 H new ATOM 0 HG2 ARG A 49 60.195 4.592 42.810 1.00 52.52 H new ATOM 0 HG3 ARG A 49 60.445 5.714 44.133 1.00 52.52 H new ATOM 0 HD2 ARG A 49 62.894 5.075 44.154 1.00 73.14 H new ATOM 0 HD3 ARG A 49 62.609 4.062 42.752 1.00 73.14 H new ATOM 0 HE ARG A 49 62.574 5.949 41.401 1.00 14.24 H new ATOM 0 HH11 ARG A 49 62.174 7.006 44.783 1.00 72.25 H new ATOM 0 HH12 ARG A 49 62.208 8.720 44.355 1.00 72.25 H new ATOM 0 HH21 ARG A 49 62.556 8.137 40.876 1.00 71.02 H new ATOM 0 HH22 ARG A 49 62.424 9.359 42.145 1.00 71.02 H new ATOM 749 N GLN A 50 58.131 5.739 45.128 1.00 14.22 N ATOM 750 CA GLN A 50 57.657 6.996 45.689 1.00 10.04 C ATOM 751 C GLN A 50 56.488 6.776 46.649 1.00 74.21 C ATOM 752 O GLN A 50 56.470 7.344 47.740 1.00 72.22 O ATOM 753 CB GLN A 50 57.252 7.944 44.554 1.00 41.43 C ATOM 754 CG GLN A 50 58.449 8.340 43.685 1.00 11.02 C ATOM 755 CD GLN A 50 58.002 9.231 42.529 1.00 23.54 C ATOM 756 OE1 GLN A 50 58.011 10.454 42.648 1.00 53.30 O ATOM 757 NE2 GLN A 50 57.596 8.623 41.413 1.00 73.31 N ATOM 0 H GLN A 50 58.031 5.678 44.115 1.00 14.22 H new ATOM 0 HA GLN A 50 58.468 7.445 46.263 1.00 10.04 H new ATOM 0 HB2 GLN A 50 56.496 7.464 43.933 1.00 41.43 H new ATOM 0 HB3 GLN A 50 56.797 8.840 44.975 1.00 41.43 H new ATOM 0 HG2 GLN A 50 59.188 8.865 44.291 1.00 11.02 H new ATOM 0 HG3 GLN A 50 58.934 7.445 43.295 1.00 11.02 H new ATOM 0 HE21 GLN A 50 57.604 7.605 41.355 1.00 73.31 H new ATOM 0 HE22 GLN A 50 57.277 9.176 40.618 1.00 73.31 H new ATOM 766 N LEU A 51 55.515 5.951 46.245 1.00 60.05 N ATOM 767 CA LEU A 51 54.346 5.644 47.056 1.00 30.21 C ATOM 768 C LEU A 51 54.698 4.599 48.123 1.00 65.04 C ATOM 769 O LEU A 51 54.057 4.570 49.172 1.00 34.53 O ATOM 770 CB LEU A 51 53.187 5.158 46.167 1.00 3.32 C ATOM 771 CG LEU A 51 52.483 6.220 45.297 1.00 40.25 C ATOM 772 CD1 LEU A 51 51.897 7.370 46.124 1.00 44.11 C ATOM 773 CD2 LEU A 51 53.359 6.776 44.170 1.00 61.11 C ATOM 0 H LEU A 51 55.523 5.479 45.341 1.00 60.05 H new ATOM 0 HA LEU A 51 54.023 6.553 47.564 1.00 30.21 H new ATOM 0 HB2 LEU A 51 53.569 4.378 45.508 1.00 3.32 H new ATOM 0 HB3 LEU A 51 52.438 4.694 46.809 1.00 3.32 H new ATOM 0 HG LEU A 51 51.661 5.679 44.829 1.00 40.25 H new ATOM 0 HD11 LEU A 51 51.414 8.087 45.460 1.00 44.11 H new ATOM 0 HD12 LEU A 51 51.163 6.976 46.827 1.00 44.11 H new ATOM 0 HD13 LEU A 51 52.696 7.867 46.674 1.00 44.11 H new ATOM 0 HD21 LEU A 51 52.795 7.517 43.603 1.00 61.11 H new ATOM 0 HD22 LEU A 51 54.246 7.244 44.596 1.00 61.11 H new ATOM 0 HD23 LEU A 51 53.659 5.964 43.508 1.00 61.11 H new ATOM 785 N ARG A 52 55.714 3.768 47.853 1.00 41.53 N ATOM 786 CA ARG A 52 56.209 2.668 48.671 1.00 50.20 C ATOM 787 C ARG A 52 55.259 1.473 48.541 1.00 43.33 C ATOM 788 O ARG A 52 54.589 1.090 49.499 1.00 64.52 O ATOM 789 CB ARG A 52 56.457 3.078 50.132 1.00 44.32 C ATOM 790 CG ARG A 52 57.370 4.308 50.265 1.00 71.51 C ATOM 791 CD ARG A 52 57.035 5.100 51.532 1.00 61.33 C ATOM 792 NE ARG A 52 55.692 5.691 51.436 1.00 72.35 N ATOM 793 CZ ARG A 52 55.122 6.476 52.365 1.00 4.04 C ATOM 794 NH1 ARG A 52 55.772 6.787 53.495 1.00 44.00 N ATOM 795 NH2 ARG A 52 53.886 6.949 52.156 1.00 31.31 N ATOM 0 H ARG A 52 56.248 3.860 46.989 1.00 41.53 H new ATOM 0 HA ARG A 52 57.189 2.372 48.298 1.00 50.20 H new ATOM 0 HB2 ARG A 52 55.501 3.289 50.612 1.00 44.32 H new ATOM 0 HB3 ARG A 52 56.905 2.241 50.667 1.00 44.32 H new ATOM 0 HG2 ARG A 52 58.413 3.991 50.294 1.00 71.51 H new ATOM 0 HG3 ARG A 52 57.255 4.948 49.390 1.00 71.51 H new ATOM 0 HD2 ARG A 52 57.088 4.444 52.401 1.00 61.33 H new ATOM 0 HD3 ARG A 52 57.774 5.887 51.681 1.00 61.33 H new ATOM 0 HE ARG A 52 55.150 5.489 50.596 1.00 72.35 H new ATOM 0 HH11 ARG A 52 56.712 6.426 53.658 1.00 44.00 H new ATOM 0 HH12 ARG A 52 55.327 7.384 54.192 1.00 44.00 H new ATOM 0 HH21 ARG A 52 53.388 6.712 51.298 1.00 31.31 H new ATOM 0 HH22 ARG A 52 53.443 7.546 52.855 1.00 31.31 H new ATOM 809 N VAL A 53 55.189 0.921 47.324 1.00 33.43 N ATOM 810 CA VAL A 53 54.176 -0.040 46.892 1.00 31.12 C ATOM 811 C VAL A 53 54.797 -1.315 46.303 1.00 21.14 C ATOM 812 O VAL A 53 54.124 -2.343 46.237 1.00 43.51 O ATOM 813 CB VAL A 53 53.234 0.672 45.900 1.00 5.43 C ATOM 814 CG1 VAL A 53 52.294 -0.285 45.163 1.00 73.41 C ATOM 815 CG2 VAL A 53 52.372 1.706 46.636 1.00 5.22 C ATOM 0 H VAL A 53 55.862 1.141 46.589 1.00 33.43 H new ATOM 0 HA VAL A 53 53.602 -0.381 47.754 1.00 31.12 H new ATOM 0 HB VAL A 53 53.883 1.146 45.164 1.00 5.43 H new ATOM 0 HG11 VAL A 53 51.659 0.281 44.481 1.00 73.41 H new ATOM 0 HG12 VAL A 53 52.881 -1.007 44.596 1.00 73.41 H new ATOM 0 HG13 VAL A 53 51.671 -0.812 45.886 1.00 73.41 H new ATOM 0 HG21 VAL A 53 51.711 2.202 45.925 1.00 5.22 H new ATOM 0 HG22 VAL A 53 51.775 1.205 47.398 1.00 5.22 H new ATOM 0 HG23 VAL A 53 53.017 2.447 47.109 1.00 5.22 H new ATOM 825 N SER A 54 56.060 -1.246 45.867 1.00 41.21 N ATOM 826 CA SER A 54 56.799 -2.306 45.183 1.00 2.53 C ATOM 827 C SER A 54 56.306 -2.472 43.742 1.00 2.23 C ATOM 828 O SER A 54 57.058 -2.191 42.811 1.00 13.24 O ATOM 829 CB SER A 54 56.807 -3.622 45.977 1.00 45.13 C ATOM 830 OG SER A 54 57.718 -4.531 45.398 1.00 44.12 O ATOM 0 H SER A 54 56.621 -0.403 45.990 1.00 41.21 H new ATOM 0 HA SER A 54 57.844 -2.001 45.127 1.00 2.53 H new ATOM 0 HB2 SER A 54 57.083 -3.429 47.014 1.00 45.13 H new ATOM 0 HB3 SER A 54 55.807 -4.055 45.989 1.00 45.13 H new ATOM 0 HG SER A 54 57.718 -5.366 45.911 1.00 44.12 H new ATOM 836 N HIS A 55 55.040 -2.875 43.560 1.00 51.34 N ATOM 837 CA HIS A 55 54.365 -2.860 42.261 1.00 72.42 C ATOM 838 C HIS A 55 52.841 -3.064 42.352 1.00 3.43 C ATOM 839 O HIS A 55 52.166 -2.934 41.335 1.00 42.45 O ATOM 840 CB HIS A 55 54.983 -3.895 41.301 1.00 2.45 C ATOM 841 CG HIS A 55 54.851 -3.498 39.852 1.00 51.10 C ATOM 842 ND1 HIS A 55 53.750 -3.834 39.079 1.00 42.24 N ATOM 843 CD2 HIS A 55 55.662 -2.761 39.021 1.00 44.43 C ATOM 844 CE1 HIS A 55 53.936 -3.301 37.860 1.00 53.10 C ATOM 845 NE2 HIS A 55 55.088 -2.637 37.760 1.00 72.24 N ATOM 0 H HIS A 55 54.454 -3.223 44.319 1.00 51.34 H new ATOM 0 HA HIS A 55 54.522 -1.858 41.863 1.00 72.42 H new ATOM 0 HB2 HIS A 55 56.038 -4.024 41.543 1.00 2.45 H new ATOM 0 HB3 HIS A 55 54.500 -4.860 41.454 1.00 2.45 H new ATOM 0 HD1 HIS A 55 52.946 -4.385 39.381 1.00 42.24 H new ATOM 0 HD2 HIS A 55 56.613 -2.337 39.308 1.00 44.43 H new ATOM 0 HE1 HIS A 55 53.229 -3.400 37.049 1.00 53.10 H new ATOM 853 N GLY A 56 52.293 -3.400 43.532 1.00 43.24 N ATOM 854 CA GLY A 56 50.904 -3.807 43.730 1.00 31.30 C ATOM 855 C GLY A 56 49.879 -2.975 42.952 1.00 44.02 C ATOM 856 O GLY A 56 49.132 -3.517 42.140 1.00 23.43 O ATOM 0 H GLY A 56 52.829 -3.393 44.400 1.00 43.24 H new ATOM 0 HA2 GLY A 56 50.800 -4.852 43.439 1.00 31.30 H new ATOM 0 HA3 GLY A 56 50.670 -3.747 44.793 1.00 31.30 H new ATOM 860 N CYS A 57 49.847 -1.660 43.199 1.00 54.33 N ATOM 861 CA CYS A 57 48.929 -0.748 42.522 1.00 64.20 C ATOM 862 C CYS A 57 49.379 -0.511 41.081 1.00 2.51 C ATOM 863 O CYS A 57 48.543 -0.454 40.181 1.00 21.10 O ATOM 864 CB CYS A 57 48.816 0.586 43.273 1.00 55.50 C ATOM 865 SG CYS A 57 48.072 0.350 44.912 1.00 60.32 S ATOM 0 H CYS A 57 50.459 -1.202 43.875 1.00 54.33 H new ATOM 0 HA CYS A 57 47.943 -1.212 42.511 1.00 64.20 H new ATOM 0 HB2 CYS A 57 49.805 1.032 43.380 1.00 55.50 H new ATOM 0 HB3 CYS A 57 48.212 1.284 42.693 1.00 55.50 H new ATOM 0 HG CYS A 57 47.993 1.495 45.522 1.00 60.32 H new ATOM 871 N VAL A 58 50.694 -0.374 40.865 1.00 25.31 N ATOM 872 CA VAL A 58 51.283 -0.088 39.564 1.00 64.24 C ATOM 873 C VAL A 58 50.822 -1.104 38.513 1.00 13.25 C ATOM 874 O VAL A 58 50.515 -0.704 37.395 1.00 41.24 O ATOM 875 CB VAL A 58 52.816 0.009 39.679 1.00 24.02 C ATOM 876 CG1 VAL A 58 53.463 0.403 38.346 1.00 20.10 C ATOM 877 CG2 VAL A 58 53.202 1.066 40.725 1.00 52.24 C ATOM 0 H VAL A 58 51.386 -0.462 41.609 1.00 25.31 H new ATOM 0 HA VAL A 58 50.929 0.884 39.220 1.00 64.24 H new ATOM 0 HB VAL A 58 53.176 -0.977 39.973 1.00 24.02 H new ATOM 0 HG11 VAL A 58 54.544 0.461 38.469 1.00 20.10 H new ATOM 0 HG12 VAL A 58 53.223 -0.345 37.590 1.00 20.10 H new ATOM 0 HG13 VAL A 58 53.082 1.374 38.029 1.00 20.10 H new ATOM 0 HG21 VAL A 58 54.288 1.126 40.798 1.00 52.24 H new ATOM 0 HG22 VAL A 58 52.804 2.036 40.426 1.00 52.24 H new ATOM 0 HG23 VAL A 58 52.788 0.787 41.694 1.00 52.24 H new ATOM 887 N SER A 59 50.714 -2.392 38.870 1.00 24.41 N ATOM 888 CA SER A 59 50.158 -3.438 38.028 1.00 2.45 C ATOM 889 C SER A 59 48.815 -3.025 37.415 1.00 32.32 C ATOM 890 O SER A 59 48.642 -3.078 36.198 1.00 44.55 O ATOM 891 CB SER A 59 49.978 -4.692 38.887 1.00 31.34 C ATOM 892 OG SER A 59 51.194 -5.079 39.485 1.00 21.35 O ATOM 0 H SER A 59 51.022 -2.735 39.780 1.00 24.41 H new ATOM 0 HA SER A 59 50.841 -3.628 37.200 1.00 2.45 H new ATOM 0 HB2 SER A 59 49.234 -4.502 39.660 1.00 31.34 H new ATOM 0 HB3 SER A 59 49.597 -5.507 38.271 1.00 31.34 H new ATOM 0 HG SER A 59 51.050 -5.881 40.029 1.00 21.35 H new ATOM 898 N LYS A 60 47.869 -2.621 38.268 1.00 54.31 N ATOM 899 CA LYS A 60 46.517 -2.253 37.876 1.00 74.40 C ATOM 900 C LYS A 60 46.531 -0.965 37.052 1.00 25.31 C ATOM 901 O LYS A 60 45.936 -0.908 35.978 1.00 41.21 O ATOM 902 CB LYS A 60 45.644 -2.084 39.130 1.00 12.41 C ATOM 903 CG LYS A 60 45.565 -3.338 40.015 1.00 44.13 C ATOM 904 CD LYS A 60 44.858 -4.504 39.316 1.00 71.23 C ATOM 905 CE LYS A 60 44.657 -5.665 40.295 1.00 75.33 C ATOM 906 NZ LYS A 60 43.918 -6.780 39.674 1.00 52.23 N ATOM 0 H LYS A 60 48.032 -2.541 39.272 1.00 54.31 H new ATOM 0 HA LYS A 60 46.097 -3.046 37.257 1.00 74.40 H new ATOM 0 HB2 LYS A 60 46.036 -1.258 39.723 1.00 12.41 H new ATOM 0 HB3 LYS A 60 44.636 -1.806 38.823 1.00 12.41 H new ATOM 0 HG2 LYS A 60 46.572 -3.644 40.297 1.00 44.13 H new ATOM 0 HG3 LYS A 60 45.036 -3.096 40.937 1.00 44.13 H new ATOM 0 HD2 LYS A 60 43.894 -4.174 38.929 1.00 71.23 H new ATOM 0 HD3 LYS A 60 45.448 -4.837 38.462 1.00 71.23 H new ATOM 0 HE2 LYS A 60 45.627 -6.020 40.643 1.00 75.33 H new ATOM 0 HE3 LYS A 60 44.114 -5.312 41.172 1.00 75.33 H new ATOM 0 HZ1 LYS A 60 43.801 -7.547 40.366 1.00 52.23 H new ATOM 0 HZ2 LYS A 60 42.983 -6.447 39.365 1.00 52.23 H new ATOM 0 HZ3 LYS A 60 44.449 -7.133 38.852 1.00 52.23 H new ATOM 920 N ILE A 61 47.207 0.066 37.569 1.00 51.45 N ATOM 921 CA ILE A 61 47.234 1.400 36.987 1.00 41.10 C ATOM 922 C ILE A 61 47.842 1.367 35.577 1.00 51.52 C ATOM 923 O ILE A 61 47.232 1.876 34.639 1.00 33.41 O ATOM 924 CB ILE A 61 47.965 2.358 37.949 1.00 1.13 C ATOM 925 CG1 ILE A 61 47.226 2.527 39.294 1.00 11.23 C ATOM 926 CG2 ILE A 61 48.201 3.730 37.309 1.00 72.52 C ATOM 927 CD1 ILE A 61 45.896 3.288 39.210 1.00 13.50 C ATOM 0 H ILE A 61 47.761 -0.011 38.422 1.00 51.45 H new ATOM 0 HA ILE A 61 46.219 1.777 36.861 1.00 41.10 H new ATOM 0 HB ILE A 61 48.930 1.895 38.155 1.00 1.13 H new ATOM 0 HG12 ILE A 61 47.037 1.539 39.714 1.00 11.23 H new ATOM 0 HG13 ILE A 61 47.883 3.049 39.990 1.00 11.23 H new ATOM 0 HG21 ILE A 61 48.718 4.378 38.017 1.00 72.52 H new ATOM 0 HG22 ILE A 61 48.810 3.613 36.412 1.00 72.52 H new ATOM 0 HG23 ILE A 61 47.243 4.176 37.042 1.00 72.52 H new ATOM 0 HD11 ILE A 61 45.452 3.356 40.203 1.00 13.50 H new ATOM 0 HD12 ILE A 61 46.075 4.291 38.823 1.00 13.50 H new ATOM 0 HD13 ILE A 61 45.215 2.758 38.544 1.00 13.50 H new ATOM 939 N LEU A 62 49.018 0.752 35.410 1.00 74.34 N ATOM 940 CA LEU A 62 49.647 0.590 34.100 1.00 21.01 C ATOM 941 C LEU A 62 48.847 -0.376 33.222 1.00 64.31 C ATOM 942 O LEU A 62 48.856 -0.220 32.003 1.00 42.54 O ATOM 943 CB LEU A 62 51.104 0.118 34.233 1.00 12.21 C ATOM 944 CG LEU A 62 52.123 1.234 34.531 1.00 24.42 C ATOM 945 CD1 LEU A 62 52.464 2.037 33.270 1.00 62.32 C ATOM 946 CD2 LEU A 62 51.670 2.201 35.628 1.00 31.25 C ATOM 0 H LEU A 62 49.557 0.354 36.179 1.00 74.34 H new ATOM 0 HA LEU A 62 49.653 1.567 33.617 1.00 21.01 H new ATOM 0 HB2 LEU A 62 51.159 -0.625 35.028 1.00 12.21 H new ATOM 0 HB3 LEU A 62 51.394 -0.382 33.309 1.00 12.21 H new ATOM 0 HG LEU A 62 53.010 0.714 34.892 1.00 24.42 H new ATOM 0 HD11 LEU A 62 53.185 2.815 33.518 1.00 62.32 H new ATOM 0 HD12 LEU A 62 52.892 1.372 32.520 1.00 62.32 H new ATOM 0 HD13 LEU A 62 51.558 2.495 32.874 1.00 62.32 H new ATOM 0 HD21 LEU A 62 52.437 2.960 35.784 1.00 31.25 H new ATOM 0 HD22 LEU A 62 50.739 2.682 35.327 1.00 31.25 H new ATOM 0 HD23 LEU A 62 51.510 1.651 36.555 1.00 31.25 H new ATOM 958 N GLY A 63 48.138 -1.345 33.818 1.00 22.44 N ATOM 959 CA GLY A 63 47.255 -2.252 33.098 1.00 33.24 C ATOM 960 C GLY A 63 45.893 -1.611 32.826 1.00 3.03 C ATOM 961 O GLY A 63 44.858 -2.211 33.116 1.00 44.00 O ATOM 0 H GLY A 63 48.167 -1.517 34.823 1.00 22.44 H new ATOM 0 HA2 GLY A 63 47.718 -2.539 32.154 1.00 33.24 H new ATOM 0 HA3 GLY A 63 47.119 -3.165 33.677 1.00 33.24 H new ATOM 1314 N LYS A 87 0.712 -0.762 1.512 1.00 10.23 N ATOM 1315 CA LYS A 87 -0.035 -2.007 1.409 1.00 21.41 C ATOM 1316 C LYS A 87 -1.228 -2.049 2.373 1.00 12.03 C ATOM 1317 O LYS A 87 -2.196 -2.755 2.102 1.00 50.22 O ATOM 1318 CB LYS A 87 0.912 -3.185 1.644 1.00 24.34 C ATOM 1319 CG LYS A 87 1.945 -3.305 0.512 1.00 71.13 C ATOM 1320 CD LYS A 87 2.777 -4.589 0.616 1.00 71.32 C ATOM 1321 CE LYS A 87 3.754 -4.561 1.797 1.00 71.55 C ATOM 1322 NZ LYS A 87 4.553 -5.798 1.866 1.00 73.11 N ATOM 0 HA LYS A 87 -0.453 -2.075 0.405 1.00 21.41 H new ATOM 0 HB2 LYS A 87 1.426 -3.057 2.596 1.00 24.34 H new ATOM 0 HB3 LYS A 87 0.337 -4.108 1.714 1.00 24.34 H new ATOM 0 HG2 LYS A 87 1.431 -3.285 -0.449 1.00 71.13 H new ATOM 0 HG3 LYS A 87 2.609 -2.441 0.537 1.00 71.13 H new ATOM 0 HD2 LYS A 87 2.109 -5.444 0.722 1.00 71.32 H new ATOM 0 HD3 LYS A 87 3.335 -4.733 -0.309 1.00 71.32 H new ATOM 0 HE2 LYS A 87 4.418 -3.702 1.701 1.00 71.55 H new ATOM 0 HE3 LYS A 87 3.199 -4.432 2.727 1.00 71.55 H new ATOM 0 HZ1 LYS A 87 5.204 -5.746 2.676 1.00 73.11 H new ATOM 0 HZ2 LYS A 87 3.919 -6.614 1.982 1.00 73.11 H new ATOM 0 HZ3 LYS A 87 5.101 -5.907 0.989 1.00 73.11 H new ATOM 1336 N VAL A 88 -1.177 -1.275 3.468 1.00 42.42 N ATOM 1337 CA VAL A 88 -2.296 -1.031 4.369 1.00 64.02 C ATOM 1338 C VAL A 88 -3.529 -0.575 3.581 1.00 32.41 C ATOM 1339 O VAL A 88 -4.610 -1.131 3.763 1.00 1.32 O ATOM 1340 CB VAL A 88 -1.888 -0.002 5.439 1.00 21.14 C ATOM 1341 CG1 VAL A 88 -3.064 0.369 6.351 1.00 21.23 C ATOM 1342 CG2 VAL A 88 -0.761 -0.556 6.321 1.00 22.22 C ATOM 0 H VAL A 88 -0.326 -0.790 3.753 1.00 42.42 H new ATOM 0 HA VAL A 88 -2.561 -1.958 4.877 1.00 64.02 H new ATOM 0 HB VAL A 88 -1.553 0.886 4.904 1.00 21.14 H new ATOM 0 HG11 VAL A 88 -2.734 1.097 7.092 1.00 21.23 H new ATOM 0 HG12 VAL A 88 -3.867 0.799 5.752 1.00 21.23 H new ATOM 0 HG13 VAL A 88 -3.428 -0.525 6.858 1.00 21.23 H new ATOM 0 HG21 VAL A 88 -0.487 0.186 7.071 1.00 22.22 H new ATOM 0 HG22 VAL A 88 -1.101 -1.465 6.818 1.00 22.22 H new ATOM 0 HG23 VAL A 88 0.107 -0.784 5.702 1.00 22.22 H new ATOM 1352 N VAL A 89 -3.368 0.417 2.696 1.00 33.24 N ATOM 1353 CA VAL A 89 -4.443 0.895 1.832 1.00 35.51 C ATOM 1354 C VAL A 89 -4.962 -0.254 0.965 1.00 42.24 C ATOM 1355 O VAL A 89 -6.172 -0.447 0.850 1.00 54.00 O ATOM 1356 CB VAL A 89 -3.967 2.078 0.967 1.00 4.11 C ATOM 1357 CG1 VAL A 89 -5.112 2.602 0.090 1.00 23.33 C ATOM 1358 CG2 VAL A 89 -3.448 3.228 1.842 1.00 2.43 C ATOM 0 H VAL A 89 -2.484 0.909 2.562 1.00 33.24 H new ATOM 0 HA VAL A 89 -5.262 1.255 2.454 1.00 35.51 H new ATOM 0 HB VAL A 89 -3.157 1.714 0.335 1.00 4.11 H new ATOM 0 HG11 VAL A 89 -4.756 3.437 -0.513 1.00 23.33 H new ATOM 0 HG12 VAL A 89 -5.463 1.805 -0.565 1.00 23.33 H new ATOM 0 HG13 VAL A 89 -5.932 2.937 0.725 1.00 23.33 H new ATOM 0 HG21 VAL A 89 -3.119 4.049 1.206 1.00 2.43 H new ATOM 0 HG22 VAL A 89 -4.246 3.575 2.498 1.00 2.43 H new ATOM 0 HG23 VAL A 89 -2.610 2.877 2.444 1.00 2.43 H new ATOM 1368 N GLU A 90 -4.046 -1.031 0.376 1.00 72.33 N ATOM 1369 CA GLU A 90 -4.397 -2.137 -0.502 1.00 4.35 C ATOM 1370 C GLU A 90 -4.843 -3.393 0.260 1.00 24.34 C ATOM 1371 O GLU A 90 -5.011 -4.437 -0.364 1.00 71.04 O ATOM 1372 CB GLU A 90 -3.255 -2.432 -1.479 1.00 22.02 C ATOM 1373 CG GLU A 90 -2.992 -1.215 -2.372 1.00 72.33 C ATOM 1374 CD GLU A 90 -1.965 -1.538 -3.448 1.00 33.12 C ATOM 1375 OE1 GLU A 90 -0.759 -1.381 -3.157 1.00 24.24 O ATOM 1376 OE2 GLU A 90 -2.413 -1.948 -4.541 1.00 12.33 O ATOM 0 H GLU A 90 -3.041 -0.905 0.499 1.00 72.33 H new ATOM 0 HA GLU A 90 -5.267 -1.824 -1.079 1.00 4.35 H new ATOM 0 HB2 GLU A 90 -2.351 -2.688 -0.926 1.00 22.02 H new ATOM 0 HB3 GLU A 90 -3.508 -3.295 -2.094 1.00 22.02 H new ATOM 0 HG2 GLU A 90 -3.923 -0.894 -2.838 1.00 72.33 H new ATOM 0 HG3 GLU A 90 -2.637 -0.383 -1.764 1.00 72.33 H new ATOM 1383 N LYS A 91 -5.110 -3.301 1.573 1.00 73.00 N ATOM 1384 CA LYS A 91 -5.906 -4.310 2.256 1.00 0.41 C ATOM 1385 C LYS A 91 -7.335 -4.179 1.736 1.00 54.50 C ATOM 1386 O LYS A 91 -7.859 -5.121 1.149 1.00 61.45 O ATOM 1387 CB LYS A 91 -5.842 -4.144 3.781 1.00 74.45 C ATOM 1388 CG LYS A 91 -4.433 -4.424 4.317 1.00 73.03 C ATOM 1389 CD LYS A 91 -4.406 -4.285 5.843 1.00 15.22 C ATOM 1390 CE LYS A 91 -3.058 -4.751 6.400 1.00 3.51 C ATOM 1391 NZ LYS A 91 -3.026 -4.674 7.871 1.00 23.11 N ATOM 0 H LYS A 91 -4.785 -2.541 2.171 1.00 73.00 H new ATOM 0 HA LYS A 91 -5.516 -5.307 2.050 1.00 0.41 H new ATOM 0 HB2 LYS A 91 -6.141 -3.131 4.051 1.00 74.45 H new ATOM 0 HB3 LYS A 91 -6.553 -4.822 4.252 1.00 74.45 H new ATOM 0 HG2 LYS A 91 -4.121 -5.429 4.031 1.00 73.03 H new ATOM 0 HG3 LYS A 91 -3.722 -3.730 3.869 1.00 73.03 H new ATOM 0 HD2 LYS A 91 -4.582 -3.246 6.123 1.00 15.22 H new ATOM 0 HD3 LYS A 91 -5.211 -4.874 6.282 1.00 15.22 H new ATOM 0 HE2 LYS A 91 -2.868 -5.777 6.084 1.00 3.51 H new ATOM 0 HE3 LYS A 91 -2.259 -4.136 5.985 1.00 3.51 H new ATOM 0 HZ1 LYS A 91 -2.099 -4.997 8.215 1.00 23.11 H new ATOM 0 HZ2 LYS A 91 -3.184 -3.691 8.171 1.00 23.11 H new ATOM 0 HZ3 LYS A 91 -3.773 -5.280 8.267 1.00 23.11 H new ATOM 1405 N ILE A 92 -7.922 -2.983 1.884 1.00 51.44 N ATOM 1406 CA ILE A 92 -9.216 -2.623 1.316 1.00 1.31 C ATOM 1407 C ILE A 92 -9.227 -2.906 -0.189 1.00 55.34 C ATOM 1408 O ILE A 92 -10.222 -3.401 -0.713 1.00 52.14 O ATOM 1409 CB ILE A 92 -9.550 -1.144 1.606 1.00 0.44 C ATOM 1410 CG1 ILE A 92 -9.484 -0.822 3.111 1.00 14.42 C ATOM 1411 CG2 ILE A 92 -10.952 -0.806 1.076 1.00 52.12 C ATOM 1412 CD1 ILE A 92 -8.229 -0.019 3.478 1.00 42.53 C ATOM 0 H ILE A 92 -7.494 -2.225 2.416 1.00 51.44 H new ATOM 0 HA ILE A 92 -9.986 -3.234 1.786 1.00 1.31 H new ATOM 0 HB ILE A 92 -8.801 -0.537 1.097 1.00 0.44 H new ATOM 0 HG12 ILE A 92 -10.371 -0.258 3.399 1.00 14.42 H new ATOM 0 HG13 ILE A 92 -9.498 -1.751 3.680 1.00 14.42 H new ATOM 0 HG21 ILE A 92 -11.178 0.240 1.286 1.00 52.12 H new ATOM 0 HG22 ILE A 92 -10.985 -0.976 -0.000 1.00 52.12 H new ATOM 0 HG23 ILE A 92 -11.689 -1.442 1.566 1.00 52.12 H new ATOM 0 HD11 ILE A 92 -8.227 0.184 4.549 1.00 42.53 H new ATOM 0 HD12 ILE A 92 -7.340 -0.593 3.216 1.00 42.53 H new ATOM 0 HD13 ILE A 92 -8.227 0.923 2.930 1.00 42.53 H new ATOM 1424 N GLY A 93 -8.107 -2.612 -0.866 1.00 71.54 N ATOM 1425 CA GLY A 93 -7.891 -2.957 -2.262 1.00 73.25 C ATOM 1426 C GLY A 93 -8.123 -4.449 -2.494 1.00 20.35 C ATOM 1427 O GLY A 93 -9.175 -4.827 -3.000 1.00 64.42 O ATOM 0 H GLY A 93 -7.319 -2.120 -0.444 1.00 71.54 H new ATOM 0 HA2 GLY A 93 -8.565 -2.377 -2.893 1.00 73.25 H new ATOM 0 HA3 GLY A 93 -6.875 -2.693 -2.554 1.00 73.25 H new ATOM 1431 N ASP A 94 -7.149 -5.289 -2.124 1.00 52.20 N ATOM 1432 CA ASP A 94 -7.165 -6.734 -2.344 1.00 21.41 C ATOM 1433 C ASP A 94 -8.463 -7.402 -1.901 1.00 73.31 C ATOM 1434 O ASP A 94 -8.923 -8.330 -2.563 1.00 54.35 O ATOM 1435 CB ASP A 94 -5.971 -7.388 -1.651 1.00 34.55 C ATOM 1436 CG ASP A 94 -4.625 -7.023 -2.283 1.00 41.05 C ATOM 1437 OD1 ASP A 94 -4.631 -6.316 -3.320 1.00 23.53 O ATOM 1438 OD2 ASP A 94 -3.607 -7.469 -1.718 1.00 0.10 O ATOM 0 H ASP A 94 -6.305 -4.969 -1.650 1.00 52.20 H new ATOM 0 HA ASP A 94 -7.095 -6.882 -3.422 1.00 21.41 H new ATOM 0 HB2 ASP A 94 -5.963 -7.093 -0.602 1.00 34.55 H new ATOM 0 HB3 ASP A 94 -6.094 -8.471 -1.677 1.00 34.55 H new ATOM 1443 N TYR A 95 -9.051 -6.947 -0.790 1.00 1.44 N ATOM 1444 CA TYR A 95 -10.344 -7.417 -0.322 1.00 63.35 C ATOM 1445 C TYR A 95 -11.378 -7.384 -1.447 1.00 72.40 C ATOM 1446 O TYR A 95 -11.906 -8.428 -1.827 1.00 30.52 O ATOM 1447 CB TYR A 95 -10.825 -6.565 0.860 1.00 4.33 C ATOM 1448 CG TYR A 95 -10.073 -6.677 2.174 1.00 44.44 C ATOM 1449 CD1 TYR A 95 -9.030 -7.610 2.376 1.00 10.35 C ATOM 1450 CD2 TYR A 95 -10.441 -5.810 3.216 1.00 55.32 C ATOM 1451 CE1 TYR A 95 -8.361 -7.658 3.609 1.00 1.24 C ATOM 1452 CE2 TYR A 95 -9.759 -5.851 4.440 1.00 42.51 C ATOM 1453 CZ TYR A 95 -8.735 -6.785 4.643 1.00 42.42 C ATOM 1454 OH TYR A 95 -8.116 -6.841 5.852 1.00 43.55 O ATOM 0 H TYR A 95 -8.633 -6.236 -0.190 1.00 1.44 H new ATOM 0 HA TYR A 95 -10.229 -8.449 0.008 1.00 63.35 H new ATOM 0 HB2 TYR A 95 -10.801 -5.520 0.550 1.00 4.33 H new ATOM 0 HB3 TYR A 95 -11.868 -6.817 1.050 1.00 4.33 H new ATOM 0 HD1 TYR A 95 -8.748 -8.285 1.582 1.00 10.35 H new ATOM 0 HD2 TYR A 95 -11.251 -5.110 3.074 1.00 55.32 H new ATOM 0 HE1 TYR A 95 -7.560 -8.366 3.762 1.00 1.24 H new ATOM 0 HE2 TYR A 95 -10.024 -5.161 5.228 1.00 42.51 H new ATOM 0 HH TYR A 95 -8.500 -6.164 6.448 1.00 43.55 H new ATOM 1464 N LYS A 96 -11.658 -6.186 -1.972 1.00 60.21 N ATOM 1465 CA LYS A 96 -12.697 -5.962 -2.965 1.00 62.32 C ATOM 1466 C LYS A 96 -12.265 -6.416 -4.362 1.00 14.31 C ATOM 1467 O LYS A 96 -13.098 -6.910 -5.119 1.00 25.41 O ATOM 1468 CB LYS A 96 -13.123 -4.487 -2.940 1.00 4.52 C ATOM 1469 CG LYS A 96 -13.672 -4.022 -1.576 1.00 73.22 C ATOM 1470 CD LYS A 96 -14.645 -4.997 -0.892 1.00 62.13 C ATOM 1471 CE LYS A 96 -15.910 -5.263 -1.716 1.00 65.21 C ATOM 1472 NZ LYS A 96 -16.532 -6.546 -1.345 1.00 52.32 N ATOM 0 H LYS A 96 -11.158 -5.337 -1.710 1.00 60.21 H new ATOM 0 HA LYS A 96 -13.561 -6.575 -2.709 1.00 62.32 H new ATOM 0 HB2 LYS A 96 -12.268 -3.867 -3.208 1.00 4.52 H new ATOM 0 HB3 LYS A 96 -13.885 -4.325 -3.702 1.00 4.52 H new ATOM 0 HG2 LYS A 96 -12.831 -3.844 -0.906 1.00 73.22 H new ATOM 0 HG3 LYS A 96 -14.178 -3.066 -1.713 1.00 73.22 H new ATOM 0 HD2 LYS A 96 -14.133 -5.942 -0.708 1.00 62.13 H new ATOM 0 HD3 LYS A 96 -14.930 -4.594 0.080 1.00 62.13 H new ATOM 0 HE2 LYS A 96 -16.623 -4.453 -1.563 1.00 65.21 H new ATOM 0 HE3 LYS A 96 -15.660 -5.271 -2.777 1.00 65.21 H new ATOM 0 HZ1 LYS A 96 -17.292 -6.771 -2.018 1.00 52.32 H new ATOM 0 HZ2 LYS A 96 -15.815 -7.299 -1.369 1.00 52.32 H new ATOM 0 HZ3 LYS A 96 -16.928 -6.475 -0.386 1.00 52.32 H new ATOM 1486 N ARG A 97 -10.976 -6.278 -4.698 1.00 43.21 N ATOM 1487 CA ARG A 97 -10.409 -6.757 -5.952 1.00 72.04 C ATOM 1488 C ARG A 97 -10.676 -8.254 -6.112 1.00 4.11 C ATOM 1489 O ARG A 97 -11.193 -8.682 -7.141 1.00 31.10 O ATOM 1490 CB ARG A 97 -8.894 -6.518 -5.971 1.00 54.21 C ATOM 1491 CG ARG A 97 -8.486 -5.048 -6.127 1.00 75.34 C ATOM 1492 CD ARG A 97 -6.977 -4.926 -5.887 1.00 40.44 C ATOM 1493 NE ARG A 97 -6.518 -3.535 -5.962 1.00 71.00 N ATOM 1494 CZ ARG A 97 -5.334 -3.092 -5.503 1.00 21.01 C ATOM 1495 NH1 ARG A 97 -4.501 -3.886 -4.814 1.00 30.34 N ATOM 1496 NH2 ARG A 97 -4.967 -1.826 -5.737 1.00 3.34 N ATOM 0 H ARG A 97 -10.293 -5.823 -4.093 1.00 43.21 H new ATOM 0 HA ARG A 97 -10.877 -6.212 -6.772 1.00 72.04 H new ATOM 0 HB2 ARG A 97 -8.466 -6.905 -5.046 1.00 54.21 H new ATOM 0 HB3 ARG A 97 -8.458 -7.092 -6.789 1.00 54.21 H new ATOM 0 HG2 ARG A 97 -8.740 -4.690 -7.125 1.00 75.34 H new ATOM 0 HG3 ARG A 97 -9.032 -4.427 -5.417 1.00 75.34 H new ATOM 0 HD2 ARG A 97 -6.732 -5.336 -4.907 1.00 40.44 H new ATOM 0 HD3 ARG A 97 -6.443 -5.524 -6.626 1.00 40.44 H new ATOM 0 HE ARG A 97 -7.142 -2.854 -6.394 1.00 71.00 H new ATOM 0 HH11 ARG A 97 -4.759 -4.855 -4.625 1.00 30.34 H new ATOM 0 HH12 ARG A 97 -3.609 -3.521 -4.479 1.00 30.34 H new ATOM 0 HH21 ARG A 97 -5.584 -1.205 -6.260 1.00 3.34 H new ATOM 0 HH22 ARG A 97 -4.071 -1.483 -5.392 1.00 3.34 H new ATOM 1510 N GLN A 98 -10.304 -9.044 -5.096 1.00 54.25 N ATOM 1511 CA GLN A 98 -10.427 -10.492 -5.139 1.00 70.52 C ATOM 1512 C GLN A 98 -11.885 -10.905 -4.917 1.00 33.25 C ATOM 1513 O GLN A 98 -12.432 -11.659 -5.721 1.00 35.52 O ATOM 1514 CB GLN A 98 -9.480 -11.137 -4.122 1.00 40.14 C ATOM 1515 CG GLN A 98 -8.002 -10.891 -4.472 1.00 33.12 C ATOM 1516 CD GLN A 98 -7.059 -11.475 -3.420 1.00 12.24 C ATOM 1517 OE1 GLN A 98 -7.424 -12.387 -2.682 1.00 13.33 O ATOM 1518 NE2 GLN A 98 -5.836 -10.946 -3.337 1.00 60.14 N ATOM 0 H GLN A 98 -9.910 -8.689 -4.225 1.00 54.25 H new ATOM 0 HA GLN A 98 -10.134 -10.851 -6.125 1.00 70.52 H new ATOM 0 HB2 GLN A 98 -9.688 -10.738 -3.129 1.00 40.14 H new ATOM 0 HB3 GLN A 98 -9.669 -12.210 -4.081 1.00 40.14 H new ATOM 0 HG2 GLN A 98 -7.781 -11.334 -5.443 1.00 33.12 H new ATOM 0 HG3 GLN A 98 -7.825 -9.819 -4.563 1.00 33.12 H new ATOM 0 HE21 GLN A 98 -5.564 -10.189 -3.965 1.00 60.14 H new ATOM 0 HE22 GLN A 98 -5.174 -11.298 -2.646 1.00 60.14 H new ATOM 1527 N ASN A 99 -12.513 -10.415 -3.837 1.00 1.12 N ATOM 1528 CA ASN A 99 -13.871 -10.744 -3.436 1.00 23.24 C ATOM 1529 C ASN A 99 -14.749 -9.484 -3.468 1.00 12.12 C ATOM 1530 O ASN A 99 -14.987 -8.875 -2.424 1.00 54.30 O ATOM 1531 CB ASN A 99 -13.836 -11.340 -2.023 1.00 3.33 C ATOM 1532 CG ASN A 99 -13.176 -12.718 -1.941 1.00 50.30 C ATOM 1533 OD1 ASN A 99 -12.686 -13.256 -2.929 1.00 31.30 O ATOM 1534 ND2 ASN A 99 -13.149 -13.290 -0.736 1.00 62.13 N ATOM 0 H ASN A 99 -12.064 -9.755 -3.202 1.00 1.12 H new ATOM 0 HA ASN A 99 -14.297 -11.472 -4.127 1.00 23.24 H new ATOM 0 HB2 ASN A 99 -13.303 -10.654 -1.364 1.00 3.33 H new ATOM 0 HB3 ASN A 99 -14.856 -11.415 -1.647 1.00 3.33 H new ATOM 0 HD21 ASN A 99 -12.711 -14.203 -0.615 1.00 62.13 H new ATOM 0 HD22 ASN A 99 -13.566 -12.814 0.064 1.00 62.13 H new ATOM 1541 N PRO A 100 -15.268 -9.082 -4.640 1.00 74.41 N ATOM 1542 CA PRO A 100 -16.196 -7.966 -4.750 1.00 52.43 C ATOM 1543 C PRO A 100 -17.554 -8.310 -4.123 1.00 53.14 C ATOM 1544 O PRO A 100 -18.192 -7.443 -3.527 1.00 1.22 O ATOM 1545 CB PRO A 100 -16.307 -7.675 -6.249 1.00 11.04 C ATOM 1546 CG PRO A 100 -16.020 -9.027 -6.898 1.00 21.32 C ATOM 1547 CD PRO A 100 -15.002 -9.660 -5.948 1.00 53.20 C ATOM 0 HA PRO A 100 -15.845 -7.088 -4.207 1.00 52.43 H new ATOM 0 HB2 PRO A 100 -17.298 -7.305 -6.514 1.00 11.04 H new ATOM 0 HB3 PRO A 100 -15.589 -6.918 -6.565 1.00 11.04 H new ATOM 0 HG2 PRO A 100 -16.922 -9.633 -6.983 1.00 21.32 H new ATOM 0 HG3 PRO A 100 -15.616 -8.913 -7.904 1.00 21.32 H new ATOM 0 HD2 PRO A 100 -15.110 -10.744 -5.926 1.00 53.20 H new ATOM 0 HD3 PRO A 100 -13.982 -9.448 -6.269 1.00 53.20 H new ATOM 1555 N THR A 101 -17.985 -9.572 -4.250 1.00 15.34 N ATOM 1556 CA THR A 101 -19.284 -10.068 -3.816 1.00 41.22 C ATOM 1557 C THR A 101 -19.453 -9.977 -2.296 1.00 44.14 C ATOM 1558 O THR A 101 -20.395 -9.349 -1.815 1.00 22.11 O ATOM 1559 CB THR A 101 -19.453 -11.515 -4.306 1.00 24.42 C ATOM 1560 OG1 THR A 101 -18.340 -12.297 -3.913 1.00 23.40 O ATOM 1561 CG2 THR A 101 -19.581 -11.575 -5.832 1.00 13.32 C ATOM 0 H THR A 101 -17.410 -10.299 -4.676 1.00 15.34 H new ATOM 0 HA THR A 101 -20.062 -9.441 -4.251 1.00 41.22 H new ATOM 0 HB THR A 101 -20.365 -11.908 -3.858 1.00 24.42 H new ATOM 0 HG1 THR A 101 -18.459 -13.217 -4.229 1.00 23.40 H new ATOM 0 HG21 THR A 101 -19.699 -12.612 -6.147 1.00 13.32 H new ATOM 0 HG22 THR A 101 -20.451 -10.999 -6.147 1.00 13.32 H new ATOM 0 HG23 THR A 101 -18.684 -11.157 -6.289 1.00 13.32 H new ATOM 1569 N MET A 102 -18.556 -10.628 -1.546 1.00 35.20 N ATOM 1570 CA MET A 102 -18.649 -10.767 -0.099 1.00 20.43 C ATOM 1571 C MET A 102 -18.393 -9.440 0.623 1.00 52.22 C ATOM 1572 O MET A 102 -18.108 -8.418 -0.001 1.00 30.45 O ATOM 1573 CB MET A 102 -17.709 -11.892 0.364 1.00 22.12 C ATOM 1574 CG MET A 102 -18.315 -13.265 0.054 1.00 42.11 C ATOM 1575 SD MET A 102 -19.692 -13.754 1.127 1.00 72.52 S ATOM 1576 CE MET A 102 -18.750 -14.463 2.501 1.00 72.33 C ATOM 0 H MET A 102 -17.731 -11.080 -1.942 1.00 35.20 H new ATOM 0 HA MET A 102 -19.668 -11.045 0.168 1.00 20.43 H new ATOM 0 HB2 MET A 102 -16.744 -11.794 -0.133 1.00 22.12 H new ATOM 0 HB3 MET A 102 -17.526 -11.803 1.435 1.00 22.12 H new ATOM 0 HG2 MET A 102 -18.661 -13.268 -0.980 1.00 42.11 H new ATOM 0 HG3 MET A 102 -17.530 -14.017 0.130 1.00 42.11 H new ATOM 0 HE1 MET A 102 -19.401 -14.576 3.368 1.00 72.33 H new ATOM 0 HE2 MET A 102 -18.361 -15.439 2.210 1.00 72.33 H new ATOM 0 HE3 MET A 102 -17.921 -13.802 2.753 1.00 72.33 H new ATOM 1586 N PHE A 103 -18.549 -9.461 1.950 1.00 2.22 N ATOM 1587 CA PHE A 103 -18.705 -8.268 2.776 1.00 42.10 C ATOM 1588 C PHE A 103 -17.429 -7.947 3.554 1.00 72.45 C ATOM 1589 O PHE A 103 -16.575 -8.812 3.734 1.00 61.51 O ATOM 1590 CB PHE A 103 -19.897 -8.478 3.718 1.00 25.42 C ATOM 1591 CG PHE A 103 -21.128 -9.011 3.007 1.00 20.44 C ATOM 1592 CD1 PHE A 103 -21.854 -8.168 2.144 1.00 70.04 C ATOM 1593 CD2 PHE A 103 -21.408 -10.392 3.032 1.00 44.35 C ATOM 1594 CE1 PHE A 103 -22.856 -8.703 1.314 1.00 3.21 C ATOM 1595 CE2 PHE A 103 -22.406 -10.925 2.200 1.00 40.32 C ATOM 1596 CZ PHE A 103 -23.129 -10.081 1.339 1.00 53.41 C ATOM 0 H PHE A 103 -18.570 -10.328 2.488 1.00 2.22 H new ATOM 0 HA PHE A 103 -18.895 -7.409 2.133 1.00 42.10 H new ATOM 0 HB2 PHE A 103 -19.611 -9.173 4.508 1.00 25.42 H new ATOM 0 HB3 PHE A 103 -20.144 -7.532 4.200 1.00 25.42 H new ATOM 0 HD1 PHE A 103 -21.641 -7.109 2.119 1.00 70.04 H new ATOM 0 HD2 PHE A 103 -20.854 -11.042 3.693 1.00 44.35 H new ATOM 0 HE1 PHE A 103 -23.416 -8.054 0.657 1.00 3.21 H new ATOM 0 HE2 PHE A 103 -22.618 -11.984 2.222 1.00 40.32 H new ATOM 0 HZ PHE A 103 -23.894 -10.492 0.697 1.00 53.41 H new ATOM 1606 N ALA A 104 -17.310 -6.697 4.020 1.00 20.14 N ATOM 1607 CA ALA A 104 -16.165 -6.200 4.775 1.00 3.22 C ATOM 1608 C ALA A 104 -15.840 -7.109 5.964 1.00 52.13 C ATOM 1609 O ALA A 104 -14.686 -7.493 6.143 1.00 75.25 O ATOM 1610 CB ALA A 104 -16.450 -4.772 5.251 1.00 23.14 C ATOM 0 H ALA A 104 -18.030 -5.989 3.875 1.00 20.14 H new ATOM 0 HA ALA A 104 -15.293 -6.198 4.121 1.00 3.22 H new ATOM 0 HB1 ALA A 104 -15.595 -4.399 5.815 1.00 23.14 H new ATOM 0 HB2 ALA A 104 -16.624 -4.129 4.388 1.00 23.14 H new ATOM 0 HB3 ALA A 104 -17.334 -4.771 5.888 1.00 23.14 H new ATOM 1616 N TRP A 105 -16.870 -7.458 6.747 1.00 24.35 N ATOM 1617 CA TRP A 105 -16.794 -8.377 7.877 1.00 72.40 C ATOM 1618 C TRP A 105 -16.043 -9.651 7.499 1.00 0.41 C ATOM 1619 O TRP A 105 -15.039 -9.989 8.122 1.00 22.41 O ATOM 1620 CB TRP A 105 -18.214 -8.726 8.356 1.00 22.22 C ATOM 1621 CG TRP A 105 -19.108 -7.563 8.662 1.00 43.10 C ATOM 1622 CD1 TRP A 105 -19.966 -6.984 7.792 1.00 41.24 C ATOM 1623 CD2 TRP A 105 -19.243 -6.814 9.906 1.00 21.21 C ATOM 1624 NE1 TRP A 105 -20.589 -5.909 8.388 1.00 41.11 N ATOM 1625 CE2 TRP A 105 -20.172 -5.755 9.694 1.00 25.32 C ATOM 1626 CE3 TRP A 105 -18.658 -6.907 11.189 1.00 61.04 C ATOM 1627 CZ2 TRP A 105 -20.496 -4.829 10.696 1.00 20.03 C ATOM 1628 CZ3 TRP A 105 -18.975 -5.983 12.201 1.00 52.43 C ATOM 1629 CH2 TRP A 105 -19.892 -4.945 11.958 1.00 12.45 C ATOM 0 H TRP A 105 -17.811 -7.091 6.600 1.00 24.35 H new ATOM 0 HA TRP A 105 -16.247 -7.888 8.683 1.00 72.40 H new ATOM 0 HB2 TRP A 105 -18.694 -9.337 7.591 1.00 22.22 H new ATOM 0 HB3 TRP A 105 -18.133 -9.342 9.252 1.00 22.22 H new ATOM 0 HD1 TRP A 105 -20.138 -7.315 6.779 1.00 41.24 H new ATOM 0 HE1 TRP A 105 -21.269 -5.306 7.924 1.00 41.11 H new ATOM 0 HE3 TRP A 105 -17.956 -7.701 11.396 1.00 61.04 H new ATOM 0 HZ2 TRP A 105 -21.202 -4.036 10.499 1.00 20.03 H new ATOM 0 HZ3 TRP A 105 -18.511 -6.071 13.172 1.00 52.43 H new ATOM 0 HH2 TRP A 105 -20.131 -4.239 12.740 1.00 12.45 H new ATOM 1640 N GLU A 106 -16.538 -10.337 6.465 1.00 41.31 N ATOM 1641 CA GLU A 106 -16.035 -11.611 5.995 1.00 34.34 C ATOM 1642 C GLU A 106 -14.595 -11.476 5.506 1.00 12.12 C ATOM 1643 O GLU A 106 -13.726 -12.260 5.880 1.00 75.03 O ATOM 1644 CB GLU A 106 -16.946 -12.096 4.858 1.00 13.31 C ATOM 1645 CG GLU A 106 -18.419 -12.200 5.288 1.00 50.31 C ATOM 1646 CD GLU A 106 -18.607 -13.167 6.452 1.00 41.31 C ATOM 1647 OE1 GLU A 106 -18.468 -14.383 6.203 1.00 70.20 O ATOM 1648 OE2 GLU A 106 -18.881 -12.668 7.564 1.00 53.01 O ATOM 0 H GLU A 106 -17.330 -9.999 5.918 1.00 41.31 H new ATOM 0 HA GLU A 106 -16.038 -12.334 6.811 1.00 34.34 H new ATOM 0 HB2 GLU A 106 -16.865 -11.411 4.014 1.00 13.31 H new ATOM 0 HB3 GLU A 106 -16.602 -13.071 4.512 1.00 13.31 H new ATOM 0 HG2 GLU A 106 -18.784 -11.213 5.574 1.00 50.31 H new ATOM 0 HG3 GLU A 106 -19.021 -12.530 4.442 1.00 50.31 H new ATOM 1655 N ILE A 107 -14.353 -10.490 4.641 1.00 15.13 N ATOM 1656 CA ILE A 107 -13.119 -10.385 3.885 1.00 13.10 C ATOM 1657 C ILE A 107 -11.972 -9.822 4.739 1.00 12.43 C ATOM 1658 O ILE A 107 -10.810 -10.036 4.406 1.00 12.40 O ATOM 1659 CB ILE A 107 -13.375 -9.598 2.589 1.00 23.23 C ATOM 1660 CG1 ILE A 107 -14.476 -10.250 1.733 1.00 21.12 C ATOM 1661 CG2 ILE A 107 -12.095 -9.598 1.750 1.00 34.12 C ATOM 1662 CD1 ILE A 107 -15.067 -9.244 0.745 1.00 60.24 C ATOM 0 H ILE A 107 -15.017 -9.740 4.449 1.00 15.13 H new ATOM 0 HA ILE A 107 -12.784 -11.381 3.596 1.00 13.10 H new ATOM 0 HB ILE A 107 -13.685 -8.591 2.870 1.00 23.23 H new ATOM 0 HG12 ILE A 107 -14.064 -11.100 1.190 1.00 21.12 H new ATOM 0 HG13 ILE A 107 -15.264 -10.636 2.380 1.00 21.12 H new ATOM 0 HG21 ILE A 107 -12.265 -9.042 0.828 1.00 34.12 H new ATOM 0 HG22 ILE A 107 -11.290 -9.127 2.314 1.00 34.12 H new ATOM 0 HG23 ILE A 107 -11.818 -10.624 1.510 1.00 34.12 H new ATOM 0 HD11 ILE A 107 -15.842 -9.729 0.152 1.00 60.24 H new ATOM 0 HD12 ILE A 107 -15.499 -8.407 1.293 1.00 60.24 H new ATOM 0 HD13 ILE A 107 -14.281 -8.878 0.085 1.00 60.24 H new ATOM 1674 N ARG A 108 -12.259 -9.171 5.873 1.00 21.02 N ATOM 1675 CA ARG A 108 -11.236 -8.874 6.873 1.00 35.40 C ATOM 1676 C ARG A 108 -10.506 -10.157 7.312 1.00 1.54 C ATOM 1677 O ARG A 108 -9.297 -10.115 7.545 1.00 62.53 O ATOM 1678 CB ARG A 108 -11.844 -8.029 8.016 1.00 12.34 C ATOM 1679 CG ARG A 108 -11.428 -8.410 9.444 1.00 40.01 C ATOM 1680 CD ARG A 108 -12.381 -9.479 9.993 1.00 22.33 C ATOM 1681 NE ARG A 108 -11.769 -10.321 11.026 1.00 52.23 N ATOM 1682 CZ ARG A 108 -11.481 -9.963 12.286 1.00 35.23 C ATOM 1683 NH1 ARG A 108 -11.601 -8.691 12.689 1.00 40.43 N ATOM 1684 NH2 ARG A 108 -11.070 -10.903 13.146 1.00 22.43 N ATOM 0 H ARG A 108 -13.193 -8.841 6.117 1.00 21.02 H new ATOM 0 HA ARG A 108 -10.451 -8.253 6.442 1.00 35.40 H new ATOM 0 HB2 ARG A 108 -11.576 -6.986 7.849 1.00 12.34 H new ATOM 0 HB3 ARG A 108 -12.930 -8.094 7.948 1.00 12.34 H new ATOM 0 HG2 ARG A 108 -10.405 -8.785 9.447 1.00 40.01 H new ATOM 0 HG3 ARG A 108 -11.446 -7.529 10.086 1.00 40.01 H new ATOM 0 HD2 ARG A 108 -13.264 -8.992 10.406 1.00 22.33 H new ATOM 0 HD3 ARG A 108 -12.720 -10.111 9.172 1.00 22.33 H new ATOM 0 HE ARG A 108 -11.539 -11.278 10.759 1.00 52.23 H new ATOM 0 HH11 ARG A 108 -11.916 -7.976 12.033 1.00 40.43 H new ATOM 0 HH12 ARG A 108 -11.377 -8.438 13.651 1.00 40.43 H new ATOM 0 HH21 ARG A 108 -10.981 -11.871 12.839 1.00 22.43 H new ATOM 0 HH22 ARG A 108 -10.846 -10.651 14.109 1.00 22.43 H new ATOM 1698 N ASP A 109 -11.203 -11.304 7.360 1.00 61.34 N ATOM 1699 CA ASP A 109 -10.599 -12.585 7.718 1.00 33.23 C ATOM 1700 C ASP A 109 -9.715 -13.170 6.607 1.00 12.30 C ATOM 1701 O ASP A 109 -9.098 -14.209 6.828 1.00 62.44 O ATOM 1702 CB ASP A 109 -11.668 -13.588 8.163 1.00 34.32 C ATOM 1703 CG ASP A 109 -12.469 -13.078 9.356 1.00 5.31 C ATOM 1704 OD1 ASP A 109 -11.892 -13.071 10.467 1.00 41.23 O ATOM 1705 OD2 ASP A 109 -13.631 -12.678 9.140 1.00 22.41 O ATOM 0 H ASP A 109 -12.200 -11.363 7.151 1.00 61.34 H new ATOM 0 HA ASP A 109 -9.935 -12.388 8.559 1.00 33.23 H new ATOM 0 HB2 ASP A 109 -12.344 -13.790 7.332 1.00 34.32 H new ATOM 0 HB3 ASP A 109 -11.192 -14.533 8.423 1.00 34.32 H new ATOM 1710 N ARG A 110 -9.598 -12.503 5.446 1.00 74.41 N ATOM 1711 CA ARG A 110 -8.578 -12.795 4.436 1.00 43.33 C ATOM 1712 C ARG A 110 -7.207 -12.878 5.104 1.00 51.51 C ATOM 1713 O ARG A 110 -6.454 -13.817 4.863 1.00 34.42 O ATOM 1714 CB ARG A 110 -8.571 -11.676 3.381 1.00 25.34 C ATOM 1715 CG ARG A 110 -7.521 -11.832 2.267 1.00 71.51 C ATOM 1716 CD ARG A 110 -7.947 -12.806 1.160 1.00 43.42 C ATOM 1717 NE ARG A 110 -9.210 -12.407 0.517 1.00 54.53 N ATOM 1718 CZ ARG A 110 -9.397 -11.332 -0.270 1.00 11.22 C ATOM 1719 NH1 ARG A 110 -8.382 -10.524 -0.602 1.00 62.42 N ATOM 1720 NH2 ARG A 110 -10.625 -11.059 -0.727 1.00 2.21 N ATOM 0 H ARG A 110 -10.219 -11.737 5.184 1.00 74.41 H new ATOM 0 HA ARG A 110 -8.803 -13.747 3.955 1.00 43.33 H new ATOM 0 HB2 ARG A 110 -9.559 -11.625 2.923 1.00 25.34 H new ATOM 0 HB3 ARG A 110 -8.404 -10.724 3.885 1.00 25.34 H new ATOM 0 HG2 ARG A 110 -7.323 -10.855 1.825 1.00 71.51 H new ATOM 0 HG3 ARG A 110 -6.585 -12.179 2.706 1.00 71.51 H new ATOM 0 HD2 ARG A 110 -7.161 -12.862 0.407 1.00 43.42 H new ATOM 0 HD3 ARG A 110 -8.057 -13.805 1.581 1.00 43.42 H new ATOM 0 HE ARG A 110 -10.021 -13.003 0.684 1.00 54.53 H new ATOM 0 HH11 ARG A 110 -7.442 -10.718 -0.257 1.00 62.42 H new ATOM 0 HH12 ARG A 110 -8.549 -9.715 -1.200 1.00 62.42 H new ATOM 0 HH21 ARG A 110 -11.408 -11.663 -0.478 1.00 2.21 H new ATOM 0 HH22 ARG A 110 -10.778 -10.246 -1.324 1.00 2.21 H new ATOM 1734 N LEU A 111 -6.898 -11.885 5.946 1.00 22.15 N ATOM 1735 CA LEU A 111 -5.625 -11.782 6.637 1.00 33.35 C ATOM 1736 C LEU A 111 -5.357 -13.037 7.467 1.00 40.22 C ATOM 1737 O LEU A 111 -4.264 -13.593 7.405 1.00 62.13 O ATOM 1738 CB LEU A 111 -5.607 -10.535 7.525 1.00 62.52 C ATOM 1739 CG LEU A 111 -5.644 -9.230 6.716 1.00 13.53 C ATOM 1740 CD1 LEU A 111 -6.008 -8.077 7.653 1.00 14.41 C ATOM 1741 CD2 LEU A 111 -4.303 -8.911 6.049 1.00 10.45 C ATOM 0 H LEU A 111 -7.541 -11.123 6.164 1.00 22.15 H new ATOM 0 HA LEU A 111 -4.833 -11.693 5.894 1.00 33.35 H new ATOM 0 HB2 LEU A 111 -6.462 -10.563 8.201 1.00 62.52 H new ATOM 0 HB3 LEU A 111 -4.710 -10.548 8.145 1.00 62.52 H new ATOM 0 HG LEU A 111 -6.386 -9.356 5.927 1.00 13.53 H new ATOM 0 HD11 LEU A 111 -6.037 -7.145 7.089 1.00 14.41 H new ATOM 0 HD12 LEU A 111 -6.986 -8.263 8.096 1.00 14.41 H new ATOM 0 HD13 LEU A 111 -5.260 -8.000 8.443 1.00 14.41 H new ATOM 0 HD21 LEU A 111 -4.387 -7.979 5.491 1.00 10.45 H new ATOM 0 HD22 LEU A 111 -3.532 -8.809 6.813 1.00 10.45 H new ATOM 0 HD23 LEU A 111 -4.034 -9.718 5.368 1.00 10.45 H new ATOM 1753 N LEU A 112 -6.354 -13.486 8.236 1.00 42.40 N ATOM 1754 CA LEU A 112 -6.219 -14.646 9.105 1.00 21.23 C ATOM 1755 C LEU A 112 -6.086 -15.929 8.281 1.00 34.13 C ATOM 1756 O LEU A 112 -5.238 -16.767 8.585 1.00 22.33 O ATOM 1757 CB LEU A 112 -7.406 -14.731 10.075 1.00 60.11 C ATOM 1758 CG LEU A 112 -7.668 -13.433 10.860 1.00 43.13 C ATOM 1759 CD1 LEU A 112 -8.743 -13.706 11.918 1.00 21.21 C ATOM 1760 CD2 LEU A 112 -6.414 -12.887 11.551 1.00 33.35 C ATOM 0 H LEU A 112 -7.276 -13.051 8.269 1.00 42.40 H new ATOM 0 HA LEU A 112 -5.309 -14.533 9.694 1.00 21.23 H new ATOM 0 HB2 LEU A 112 -8.303 -14.991 9.513 1.00 60.11 H new ATOM 0 HB3 LEU A 112 -7.227 -15.541 10.782 1.00 60.11 H new ATOM 0 HG LEU A 112 -7.994 -12.679 10.144 1.00 43.13 H new ATOM 0 HD11 LEU A 112 -8.938 -12.794 12.482 1.00 21.21 H new ATOM 0 HD12 LEU A 112 -9.660 -14.034 11.429 1.00 21.21 H new ATOM 0 HD13 LEU A 112 -8.396 -14.485 12.597 1.00 21.21 H new ATOM 0 HD21 LEU A 112 -6.664 -11.972 12.087 1.00 33.35 H new ATOM 0 HD22 LEU A 112 -6.034 -13.628 12.255 1.00 33.35 H new ATOM 0 HD23 LEU A 112 -5.651 -12.673 10.803 1.00 33.35 H new ATOM 1772 N ALA A 113 -6.914 -16.075 7.239 1.00 43.25 N ATOM 1773 CA ALA A 113 -6.924 -17.235 6.359 1.00 4.12 C ATOM 1774 C ALA A 113 -5.568 -17.430 5.679 1.00 2.55 C ATOM 1775 O ALA A 113 -5.014 -18.527 5.713 1.00 43.32 O ATOM 1776 CB ALA A 113 -8.043 -17.083 5.323 1.00 34.33 C ATOM 0 H ALA A 113 -7.607 -15.372 6.985 1.00 43.25 H new ATOM 0 HA ALA A 113 -7.113 -18.126 6.958 1.00 4.12 H new ATOM 0 HB1 ALA A 113 -8.050 -17.952 4.665 1.00 34.33 H new ATOM 0 HB2 ALA A 113 -9.003 -17.007 5.833 1.00 34.33 H new ATOM 0 HB3 ALA A 113 -7.873 -16.182 4.733 1.00 34.33 H new ATOM 1782 N GLU A 114 -5.031 -16.362 5.077 1.00 63.52 N ATOM 1783 CA GLU A 114 -3.735 -16.379 4.414 1.00 15.15 C ATOM 1784 C GLU A 114 -2.590 -16.494 5.428 1.00 34.44 C ATOM 1785 O GLU A 114 -1.545 -17.055 5.105 1.00 51.23 O ATOM 1786 CB GLU A 114 -3.585 -15.118 3.549 1.00 41.53 C ATOM 1787 CG GLU A 114 -4.582 -15.063 2.382 1.00 35.21 C ATOM 1788 CD GLU A 114 -4.371 -16.198 1.385 1.00 61.23 C ATOM 1789 OE1 GLU A 114 -3.352 -16.139 0.664 1.00 12.21 O ATOM 1790 OE2 GLU A 114 -5.235 -17.103 1.361 1.00 13.14 O ATOM 0 H GLU A 114 -5.495 -15.454 5.040 1.00 63.52 H new ATOM 0 HA GLU A 114 -3.682 -17.258 3.772 1.00 15.15 H new ATOM 0 HB2 GLU A 114 -3.721 -14.237 4.176 1.00 41.53 H new ATOM 0 HB3 GLU A 114 -2.570 -15.075 3.154 1.00 41.53 H new ATOM 0 HG2 GLU A 114 -5.598 -15.110 2.773 1.00 35.21 H new ATOM 0 HG3 GLU A 114 -4.483 -14.107 1.867 1.00 35.21 H new ATOM 1797 N GLY A 115 -2.781 -15.973 6.648 1.00 3.22 N ATOM 1798 CA GLY A 115 -1.797 -16.030 7.719 1.00 73.13 C ATOM 1799 C GLY A 115 -0.840 -14.845 7.626 1.00 52.11 C ATOM 1800 O GLY A 115 0.373 -15.023 7.538 1.00 5.10 O ATOM 0 H GLY A 115 -3.641 -15.494 6.915 1.00 3.22 H new ATOM 0 HA2 GLY A 115 -2.301 -16.023 8.685 1.00 73.13 H new ATOM 0 HA3 GLY A 115 -1.237 -16.963 7.658 1.00 73.13 H new ATOM 1804 N VAL A 116 -1.410 -13.635 7.645 1.00 32.53 N ATOM 1805 CA VAL A 116 -0.710 -12.365 7.520 1.00 24.11 C ATOM 1806 C VAL A 116 -0.507 -11.755 8.907 1.00 0.21 C ATOM 1807 O VAL A 116 0.589 -11.290 9.218 1.00 1.33 O ATOM 1808 CB VAL A 116 -1.513 -11.427 6.600 1.00 62.32 C ATOM 1809 CG1 VAL A 116 -0.796 -10.084 6.412 1.00 53.23 C ATOM 1810 CG2 VAL A 116 -1.728 -12.068 5.223 1.00 12.42 C ATOM 0 H VAL A 116 -2.417 -13.516 7.753 1.00 32.53 H new ATOM 0 HA VAL A 116 0.272 -12.518 7.073 1.00 24.11 H new ATOM 0 HB VAL A 116 -2.476 -11.255 7.080 1.00 62.32 H new ATOM 0 HG11 VAL A 116 -1.388 -9.444 5.758 1.00 53.23 H new ATOM 0 HG12 VAL A 116 -0.673 -9.599 7.380 1.00 53.23 H new ATOM 0 HG13 VAL A 116 0.183 -10.254 5.964 1.00 53.23 H new ATOM 0 HG21 VAL A 116 -2.297 -11.388 4.590 1.00 12.42 H new ATOM 0 HG22 VAL A 116 -0.762 -12.270 4.761 1.00 12.42 H new ATOM 0 HG23 VAL A 116 -2.278 -13.002 5.338 1.00 12.42 H new ATOM 1820 N CYS A 117 -1.567 -11.740 9.725 1.00 61.33 N ATOM 1821 CA CYS A 117 -1.562 -11.148 11.055 1.00 21.22 C ATOM 1822 C CYS A 117 -2.414 -11.978 12.020 1.00 13.40 C ATOM 1823 O CYS A 117 -3.036 -12.963 11.624 1.00 70.34 O ATOM 1824 CB CYS A 117 -2.032 -9.688 10.969 1.00 24.22 C ATOM 1825 SG CYS A 117 -3.813 -9.601 10.645 1.00 41.25 S ATOM 0 H CYS A 117 -2.466 -12.149 9.469 1.00 61.33 H new ATOM 0 HA CYS A 117 -0.547 -11.150 11.453 1.00 21.22 H new ATOM 0 HB2 CYS A 117 -1.802 -9.172 11.901 1.00 24.22 H new ATOM 0 HB3 CYS A 117 -1.488 -9.173 10.177 1.00 24.22 H new ATOM 0 HG CYS A 117 -4.459 -9.582 11.773 1.00 41.25 H new ATOM 1831 N ASP A 118 -2.431 -11.564 13.292 1.00 55.24 N ATOM 1832 CA ASP A 118 -3.098 -12.258 14.383 1.00 41.51 C ATOM 1833 C ASP A 118 -4.571 -11.856 14.457 1.00 42.24 C ATOM 1834 O ASP A 118 -4.974 -10.828 13.913 1.00 2.04 O ATOM 1835 CB ASP A 118 -2.414 -11.937 15.722 1.00 31.32 C ATOM 1836 CG ASP A 118 -0.891 -11.916 15.620 1.00 54.03 C ATOM 1837 OD1 ASP A 118 -0.366 -10.833 15.274 1.00 14.02 O ATOM 1838 OD2 ASP A 118 -0.285 -12.977 15.879 1.00 42.21 O ATOM 0 H ASP A 118 -1.964 -10.709 13.593 1.00 55.24 H new ATOM 0 HA ASP A 118 -3.030 -13.329 14.192 1.00 41.51 H new ATOM 0 HB2 ASP A 118 -2.763 -10.968 16.079 1.00 31.32 H new ATOM 0 HB3 ASP A 118 -2.713 -12.677 16.464 1.00 31.32 H new ATOM 1843 N ASN A 119 -5.357 -12.657 15.185 1.00 31.52 N ATOM 1844 CA ASN A 119 -6.769 -12.411 15.455 1.00 2.42 C ATOM 1845 C ASN A 119 -7.022 -11.073 16.164 1.00 14.21 C ATOM 1846 O ASN A 119 -8.131 -10.549 16.083 1.00 12.11 O ATOM 1847 CB ASN A 119 -7.360 -13.571 16.272 1.00 63.33 C ATOM 1848 CG ASN A 119 -7.013 -13.467 17.758 1.00 54.41 C ATOM 1849 OD1 ASN A 119 -7.882 -13.177 18.576 1.00 51.35 O ATOM 1850 ND2 ASN A 119 -5.743 -13.671 18.110 1.00 64.10 N ATOM 0 H ASN A 119 -5.014 -13.517 15.612 1.00 31.52 H new ATOM 0 HA ASN A 119 -7.270 -12.349 14.489 1.00 2.42 H new ATOM 0 HB2 ASN A 119 -8.443 -13.581 16.154 1.00 63.33 H new ATOM 0 HB3 ASN A 119 -6.987 -14.517 15.879 1.00 63.33 H new ATOM 0 HD21 ASN A 119 -5.465 -13.588 19.088 1.00 64.10 H new ATOM 0 HD22 ASN A 119 -5.050 -13.910 17.401 1.00 64.10 H new ATOM 1857 N ASP A 120 -6.015 -10.541 16.873 1.00 21.23 N ATOM 1858 CA ASP A 120 -6.099 -9.294 17.618 1.00 14.24 C ATOM 1859 C ASP A 120 -5.613 -8.138 16.745 1.00 41.32 C ATOM 1860 O ASP A 120 -6.256 -7.091 16.679 1.00 52.43 O ATOM 1861 CB ASP A 120 -5.247 -9.401 18.889 1.00 3.33 C ATOM 1862 CG ASP A 120 -5.723 -10.518 19.816 1.00 1.53 C ATOM 1863 OD1 ASP A 120 -6.796 -10.330 20.427 1.00 64.54 O ATOM 1864 OD2 ASP A 120 -5.001 -11.537 19.900 1.00 65.51 O ATOM 0 H ASP A 120 -5.099 -10.985 16.940 1.00 21.23 H new ATOM 0 HA ASP A 120 -7.134 -9.105 17.901 1.00 14.24 H new ATOM 0 HB2 ASP A 120 -4.208 -9.580 18.613 1.00 3.33 H new ATOM 0 HB3 ASP A 120 -5.276 -8.452 19.424 1.00 3.33 H new ATOM 1869 N THR A 121 -4.462 -8.329 16.092 1.00 72.21 N ATOM 1870 CA THR A 121 -3.745 -7.297 15.353 1.00 55.12 C ATOM 1871 C THR A 121 -4.422 -6.947 14.022 1.00 42.20 C ATOM 1872 O THR A 121 -4.164 -5.878 13.469 1.00 14.21 O ATOM 1873 CB THR A 121 -2.287 -7.736 15.167 1.00 73.34 C ATOM 1874 OG1 THR A 121 -2.233 -8.935 14.429 1.00 1.51 O ATOM 1875 CG2 THR A 121 -1.613 -7.962 16.525 1.00 13.24 C ATOM 0 H THR A 121 -3.994 -9.235 16.065 1.00 72.21 H new ATOM 0 HA THR A 121 -3.766 -6.375 15.934 1.00 55.12 H new ATOM 0 HB THR A 121 -1.763 -6.945 14.630 1.00 73.34 H new ATOM 0 HG1 THR A 121 -1.570 -9.536 14.829 1.00 1.51 H new ATOM 0 HG21 THR A 121 -0.580 -8.273 16.371 1.00 13.24 H new ATOM 0 HG22 THR A 121 -1.632 -7.036 17.099 1.00 13.24 H new ATOM 0 HG23 THR A 121 -2.148 -8.739 17.072 1.00 13.24 H new ATOM 1883 N VAL A 122 -5.308 -7.823 13.530 1.00 34.44 N ATOM 1884 CA VAL A 122 -6.217 -7.564 12.418 1.00 14.52 C ATOM 1885 C VAL A 122 -6.931 -6.210 12.597 1.00 43.22 C ATOM 1886 O VAL A 122 -7.354 -5.893 13.710 1.00 1.11 O ATOM 1887 CB VAL A 122 -7.207 -8.742 12.328 1.00 62.20 C ATOM 1888 CG1 VAL A 122 -8.162 -8.787 13.525 1.00 30.02 C ATOM 1889 CG2 VAL A 122 -8.024 -8.750 11.036 1.00 21.31 C ATOM 0 H VAL A 122 -5.411 -8.763 13.912 1.00 34.44 H new ATOM 0 HA VAL A 122 -5.665 -7.492 11.481 1.00 14.52 H new ATOM 0 HB VAL A 122 -6.578 -9.632 12.335 1.00 62.20 H new ATOM 0 HG11 VAL A 122 -8.841 -9.633 13.418 1.00 30.02 H new ATOM 0 HG12 VAL A 122 -7.588 -8.897 14.445 1.00 30.02 H new ATOM 0 HG13 VAL A 122 -8.738 -7.863 13.566 1.00 30.02 H new ATOM 0 HG21 VAL A 122 -8.700 -9.605 11.038 1.00 21.31 H new ATOM 0 HG22 VAL A 122 -8.603 -7.829 10.966 1.00 21.31 H new ATOM 0 HG23 VAL A 122 -7.352 -8.821 10.181 1.00 21.31 H new ATOM 1899 N PRO A 123 -7.052 -5.383 11.543 1.00 14.04 N ATOM 1900 CA PRO A 123 -7.621 -4.047 11.642 1.00 44.52 C ATOM 1901 C PRO A 123 -9.140 -4.086 11.833 1.00 63.52 C ATOM 1902 O PRO A 123 -9.777 -5.134 11.714 1.00 71.24 O ATOM 1903 CB PRO A 123 -7.230 -3.344 10.338 1.00 23.21 C ATOM 1904 CG PRO A 123 -7.152 -4.496 9.340 1.00 14.21 C ATOM 1905 CD PRO A 123 -6.577 -5.627 10.191 1.00 73.01 C ATOM 0 HA PRO A 123 -7.241 -3.515 12.514 1.00 44.52 H new ATOM 0 HB2 PRO A 123 -7.971 -2.602 10.041 1.00 23.21 H new ATOM 0 HB3 PRO A 123 -6.277 -2.824 10.430 1.00 23.21 H new ATOM 0 HG2 PRO A 123 -8.132 -4.750 8.935 1.00 14.21 H new ATOM 0 HG3 PRO A 123 -6.509 -4.257 8.493 1.00 14.21 H new ATOM 0 HD2 PRO A 123 -6.911 -6.599 9.828 1.00 73.01 H new ATOM 0 HD3 PRO A 123 -5.488 -5.630 10.153 1.00 73.01 H new ATOM 1913 N SER A 124 -9.709 -2.914 12.136 1.00 71.11 N ATOM 1914 CA SER A 124 -11.130 -2.723 12.375 1.00 72.55 C ATOM 1915 C SER A 124 -11.939 -3.030 11.116 1.00 15.33 C ATOM 1916 O SER A 124 -11.545 -2.642 10.019 1.00 32.41 O ATOM 1917 CB SER A 124 -11.359 -1.269 12.808 1.00 54.31 C ATOM 1918 OG SER A 124 -10.915 -1.091 14.136 1.00 63.34 O ATOM 0 H SER A 124 -9.171 -2.052 12.222 1.00 71.11 H new ATOM 0 HA SER A 124 -11.461 -3.405 13.158 1.00 72.55 H new ATOM 0 HB2 SER A 124 -10.823 -0.593 12.142 1.00 54.31 H new ATOM 0 HB3 SER A 124 -12.417 -1.019 12.732 1.00 54.31 H new ATOM 0 HG SER A 124 -11.061 -0.161 14.408 1.00 63.34 H new ATOM 1924 N VAL A 125 -13.094 -3.686 11.283 1.00 11.42 N ATOM 1925 CA VAL A 125 -14.074 -3.813 10.214 1.00 62.31 C ATOM 1926 C VAL A 125 -14.707 -2.443 9.952 1.00 63.42 C ATOM 1927 O VAL A 125 -14.918 -2.066 8.802 1.00 5.30 O ATOM 1928 CB VAL A 125 -15.133 -4.873 10.547 1.00 61.24 C ATOM 1929 CG1 VAL A 125 -16.144 -4.954 9.395 1.00 22.54 C ATOM 1930 CG2 VAL A 125 -14.485 -6.251 10.739 1.00 62.55 C ATOM 0 H VAL A 125 -13.367 -4.137 12.156 1.00 11.42 H new ATOM 0 HA VAL A 125 -13.574 -4.152 9.307 1.00 62.31 H new ATOM 0 HB VAL A 125 -15.632 -4.587 11.473 1.00 61.24 H new ATOM 0 HG11 VAL A 125 -16.899 -5.706 9.626 1.00 22.54 H new ATOM 0 HG12 VAL A 125 -16.625 -3.985 9.264 1.00 22.54 H new ATOM 0 HG13 VAL A 125 -15.627 -5.229 8.476 1.00 22.54 H new ATOM 0 HG21 VAL A 125 -15.255 -6.986 10.974 1.00 62.55 H new ATOM 0 HG22 VAL A 125 -13.973 -6.543 9.822 1.00 62.55 H new ATOM 0 HG23 VAL A 125 -13.766 -6.204 11.557 1.00 62.55 H new ATOM 1940 N SER A 126 -14.995 -1.694 11.023 1.00 31.14 N ATOM 1941 CA SER A 126 -15.558 -0.355 10.962 1.00 11.11 C ATOM 1942 C SER A 126 -14.745 0.577 10.059 1.00 42.14 C ATOM 1943 O SER A 126 -15.331 1.375 9.329 1.00 14.52 O ATOM 1944 CB SER A 126 -15.651 0.218 12.379 1.00 50.14 C ATOM 1945 OG SER A 126 -16.334 -0.688 13.220 1.00 71.45 O ATOM 0 H SER A 126 -14.836 -2.018 11.977 1.00 31.14 H new ATOM 0 HA SER A 126 -16.553 -0.427 10.524 1.00 11.11 H new ATOM 0 HB2 SER A 126 -14.651 0.408 12.770 1.00 50.14 H new ATOM 0 HB3 SER A 126 -16.173 1.175 12.360 1.00 50.14 H new ATOM 0 HG SER A 126 -16.389 -0.316 14.125 1.00 71.45 H new ATOM 1951 N SER A 127 -13.407 0.487 10.106 1.00 1.01 N ATOM 1952 CA SER A 127 -12.548 1.382 9.346 1.00 14.33 C ATOM 1953 C SER A 127 -12.690 1.069 7.860 1.00 72.04 C ATOM 1954 O SER A 127 -13.200 1.900 7.114 1.00 53.33 O ATOM 1955 CB SER A 127 -11.096 1.306 9.835 1.00 51.22 C ATOM 1956 OG SER A 127 -10.563 0.009 9.686 1.00 61.13 O ATOM 0 H SER A 127 -12.904 -0.201 10.666 1.00 1.01 H new ATOM 0 HA SER A 127 -12.860 2.414 9.504 1.00 14.33 H new ATOM 0 HB2 SER A 127 -10.486 2.016 9.277 1.00 51.22 H new ATOM 0 HB3 SER A 127 -11.049 1.601 10.883 1.00 51.22 H new ATOM 0 HG SER A 127 -11.240 -0.654 9.937 1.00 61.13 H new ATOM 1962 N ILE A 128 -12.280 -0.137 7.448 1.00 72.11 N ATOM 1963 CA ILE A 128 -12.353 -0.612 6.070 1.00 43.31 C ATOM 1964 C ILE A 128 -13.748 -0.405 5.470 1.00 70.34 C ATOM 1965 O ILE A 128 -13.861 0.005 4.320 1.00 13.10 O ATOM 1966 CB ILE A 128 -11.868 -2.068 5.958 1.00 42.53 C ATOM 1967 CG1 ILE A 128 -12.767 -3.027 6.751 1.00 42.53 C ATOM 1968 CG2 ILE A 128 -10.408 -2.157 6.431 1.00 45.42 C ATOM 1969 CD1 ILE A 128 -12.347 -4.491 6.670 1.00 13.44 C ATOM 0 H ILE A 128 -11.878 -0.825 8.085 1.00 72.11 H new ATOM 0 HA ILE A 128 -11.673 -0.006 5.471 1.00 43.31 H new ATOM 0 HB ILE A 128 -11.925 -2.375 4.914 1.00 42.53 H new ATOM 0 HG12 ILE A 128 -12.773 -2.720 7.797 1.00 42.53 H new ATOM 0 HG13 ILE A 128 -13.790 -2.934 6.386 1.00 42.53 H new ATOM 0 HG21 ILE A 128 -10.062 -3.188 6.353 1.00 45.42 H new ATOM 0 HG22 ILE A 128 -9.784 -1.517 5.808 1.00 45.42 H new ATOM 0 HG23 ILE A 128 -10.341 -1.830 7.469 1.00 45.42 H new ATOM 0 HD11 ILE A 128 -13.034 -5.100 7.257 1.00 13.44 H new ATOM 0 HD12 ILE A 128 -12.369 -4.819 5.631 1.00 13.44 H new ATOM 0 HD13 ILE A 128 -11.337 -4.602 7.064 1.00 13.44 H new ATOM 1981 N ASN A 129 -14.804 -0.646 6.258 1.00 24.21 N ATOM 1982 CA ASN A 129 -16.182 -0.402 5.863 1.00 51.21 C ATOM 1983 C ASN A 129 -16.384 1.067 5.483 1.00 65.52 C ATOM 1984 O ASN A 129 -16.849 1.354 4.383 1.00 51.12 O ATOM 1985 CB ASN A 129 -17.130 -0.841 6.984 1.00 61.24 C ATOM 1986 CG ASN A 129 -18.592 -0.630 6.603 1.00 43.01 C ATOM 1987 OD1 ASN A 129 -19.199 -1.485 5.963 1.00 32.24 O ATOM 1988 ND2 ASN A 129 -19.167 0.504 7.005 1.00 14.42 N ATOM 0 H ASN A 129 -14.715 -1.022 7.202 1.00 24.21 H new ATOM 0 HA ASN A 129 -16.413 -0.995 4.978 1.00 51.21 H new ATOM 0 HB2 ASN A 129 -16.962 -1.894 7.211 1.00 61.24 H new ATOM 0 HB3 ASN A 129 -16.906 -0.279 7.891 1.00 61.24 H new ATOM 0 HD21 ASN A 129 -20.146 0.686 6.783 1.00 14.42 H new ATOM 0 HD22 ASN A 129 -18.628 1.189 7.535 1.00 14.42 H new ATOM 1995 N ARG A 130 -16.017 1.998 6.374 1.00 63.24 N ATOM 1996 CA ARG A 130 -16.075 3.428 6.090 1.00 75.13 C ATOM 1997 C ARG A 130 -15.252 3.794 4.848 1.00 43.31 C ATOM 1998 O ARG A 130 -15.688 4.639 4.070 1.00 61.12 O ATOM 1999 CB ARG A 130 -15.621 4.245 7.311 1.00 23.33 C ATOM 2000 CG ARG A 130 -16.630 4.220 8.468 1.00 73.43 C ATOM 2001 CD ARG A 130 -17.797 5.185 8.224 1.00 43.21 C ATOM 2002 NE ARG A 130 -18.713 5.210 9.370 1.00 44.24 N ATOM 2003 CZ ARG A 130 -19.748 6.059 9.503 1.00 2.34 C ATOM 2004 NH1 ARG A 130 -20.033 6.945 8.537 1.00 14.01 N ATOM 2005 NH2 ARG A 130 -20.500 6.018 10.610 1.00 52.54 N ATOM 0 H ARG A 130 -15.673 1.776 7.308 1.00 63.24 H new ATOM 0 HA ARG A 130 -17.114 3.679 5.876 1.00 75.13 H new ATOM 0 HB2 ARG A 130 -14.665 3.858 7.663 1.00 23.33 H new ATOM 0 HB3 ARG A 130 -15.454 5.278 7.006 1.00 23.33 H new ATOM 0 HG2 ARG A 130 -17.015 3.208 8.593 1.00 73.43 H new ATOM 0 HG3 ARG A 130 -16.125 4.487 9.397 1.00 73.43 H new ATOM 0 HD2 ARG A 130 -17.411 6.188 8.042 1.00 43.21 H new ATOM 0 HD3 ARG A 130 -18.340 4.884 7.328 1.00 43.21 H new ATOM 0 HE ARG A 130 -18.554 4.536 10.119 1.00 44.24 H new ATOM 0 HH11 ARG A 130 -19.463 6.979 7.692 1.00 14.01 H new ATOM 0 HH12 ARG A 130 -20.820 7.584 8.647 1.00 14.01 H new ATOM 0 HH21 ARG A 130 -20.287 5.346 11.347 1.00 52.54 H new ATOM 0 HH22 ARG A 130 -21.286 6.659 10.717 1.00 52.54 H new ATOM 2019 N ILE A 131 -14.087 3.162 4.635 1.00 3.52 N ATOM 2020 CA ILE A 131 -13.289 3.415 3.440 1.00 4.21 C ATOM 2021 C ILE A 131 -14.100 3.018 2.199 1.00 4.45 C ATOM 2022 O ILE A 131 -14.241 3.815 1.275 1.00 70.12 O ATOM 2023 CB ILE A 131 -11.918 2.705 3.480 1.00 32.24 C ATOM 2024 CG1 ILE A 131 -11.113 2.884 4.781 1.00 23.14 C ATOM 2025 CG2 ILE A 131 -11.058 3.173 2.299 1.00 23.32 C ATOM 2026 CD1 ILE A 131 -11.156 4.274 5.422 1.00 32.33 C ATOM 0 H ILE A 131 -13.684 2.477 5.275 1.00 3.52 H new ATOM 0 HA ILE A 131 -13.065 4.481 3.397 1.00 4.21 H new ATOM 0 HB ILE A 131 -12.154 1.642 3.421 1.00 32.24 H new ATOM 0 HG12 ILE A 131 -11.477 2.160 5.510 1.00 23.14 H new ATOM 0 HG13 ILE A 131 -10.072 2.634 4.576 1.00 23.14 H new ATOM 0 HG21 ILE A 131 -10.092 2.670 2.331 1.00 23.32 H new ATOM 0 HG22 ILE A 131 -11.562 2.931 1.363 1.00 23.32 H new ATOM 0 HG23 ILE A 131 -10.908 4.251 2.363 1.00 23.32 H new ATOM 0 HD11 ILE A 131 -10.553 4.275 6.330 1.00 32.33 H new ATOM 0 HD12 ILE A 131 -10.760 5.010 4.722 1.00 32.33 H new ATOM 0 HD13 ILE A 131 -12.186 4.528 5.671 1.00 32.33 H new ATOM 2038 N ILE A 132 -14.661 1.802 2.191 1.00 34.13 N ATOM 2039 CA ILE A 132 -15.506 1.287 1.120 1.00 42.34 C ATOM 2040 C ILE A 132 -16.655 2.255 0.813 1.00 51.33 C ATOM 2041 O ILE A 132 -16.934 2.482 -0.361 1.00 61.30 O ATOM 2042 CB ILE A 132 -15.989 -0.143 1.444 1.00 73.33 C ATOM 2043 CG1 ILE A 132 -14.795 -1.116 1.394 1.00 40.12 C ATOM 2044 CG2 ILE A 132 -17.070 -0.607 0.454 1.00 14.33 C ATOM 2045 CD1 ILE A 132 -15.052 -2.414 2.164 1.00 34.24 C ATOM 0 H ILE A 132 -14.533 1.136 2.953 1.00 34.13 H new ATOM 0 HA ILE A 132 -14.914 1.216 0.207 1.00 42.34 H new ATOM 0 HB ILE A 132 -16.423 -0.135 2.444 1.00 73.33 H new ATOM 0 HG12 ILE A 132 -14.570 -1.355 0.354 1.00 40.12 H new ATOM 0 HG13 ILE A 132 -13.914 -0.624 1.806 1.00 40.12 H new ATOM 0 HG21 ILE A 132 -17.388 -1.618 0.710 1.00 14.33 H new ATOM 0 HG22 ILE A 132 -17.925 0.067 0.507 1.00 14.33 H new ATOM 0 HG23 ILE A 132 -16.664 -0.600 -0.558 1.00 14.33 H new ATOM 0 HD11 ILE A 132 -14.176 -3.059 2.093 1.00 34.24 H new ATOM 0 HD12 ILE A 132 -15.248 -2.183 3.211 1.00 34.24 H new ATOM 0 HD13 ILE A 132 -15.915 -2.925 1.737 1.00 34.24 H new ATOM 2057 N ARG A 133 -17.298 2.849 1.830 1.00 63.25 N ATOM 2058 CA ARG A 133 -18.336 3.848 1.605 1.00 31.33 C ATOM 2059 C ARG A 133 -17.859 4.995 0.711 1.00 73.40 C ATOM 2060 O ARG A 133 -18.530 5.315 -0.268 1.00 13.33 O ATOM 2061 CB ARG A 133 -18.908 4.394 2.920 1.00 35.52 C ATOM 2062 CG ARG A 133 -19.634 3.329 3.748 1.00 71.25 C ATOM 2063 CD ARG A 133 -20.436 4.002 4.867 1.00 4.41 C ATOM 2064 NE ARG A 133 -21.096 3.015 5.727 1.00 13.24 N ATOM 2065 CZ ARG A 133 -21.820 3.319 6.817 1.00 64.52 C ATOM 2066 NH1 ARG A 133 -22.010 4.597 7.177 1.00 74.21 N ATOM 2067 NH2 ARG A 133 -22.361 2.339 7.555 1.00 54.45 N ATOM 0 H ARG A 133 -17.112 2.650 2.813 1.00 63.25 H new ATOM 0 HA ARG A 133 -19.138 3.330 1.079 1.00 31.33 H new ATOM 0 HB2 ARG A 133 -18.098 4.817 3.514 1.00 35.52 H new ATOM 0 HB3 ARG A 133 -19.599 5.207 2.699 1.00 35.52 H new ATOM 0 HG2 ARG A 133 -20.300 2.749 3.109 1.00 71.25 H new ATOM 0 HG3 ARG A 133 -18.913 2.631 4.174 1.00 71.25 H new ATOM 0 HD2 ARG A 133 -19.772 4.623 5.468 1.00 4.41 H new ATOM 0 HD3 ARG A 133 -21.184 4.664 4.431 1.00 4.41 H new ATOM 0 HE ARG A 133 -20.999 2.030 5.481 1.00 13.24 H new ATOM 0 HH11 ARG A 133 -21.603 5.349 6.621 1.00 74.21 H new ATOM 0 HH12 ARG A 133 -22.561 4.817 8.006 1.00 74.21 H new ATOM 0 HH21 ARG A 133 -22.223 1.364 7.289 1.00 54.45 H new ATOM 0 HH22 ARG A 133 -22.911 2.568 8.383 1.00 54.45 H new ATOM 2081 N THR A 134 -16.714 5.612 1.032 1.00 31.45 N ATOM 2082 CA THR A 134 -16.203 6.742 0.260 1.00 34.21 C ATOM 2083 C THR A 134 -15.920 6.363 -1.199 1.00 71.40 C ATOM 2084 O THR A 134 -16.029 7.219 -2.075 1.00 52.33 O ATOM 2085 CB THR A 134 -14.980 7.390 0.929 1.00 2.24 C ATOM 2086 OG1 THR A 134 -13.877 6.513 0.957 1.00 21.31 O ATOM 2087 CG2 THR A 134 -15.294 7.866 2.350 1.00 41.21 C ATOM 0 H THR A 134 -16.127 5.344 1.822 1.00 31.45 H new ATOM 0 HA THR A 134 -16.993 7.493 0.244 1.00 34.21 H new ATOM 0 HB THR A 134 -14.722 8.258 0.322 1.00 2.24 H new ATOM 0 HG1 THR A 134 -14.193 5.593 1.079 1.00 21.31 H new ATOM 0 HG21 THR A 134 -14.404 8.318 2.787 1.00 41.21 H new ATOM 0 HG22 THR A 134 -16.096 8.603 2.318 1.00 41.21 H new ATOM 0 HG23 THR A 134 -15.606 7.017 2.958 1.00 41.21 H new