USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 MET CE :methyl 141:sc= -0.116 (180deg=-0.976) USER MOD Set 1.3: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0.926 USER MOD Set 2.2: A 83 THR OG1 : rot -98:sc= 1.04 USER MOD Set 3.1: A 76 ASN : amide:sc= -0.0423 K(o=-0.042,f=-1.8!) USER MOD Set 3.2: A 85 HIS : no HD1:sc= 0 X(o=-0.042,f=-0.057) USER MOD Set 4.1: A 58 ASN : amide:sc= 1.01 X(o=2.3,f=2.1) USER MOD Set 4.2: A 61 THR OG1 : rot -125:sc= 1.3 USER MOD Set 5.1: A 36 SER OG : rot -87:sc= 0.521 USER MOD Set 5.2: A 39 SER OG : rot 90:sc= 1.15 USER MOD Single : A 28 GLN : amide:sc= 0.736 K(o=0.74,f=-0.33) USER MOD Single : A 31 SER OG : rot -100:sc= 1.29 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9.5!) USER MOD Single : A 54 MET CE :methyl -127:sc= -0.753 (180deg=-2.29) USER MOD Single : A 56 THR OG1 : rot 52:sc= 0.136 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00917 USER MOD Single : A 63 SER OG : rot -160:sc= -0.804 USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0412) USER MOD Single : A 68 THR OG1 : rot -11:sc= 1.05 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -44:sc= 1.28 USER MOD Single : A 81 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.28) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -144:sc= 1.8 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 106 ASN : amide:sc= -0.0276 K(o=-0.028,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.234 -6.421 0.628 1.00 0.00 N ATOM 33 CA ASP A 25 1.156 -6.452 1.079 1.00 0.00 C ATOM 34 C ASP A 25 1.666 -5.037 1.326 1.00 0.00 C ATOM 35 O ASP A 25 2.860 -4.750 1.220 1.00 0.00 O ATOM 36 CB ASP A 25 2.023 -7.165 0.033 1.00 0.00 C ATOM 37 CG ASP A 25 3.357 -7.623 0.589 1.00 0.00 C ATOM 38 OD1 ASP A 25 3.364 -8.467 1.511 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.409 -7.156 0.098 1.00 0.00 O ATOM 0 HA ASP A 25 1.214 -7.002 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.481 -8.027 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.196 -6.493 -0.808 1.00 0.00 H new ATOM 44 N GLY A 26 0.747 -4.160 1.690 1.00 0.00 N ATOM 45 CA GLY A 26 1.083 -2.772 1.915 1.00 0.00 C ATOM 46 C GLY A 26 0.390 -1.869 0.919 1.00 0.00 C ATOM 47 O GLY A 26 0.123 -2.278 -0.210 1.00 0.00 O ATOM 0 H GLY A 26 -0.237 -4.388 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.798 -2.486 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.162 -2.640 1.839 1.00 0.00 H new ATOM 51 N VAL A 27 0.076 -0.656 1.334 1.00 0.00 N ATOM 52 CA VAL A 27 -0.555 0.305 0.445 1.00 0.00 C ATOM 53 C VAL A 27 0.464 1.328 -0.046 1.00 0.00 C ATOM 54 O VAL A 27 1.218 1.905 0.739 1.00 0.00 O ATOM 55 CB VAL A 27 -1.758 1.013 1.115 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.902 0.030 1.333 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.347 1.659 2.433 1.00 0.00 C ATOM 0 H VAL A 27 0.247 -0.312 2.279 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.941 -0.248 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.102 1.802 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.739 0.545 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.220 -0.376 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.566 -0.782 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.210 2.149 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.970 0.894 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.566 2.397 2.249 1.00 0.00 H new ATOM 67 N GLN A 28 0.503 1.528 -1.350 1.00 0.00 N ATOM 68 CA GLN A 28 1.487 2.411 -1.954 1.00 0.00 C ATOM 69 C GLN A 28 0.834 3.673 -2.505 1.00 0.00 C ATOM 70 O GLN A 28 -0.330 3.663 -2.917 1.00 0.00 O ATOM 71 CB GLN A 28 2.243 1.675 -3.065 1.00 0.00 C ATOM 72 CG GLN A 28 3.293 2.527 -3.759 1.00 0.00 C ATOM 73 CD GLN A 28 4.172 1.733 -4.701 1.00 0.00 C ATOM 74 OE1 GLN A 28 3.747 0.739 -5.281 1.00 0.00 O ATOM 75 NE2 GLN A 28 5.411 2.171 -4.861 1.00 0.00 N ATOM 0 H GLN A 28 -0.136 1.091 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 28 2.193 2.711 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.725 0.794 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.527 1.321 -3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.797 3.322 -4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.918 3.008 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.727 3.002 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.050 1.678 -5.485 1.00 0.00 H new ATOM 84 N ILE A 29 1.594 4.755 -2.494 1.00 0.00 N ATOM 85 CA ILE A 29 1.143 6.026 -3.026 1.00 0.00 C ATOM 86 C ILE A 29 1.330 6.052 -4.536 1.00 0.00 C ATOM 87 O ILE A 29 2.452 5.952 -5.032 1.00 0.00 O ATOM 88 CB ILE A 29 1.930 7.197 -2.403 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.785 7.180 -0.878 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.452 8.527 -2.976 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.642 8.211 -0.175 1.00 0.00 C ATOM 0 H ILE A 29 2.541 4.775 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 29 0.087 6.138 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 29 2.985 7.080 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.740 7.351 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.047 6.189 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.018 9.342 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.603 8.534 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.392 8.657 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.487 8.140 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.692 8.028 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.365 9.208 -0.516 1.00 0.00 H new ATOM 103 N ASP A 30 0.235 6.180 -5.256 1.00 0.00 N ATOM 104 CA ASP A 30 0.277 6.242 -6.707 1.00 0.00 C ATOM 105 C ASP A 30 0.681 7.634 -7.151 1.00 0.00 C ATOM 106 O ASP A 30 1.752 7.828 -7.722 1.00 0.00 O ATOM 107 CB ASP A 30 -1.088 5.893 -7.302 1.00 0.00 C ATOM 108 CG ASP A 30 -1.103 5.953 -8.819 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.317 7.053 -9.365 1.00 0.00 O ATOM 110 OD2 ASP A 30 -0.946 4.903 -9.474 1.00 0.00 O ATOM 0 H ASP A 30 -0.702 6.244 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 30 1.010 5.517 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.374 4.892 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.837 6.580 -6.909 1.00 0.00 H new ATOM 115 N SER A 31 -0.172 8.606 -6.858 1.00 0.00 N ATOM 116 CA SER A 31 0.072 9.972 -7.285 1.00 0.00 C ATOM 117 C SER A 31 -0.533 10.973 -6.310 1.00 0.00 C ATOM 118 O SER A 31 -1.471 10.656 -5.572 1.00 0.00 O ATOM 119 CB SER A 31 -0.486 10.185 -8.695 1.00 0.00 C ATOM 120 OG SER A 31 -1.771 9.598 -8.830 1.00 0.00 O ATOM 0 H SER A 31 -1.034 8.473 -6.329 1.00 0.00 H new ATOM 0 HA SER A 31 1.149 10.139 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.546 11.252 -8.908 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.194 9.751 -9.428 1.00 0.00 H new ATOM 0 HG SER A 31 -1.690 8.736 -9.289 1.00 0.00 H new ATOM 126 N VAL A 32 0.012 12.181 -6.314 1.00 0.00 N ATOM 127 CA VAL A 32 -0.423 13.229 -5.407 1.00 0.00 C ATOM 128 C VAL A 32 -1.021 14.389 -6.191 1.00 0.00 C ATOM 129 O VAL A 32 -0.323 15.058 -6.953 1.00 0.00 O ATOM 130 CB VAL A 32 0.753 13.745 -4.550 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.286 14.807 -3.569 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.432 12.598 -3.818 1.00 0.00 C ATOM 0 H VAL A 32 0.765 12.460 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.179 12.805 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 32 1.482 14.201 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.133 15.154 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.141 15.646 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.470 14.384 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.257 12.985 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.711 12.106 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.815 11.880 -4.543 1.00 0.00 H new ATOM 142 N VAL A 33 -2.314 14.610 -6.024 1.00 0.00 N ATOM 143 CA VAL A 33 -2.983 15.703 -6.692 1.00 0.00 C ATOM 144 C VAL A 33 -3.287 16.829 -5.706 1.00 0.00 C ATOM 145 O VAL A 33 -3.420 16.591 -4.501 1.00 0.00 O ATOM 146 CB VAL A 33 -4.288 15.237 -7.369 1.00 0.00 C ATOM 147 CG1 VAL A 33 -3.986 14.256 -8.494 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.243 14.622 -6.356 1.00 0.00 C ATOM 0 H VAL A 33 -2.919 14.043 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.310 16.074 -7.465 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.777 16.112 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.919 13.938 -8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.355 14.740 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.468 13.387 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.154 14.303 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.769 13.761 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.491 15.361 -5.594 1.00 0.00 H new ATOM 158 N PRO A 34 -3.385 18.074 -6.207 1.00 0.00 N ATOM 159 CA PRO A 34 -3.674 19.250 -5.377 1.00 0.00 C ATOM 160 C PRO A 34 -5.043 19.166 -4.709 1.00 0.00 C ATOM 161 O PRO A 34 -5.974 18.556 -5.241 1.00 0.00 O ATOM 162 CB PRO A 34 -3.641 20.417 -6.371 1.00 0.00 C ATOM 163 CG PRO A 34 -3.856 19.792 -7.703 1.00 0.00 C ATOM 164 CD PRO A 34 -3.219 18.434 -7.624 1.00 0.00 C ATOM 0 HA PRO A 34 -2.959 19.350 -4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.418 21.148 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.687 20.943 -6.331 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.919 19.713 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.404 20.391 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.711 17.718 -8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.168 18.463 -7.913 1.00 0.00 H new ATOM 172 N GLY A 35 -5.162 19.796 -3.550 1.00 0.00 N ATOM 173 CA GLY A 35 -6.388 19.717 -2.779 1.00 0.00 C ATOM 174 C GLY A 35 -6.190 18.895 -1.525 1.00 0.00 C ATOM 175 O GLY A 35 -7.128 18.655 -0.761 1.00 0.00 O ATOM 0 H GLY A 35 -4.428 20.364 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.718 20.721 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.176 19.274 -3.388 1.00 0.00 H new ATOM 179 N SER A 36 -4.955 18.469 -1.321 1.00 0.00 N ATOM 180 CA SER A 36 -4.589 17.671 -0.171 1.00 0.00 C ATOM 181 C SER A 36 -3.435 18.337 0.577 1.00 0.00 C ATOM 182 O SER A 36 -2.598 19.000 -0.036 1.00 0.00 O ATOM 183 CB SER A 36 -4.176 16.270 -0.637 1.00 0.00 C ATOM 184 OG SER A 36 -3.148 16.339 -1.617 1.00 0.00 O ATOM 0 H SER A 36 -4.179 18.669 -1.952 1.00 0.00 H new ATOM 0 HA SER A 36 -5.442 17.590 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.831 15.687 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.041 15.751 -1.049 1.00 0.00 H new ATOM 0 HG SER A 36 -3.549 16.436 -2.506 1.00 0.00 H new ATOM 190 N PRO A 37 -3.370 18.187 1.905 1.00 0.00 N ATOM 191 CA PRO A 37 -2.252 18.709 2.691 1.00 0.00 C ATOM 192 C PRO A 37 -0.963 17.963 2.365 1.00 0.00 C ATOM 193 O PRO A 37 0.137 18.486 2.525 1.00 0.00 O ATOM 194 CB PRO A 37 -2.670 18.456 4.148 1.00 0.00 C ATOM 195 CG PRO A 37 -4.126 18.130 4.094 1.00 0.00 C ATOM 196 CD PRO A 37 -4.364 17.513 2.747 1.00 0.00 C ATOM 0 HA PRO A 37 -2.053 19.761 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.100 17.635 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.487 19.334 4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.401 17.441 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.731 19.027 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.215 16.433 2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.380 17.689 2.394 1.00 0.00 H new ATOM 204 N ALA A 38 -1.127 16.743 1.864 1.00 0.00 N ATOM 205 CA ALA A 38 -0.007 15.872 1.544 1.00 0.00 C ATOM 206 C ALA A 38 0.699 16.300 0.262 1.00 0.00 C ATOM 207 O ALA A 38 1.768 15.779 -0.060 1.00 0.00 O ATOM 208 CB ALA A 38 -0.489 14.436 1.418 1.00 0.00 C ATOM 0 H ALA A 38 -2.040 16.333 1.669 1.00 0.00 H new ATOM 0 HA ALA A 38 0.715 15.947 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.355 13.789 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.934 14.118 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.234 14.370 0.625 1.00 0.00 H new ATOM 214 N SER A 39 0.113 17.268 -0.447 1.00 0.00 N ATOM 215 CA SER A 39 0.626 17.701 -1.746 1.00 0.00 C ATOM 216 C SER A 39 2.110 18.082 -1.698 1.00 0.00 C ATOM 217 O SER A 39 2.830 17.907 -2.683 1.00 0.00 O ATOM 218 CB SER A 39 -0.196 18.878 -2.273 1.00 0.00 C ATOM 219 OG SER A 39 -1.540 18.502 -2.532 1.00 0.00 O ATOM 0 H SER A 39 -0.721 17.768 -0.140 1.00 0.00 H new ATOM 0 HA SER A 39 0.532 16.852 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.178 19.690 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.258 19.260 -3.187 1.00 0.00 H new ATOM 0 HG SER A 39 -2.078 18.635 -1.724 1.00 0.00 H new ATOM 225 N LYS A 40 2.574 18.593 -0.561 1.00 0.00 N ATOM 226 CA LYS A 40 3.976 18.979 -0.430 1.00 0.00 C ATOM 227 C LYS A 40 4.604 18.369 0.817 1.00 0.00 C ATOM 228 O LYS A 40 5.628 18.847 1.306 1.00 0.00 O ATOM 229 CB LYS A 40 4.126 20.501 -0.391 1.00 0.00 C ATOM 230 CG LYS A 40 3.540 21.210 -1.603 1.00 0.00 C ATOM 231 CD LYS A 40 4.075 22.626 -1.742 1.00 0.00 C ATOM 232 CE LYS A 40 3.857 23.441 -0.480 1.00 0.00 C ATOM 233 NZ LYS A 40 4.431 24.805 -0.608 1.00 0.00 N ATOM 0 H LYS A 40 2.008 18.748 0.273 1.00 0.00 H new ATOM 0 HA LYS A 40 4.499 18.595 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.642 20.881 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.184 20.750 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.774 20.643 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.454 21.239 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.140 22.591 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.584 23.119 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.790 23.512 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.314 22.931 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.265 25.335 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.454 24.736 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.977 25.300 -1.402 1.00 0.00 H new ATOM 247 N VAL A 41 4.004 17.303 1.320 1.00 0.00 N ATOM 248 CA VAL A 41 4.528 16.632 2.502 1.00 0.00 C ATOM 249 C VAL A 41 5.245 15.343 2.118 1.00 0.00 C ATOM 250 O VAL A 41 6.391 15.114 2.511 1.00 0.00 O ATOM 251 CB VAL A 41 3.416 16.322 3.530 1.00 0.00 C ATOM 252 CG1 VAL A 41 3.976 15.561 4.724 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.745 17.607 3.987 1.00 0.00 C ATOM 0 H VAL A 41 3.159 16.884 0.932 1.00 0.00 H new ATOM 0 HA VAL A 41 5.238 17.316 2.967 1.00 0.00 H new ATOM 0 HB VAL A 41 2.671 15.691 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.174 15.355 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.411 14.621 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.745 16.162 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.964 17.372 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.485 18.259 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.304 18.112 3.128 1.00 0.00 H new ATOM 263 N LEU A 42 4.574 14.511 1.336 1.00 0.00 N ATOM 264 CA LEU A 42 5.141 13.246 0.911 1.00 0.00 C ATOM 265 C LEU A 42 5.420 13.232 -0.583 1.00 0.00 C ATOM 266 O LEU A 42 5.181 14.215 -1.291 1.00 0.00 O ATOM 267 CB LEU A 42 4.226 12.080 1.297 1.00 0.00 C ATOM 268 CG LEU A 42 2.718 12.330 1.180 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.275 12.330 -0.276 1.00 0.00 C ATOM 270 CD2 LEU A 42 1.957 11.286 1.979 1.00 0.00 C ATOM 0 H LEU A 42 3.634 14.692 0.984 1.00 0.00 H new ATOM 0 HA LEU A 42 6.093 13.125 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.480 11.225 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.447 11.799 2.327 1.00 0.00 H new ATOM 0 HG LEU A 42 2.496 13.315 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.201 12.510 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.802 13.116 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.504 11.364 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.886 11.470 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.187 10.293 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.251 11.345 3.027 1.00 0.00 H new ATOM 282 N THR A 43 5.934 12.110 -1.043 1.00 0.00 N ATOM 283 CA THR A 43 6.284 11.934 -2.440 1.00 0.00 C ATOM 284 C THR A 43 5.426 10.833 -3.057 1.00 0.00 C ATOM 285 O THR A 43 5.162 9.816 -2.414 1.00 0.00 O ATOM 286 CB THR A 43 7.775 11.555 -2.578 1.00 0.00 C ATOM 287 OG1 THR A 43 8.570 12.414 -1.748 1.00 0.00 O ATOM 288 CG2 THR A 43 8.243 11.668 -4.023 1.00 0.00 C ATOM 0 H THR A 43 6.121 11.294 -0.460 1.00 0.00 H new ATOM 0 HA THR A 43 6.104 12.874 -2.962 1.00 0.00 H new ATOM 0 HB THR A 43 7.892 10.519 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.515 12.171 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.296 11.395 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.655 10.997 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.113 12.694 -4.368 1.00 0.00 H new ATOM 296 N PRO A 44 4.937 11.027 -4.289 1.00 0.00 N ATOM 297 CA PRO A 44 4.264 9.960 -5.023 1.00 0.00 C ATOM 298 C PRO A 44 5.221 8.813 -5.328 1.00 0.00 C ATOM 299 O PRO A 44 6.397 9.033 -5.621 1.00 0.00 O ATOM 300 CB PRO A 44 3.789 10.629 -6.315 1.00 0.00 C ATOM 301 CG PRO A 44 4.619 11.863 -6.450 1.00 0.00 C ATOM 302 CD PRO A 44 4.987 12.287 -5.052 1.00 0.00 C ATOM 0 HA PRO A 44 3.444 9.522 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.924 9.969 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.728 10.873 -6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.512 11.667 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.064 12.650 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.978 12.739 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.287 13.024 -4.658 1.00 0.00 H new ATOM 310 N GLY A 45 4.721 7.594 -5.244 1.00 0.00 N ATOM 311 CA GLY A 45 5.556 6.434 -5.496 1.00 0.00 C ATOM 312 C GLY A 45 6.057 5.773 -4.227 1.00 0.00 C ATOM 313 O GLY A 45 6.654 4.693 -4.281 1.00 0.00 O ATOM 0 H GLY A 45 3.752 7.382 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.990 5.707 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.410 6.734 -6.104 1.00 0.00 H new ATOM 317 N LEU A 46 5.819 6.403 -3.083 1.00 0.00 N ATOM 318 CA LEU A 46 6.297 5.860 -1.816 1.00 0.00 C ATOM 319 C LEU A 46 5.350 4.782 -1.303 1.00 0.00 C ATOM 320 O LEU A 46 4.206 4.693 -1.740 1.00 0.00 O ATOM 321 CB LEU A 46 6.446 6.965 -0.764 1.00 0.00 C ATOM 322 CG LEU A 46 7.306 8.163 -1.174 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.560 9.065 0.023 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.611 7.707 -1.804 1.00 0.00 C ATOM 0 H LEU A 46 5.304 7.280 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 46 7.277 5.417 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.452 7.328 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.873 6.527 0.138 1.00 0.00 H new ATOM 0 HG LEU A 46 6.762 8.737 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.173 9.913 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.609 9.427 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.080 8.503 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.203 8.578 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.170 7.105 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.398 7.111 -2.691 1.00 0.00 H new ATOM 336 N VAL A 47 5.826 3.979 -0.363 1.00 0.00 N ATOM 337 CA VAL A 47 5.034 2.885 0.180 1.00 0.00 C ATOM 338 C VAL A 47 4.700 3.146 1.643 1.00 0.00 C ATOM 339 O VAL A 47 5.593 3.402 2.453 1.00 0.00 O ATOM 340 CB VAL A 47 5.781 1.536 0.069 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.906 0.389 0.553 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.248 1.296 -1.360 1.00 0.00 C ATOM 0 H VAL A 47 6.759 4.065 0.040 1.00 0.00 H new ATOM 0 HA VAL A 47 4.116 2.828 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 47 6.660 1.581 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.454 -0.549 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.634 0.554 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.002 0.340 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.771 0.341 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.386 1.277 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.922 2.098 -1.662 1.00 0.00 H new ATOM 352 N ILE A 48 3.419 3.080 1.976 1.00 0.00 N ATOM 353 CA ILE A 48 2.968 3.286 3.344 1.00 0.00 C ATOM 354 C ILE A 48 3.071 1.989 4.130 1.00 0.00 C ATOM 355 O ILE A 48 2.358 1.023 3.852 1.00 0.00 O ATOM 356 CB ILE A 48 1.510 3.795 3.385 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.384 5.111 2.612 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.040 3.968 4.825 1.00 0.00 C ATOM 359 CD1 ILE A 48 -0.037 5.630 2.501 1.00 0.00 C ATOM 0 H ILE A 48 2.670 2.884 1.312 1.00 0.00 H new ATOM 0 HA ILE A 48 3.611 4.042 3.795 1.00 0.00 H new ATOM 0 HB ILE A 48 0.871 3.052 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.999 5.867 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.788 4.971 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.011 4.327 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.093 3.010 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.679 4.691 5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.040 6.565 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.654 4.894 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.440 5.804 3.499 1.00 0.00 H new ATOM 371 N GLU A 49 3.966 1.970 5.105 1.00 0.00 N ATOM 372 CA GLU A 49 4.208 0.776 5.889 1.00 0.00 C ATOM 373 C GLU A 49 3.200 0.660 7.021 1.00 0.00 C ATOM 374 O GLU A 49 2.613 -0.401 7.239 1.00 0.00 O ATOM 375 CB GLU A 49 5.635 0.789 6.440 1.00 0.00 C ATOM 376 CG GLU A 49 6.697 0.868 5.351 1.00 0.00 C ATOM 377 CD GLU A 49 8.108 0.737 5.887 1.00 0.00 C ATOM 378 OE1 GLU A 49 8.405 1.318 6.949 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.930 0.054 5.235 1.00 0.00 O ATOM 0 H GLU A 49 4.537 2.772 5.371 1.00 0.00 H new ATOM 0 HA GLU A 49 4.090 -0.093 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.750 1.638 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.797 -0.111 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.518 0.080 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.601 1.818 4.826 1.00 0.00 H new ATOM 386 N SER A 50 2.982 1.753 7.733 1.00 0.00 N ATOM 387 CA SER A 50 2.062 1.733 8.856 1.00 0.00 C ATOM 388 C SER A 50 1.637 3.134 9.265 1.00 0.00 C ATOM 389 O SER A 50 2.373 4.103 9.072 1.00 0.00 O ATOM 390 CB SER A 50 2.698 1.008 10.046 1.00 0.00 C ATOM 391 OG SER A 50 4.002 1.499 10.310 1.00 0.00 O ATOM 0 H SER A 50 3.424 2.655 7.556 1.00 0.00 H new ATOM 0 HA SER A 50 1.168 1.196 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.073 1.136 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.744 -0.062 9.841 1.00 0.00 H new ATOM 0 HG SER A 50 4.383 1.020 11.075 1.00 0.00 H new ATOM 397 N ILE A 51 0.444 3.220 9.829 1.00 0.00 N ATOM 398 CA ILE A 51 -0.075 4.469 10.365 1.00 0.00 C ATOM 399 C ILE A 51 0.049 4.417 11.892 1.00 0.00 C ATOM 400 O ILE A 51 0.428 3.376 12.434 1.00 0.00 O ATOM 401 CB ILE A 51 -1.551 4.690 9.924 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.702 4.371 8.433 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.012 6.118 10.192 1.00 0.00 C ATOM 404 CD1 ILE A 51 -3.099 4.602 7.899 1.00 0.00 C ATOM 0 H ILE A 51 -0.192 2.428 9.929 1.00 0.00 H new ATOM 0 HA ILE A 51 0.498 5.311 9.978 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.177 4.019 10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.000 4.984 7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.425 3.330 8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.047 6.233 9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.938 6.330 11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.381 6.814 9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.128 4.355 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.804 3.969 8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.372 5.648 8.036 1.00 0.00 H new ATOM 416 N ASN A 52 -0.228 5.524 12.575 1.00 0.00 N ATOM 417 CA ASN A 52 -0.067 5.611 14.019 1.00 0.00 C ATOM 418 C ASN A 52 -0.859 4.530 14.756 1.00 0.00 C ATOM 419 O ASN A 52 -2.077 4.618 14.901 1.00 0.00 O ATOM 420 CB ASN A 52 -0.445 7.009 14.533 1.00 0.00 C ATOM 421 CG ASN A 52 -1.850 7.462 14.175 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.384 7.127 13.122 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.447 8.253 15.050 1.00 0.00 N ATOM 0 H ASN A 52 -0.569 6.382 12.143 1.00 0.00 H new ATOM 0 HA ASN A 52 0.988 5.438 14.231 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.340 7.022 15.618 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.267 7.732 14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.385 8.607 14.861 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.970 8.509 15.915 1.00 0.00 H new ATOM 430 N GLY A 53 -0.147 3.492 15.189 1.00 0.00 N ATOM 431 CA GLY A 53 -0.763 2.404 15.926 1.00 0.00 C ATOM 432 C GLY A 53 -1.576 1.476 15.045 1.00 0.00 C ATOM 433 O GLY A 53 -2.180 0.522 15.531 1.00 0.00 O ATOM 0 H GLY A 53 0.856 3.386 15.040 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.014 1.829 16.430 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.408 2.817 16.701 1.00 0.00 H new ATOM 437 N MET A 54 -1.590 1.746 13.748 1.00 0.00 N ATOM 438 CA MET A 54 -2.405 0.988 12.814 1.00 0.00 C ATOM 439 C MET A 54 -1.627 0.699 11.531 1.00 0.00 C ATOM 440 O MET A 54 -1.547 1.546 10.644 1.00 0.00 O ATOM 441 CB MET A 54 -3.678 1.771 12.482 1.00 0.00 C ATOM 442 CG MET A 54 -4.572 2.029 13.687 1.00 0.00 C ATOM 443 SD MET A 54 -5.897 3.205 13.344 1.00 0.00 S ATOM 444 CE MET A 54 -4.940 4.676 12.976 1.00 0.00 C ATOM 0 H MET A 54 -1.041 2.490 13.317 1.00 0.00 H new ATOM 0 HA MET A 54 -2.673 0.039 13.279 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.400 2.726 12.036 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.246 1.222 11.731 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.007 1.086 14.018 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.964 2.405 14.510 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.287 5.501 13.598 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.886 4.485 13.181 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.064 4.937 11.925 1.00 0.00 H new ATOM 454 N PRO A 55 -1.021 -0.491 11.425 1.00 0.00 N ATOM 455 CA PRO A 55 -0.272 -0.892 10.235 1.00 0.00 C ATOM 456 C PRO A 55 -1.194 -1.232 9.068 1.00 0.00 C ATOM 457 O PRO A 55 -2.177 -1.955 9.229 1.00 0.00 O ATOM 458 CB PRO A 55 0.503 -2.139 10.681 1.00 0.00 C ATOM 459 CG PRO A 55 0.277 -2.259 12.155 1.00 0.00 C ATOM 460 CD PRO A 55 -1.009 -1.541 12.446 1.00 0.00 C ATOM 0 HA PRO A 55 0.373 -0.089 9.877 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.148 -3.027 10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.565 -2.040 10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.214 -3.305 12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.103 -1.817 12.712 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.872 -2.202 12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.024 -1.127 13.454 1.00 0.00 H new ATOM 468 N THR A 56 -0.870 -0.718 7.893 1.00 0.00 N ATOM 469 CA THR A 56 -1.717 -0.897 6.729 1.00 0.00 C ATOM 470 C THR A 56 -1.068 -1.808 5.696 1.00 0.00 C ATOM 471 O THR A 56 -0.416 -1.348 4.759 1.00 0.00 O ATOM 472 CB THR A 56 -2.062 0.453 6.084 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.870 1.241 5.945 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.088 1.201 6.921 1.00 0.00 C ATOM 0 H THR A 56 -0.025 -0.173 7.722 1.00 0.00 H new ATOM 0 HA THR A 56 -2.636 -1.370 7.075 1.00 0.00 H new ATOM 0 HB THR A 56 -2.491 0.271 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.183 0.716 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.319 2.155 6.447 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.997 0.605 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.684 1.380 7.918 1.00 0.00 H new ATOM 482 N SER A 57 -1.225 -3.106 5.894 1.00 0.00 N ATOM 483 CA SER A 57 -0.714 -4.087 4.953 1.00 0.00 C ATOM 484 C SER A 57 -1.783 -4.438 3.924 1.00 0.00 C ATOM 485 O SER A 57 -1.502 -5.056 2.901 1.00 0.00 O ATOM 486 CB SER A 57 -0.261 -5.346 5.693 1.00 0.00 C ATOM 487 OG SER A 57 0.681 -5.033 6.706 1.00 0.00 O ATOM 0 H SER A 57 -1.704 -3.505 6.701 1.00 0.00 H new ATOM 0 HA SER A 57 0.144 -3.658 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.125 -5.841 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.181 -6.048 4.986 1.00 0.00 H new ATOM 0 HG SER A 57 0.953 -5.855 7.165 1.00 0.00 H new ATOM 493 N ASN A 58 -3.016 -4.047 4.196 1.00 0.00 N ATOM 494 CA ASN A 58 -4.125 -4.415 3.333 1.00 0.00 C ATOM 495 C ASN A 58 -4.909 -3.168 2.950 1.00 0.00 C ATOM 496 O ASN A 58 -4.650 -2.083 3.469 1.00 0.00 O ATOM 497 CB ASN A 58 -5.069 -5.400 4.037 1.00 0.00 C ATOM 498 CG ASN A 58 -4.368 -6.292 5.046 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.242 -5.936 6.220 1.00 0.00 O ATOM 500 ND2 ASN A 58 -3.920 -7.457 4.612 1.00 0.00 N ATOM 0 H ASN A 58 -3.274 -3.478 5.003 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.718 -4.894 2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.855 -4.839 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.555 -6.024 3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.452 -8.095 5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.042 -7.718 3.634 1.00 0.00 H new ATOM 507 N LEU A 59 -5.877 -3.329 2.061 1.00 0.00 N ATOM 508 CA LEU A 59 -6.724 -2.235 1.649 1.00 0.00 C ATOM 509 C LEU A 59 -7.791 -1.973 2.706 1.00 0.00 C ATOM 510 O LEU A 59 -8.116 -0.824 3.014 1.00 0.00 O ATOM 511 CB LEU A 59 -7.367 -2.581 0.309 1.00 0.00 C ATOM 512 CG LEU A 59 -6.430 -2.542 -0.896 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.169 -2.962 -2.154 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.842 -1.151 -1.068 1.00 0.00 C ATOM 0 H LEU A 59 -6.092 -4.219 1.611 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.128 -1.329 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.799 -3.579 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.190 -1.889 0.131 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.614 -3.243 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.488 -2.929 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.548 -3.977 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.003 -2.282 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.177 -1.141 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.647 -0.432 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.280 -0.880 -0.174 1.00 0.00 H new ATOM 526 N THR A 60 -8.311 -3.052 3.273 1.00 0.00 N ATOM 527 CA THR A 60 -9.356 -2.968 4.281 1.00 0.00 C ATOM 528 C THR A 60 -8.834 -2.328 5.568 1.00 0.00 C ATOM 529 O THR A 60 -9.504 -1.485 6.159 1.00 0.00 O ATOM 530 CB THR A 60 -9.917 -4.369 4.590 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.036 -5.117 3.370 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.278 -4.274 5.267 1.00 0.00 C ATOM 0 H THR A 60 -8.022 -4.004 3.049 1.00 0.00 H new ATOM 0 HA THR A 60 -10.152 -2.340 3.881 1.00 0.00 H new ATOM 0 HB THR A 60 -9.230 -4.875 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.391 -6.009 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.652 -5.277 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.182 -3.722 6.202 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.976 -3.755 4.610 1.00 0.00 H new ATOM 540 N THR A 61 -7.628 -2.710 5.988 1.00 0.00 N ATOM 541 CA THR A 61 -7.036 -2.158 7.201 1.00 0.00 C ATOM 542 C THR A 61 -6.748 -0.671 7.041 1.00 0.00 C ATOM 543 O THR A 61 -6.838 0.095 8.000 1.00 0.00 O ATOM 544 CB THR A 61 -5.744 -2.902 7.588 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.038 -3.310 6.410 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.059 -4.115 8.447 1.00 0.00 C ATOM 0 H THR A 61 -7.046 -3.396 5.507 1.00 0.00 H new ATOM 0 HA THR A 61 -7.763 -2.292 8.002 1.00 0.00 H new ATOM 0 HB THR A 61 -5.117 -2.222 8.164 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.872 -4.275 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.132 -4.626 8.709 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.567 -3.795 9.357 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.704 -4.796 7.892 1.00 0.00 H new ATOM 554 N TYR A 62 -6.419 -0.270 5.819 1.00 0.00 N ATOM 555 CA TYR A 62 -6.238 1.137 5.501 1.00 0.00 C ATOM 556 C TYR A 62 -7.547 1.886 5.724 1.00 0.00 C ATOM 557 O TYR A 62 -7.571 2.956 6.327 1.00 0.00 O ATOM 558 CB TYR A 62 -5.769 1.299 4.047 1.00 0.00 C ATOM 559 CG TYR A 62 -5.570 2.737 3.610 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.392 3.417 3.897 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.562 3.414 2.909 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.208 4.728 3.495 1.00 0.00 C ATOM 563 CE2 TYR A 62 -6.387 4.723 2.504 1.00 0.00 C ATOM 564 CZ TYR A 62 -5.209 5.378 2.801 1.00 0.00 C ATOM 565 OH TYR A 62 -5.029 6.681 2.398 1.00 0.00 O ATOM 0 H TYR A 62 -6.272 -0.902 5.032 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.474 1.555 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.830 0.760 3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.499 0.829 3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.608 2.914 4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.487 2.907 2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.285 5.241 3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.168 5.231 1.958 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.828 6.989 1.921 1.00 0.00 H new ATOM 575 N SER A 63 -8.637 1.294 5.258 1.00 0.00 N ATOM 576 CA SER A 63 -9.957 1.888 5.403 1.00 0.00 C ATOM 577 C SER A 63 -10.378 1.893 6.874 1.00 0.00 C ATOM 578 O SER A 63 -10.916 2.882 7.369 1.00 0.00 O ATOM 579 CB SER A 63 -10.975 1.103 4.563 1.00 0.00 C ATOM 580 OG SER A 63 -12.155 1.861 4.329 1.00 0.00 O ATOM 0 H SER A 63 -8.632 0.397 4.773 1.00 0.00 H new ATOM 0 HA SER A 63 -9.922 2.918 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.525 0.826 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.233 0.176 5.075 1.00 0.00 H new ATOM 0 HG SER A 63 -12.888 1.258 4.084 1.00 0.00 H new ATOM 586 N ALA A 64 -10.101 0.793 7.572 1.00 0.00 N ATOM 587 CA ALA A 64 -10.461 0.654 8.981 1.00 0.00 C ATOM 588 C ALA A 64 -9.779 1.724 9.823 1.00 0.00 C ATOM 589 O ALA A 64 -10.342 2.222 10.799 1.00 0.00 O ATOM 590 CB ALA A 64 -10.099 -0.735 9.488 1.00 0.00 C ATOM 0 H ALA A 64 -9.625 -0.020 7.181 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.539 0.787 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.374 -0.822 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.637 -1.485 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.026 -0.894 9.379 1.00 0.00 H new ATOM 596 N ALA A 65 -8.566 2.079 9.433 1.00 0.00 N ATOM 597 CA ALA A 65 -7.835 3.143 10.099 1.00 0.00 C ATOM 598 C ALA A 65 -8.435 4.497 9.738 1.00 0.00 C ATOM 599 O ALA A 65 -8.688 5.333 10.604 1.00 0.00 O ATOM 600 CB ALA A 65 -6.361 3.095 9.720 1.00 0.00 C ATOM 0 H ALA A 65 -8.066 1.645 8.657 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.916 3.001 11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.828 3.899 10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.940 2.135 10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.258 3.216 8.642 1.00 0.00 H new ATOM 606 N LEU A 66 -8.700 4.677 8.452 1.00 0.00 N ATOM 607 CA LEU A 66 -9.223 5.923 7.919 1.00 0.00 C ATOM 608 C LEU A 66 -10.573 6.287 8.535 1.00 0.00 C ATOM 609 O LEU A 66 -10.837 7.452 8.822 1.00 0.00 O ATOM 610 CB LEU A 66 -9.353 5.781 6.406 1.00 0.00 C ATOM 611 CG LEU A 66 -8.264 6.467 5.578 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.446 7.970 5.617 1.00 0.00 C ATOM 613 CD2 LEU A 66 -6.877 6.093 6.082 1.00 0.00 C ATOM 0 H LEU A 66 -8.556 3.956 7.745 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.534 6.729 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.357 4.719 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.320 6.183 6.104 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.355 6.124 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.665 8.447 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.422 8.229 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.382 8.318 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.122 6.594 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.772 6.403 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.742 5.014 6.010 1.00 0.00 H new ATOM 625 N LYS A 67 -11.409 5.280 8.761 1.00 0.00 N ATOM 626 CA LYS A 67 -12.757 5.494 9.283 1.00 0.00 C ATOM 627 C LYS A 67 -12.746 6.057 10.706 1.00 0.00 C ATOM 628 O LYS A 67 -13.769 6.534 11.193 1.00 0.00 O ATOM 629 CB LYS A 67 -13.555 4.190 9.251 1.00 0.00 C ATOM 630 CG LYS A 67 -13.812 3.661 7.849 1.00 0.00 C ATOM 631 CD LYS A 67 -14.480 2.295 7.881 1.00 0.00 C ATOM 632 CE LYS A 67 -14.653 1.713 6.484 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.583 2.517 5.653 1.00 0.00 N ATOM 0 H LYS A 67 -11.177 4.302 8.590 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.234 6.232 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.018 3.433 9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.511 4.348 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.443 4.363 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.869 3.593 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.883 1.613 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.454 2.379 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.682 1.660 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.027 0.692 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.750 2.031 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.486 2.633 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.166 3.452 5.471 1.00 0.00 H new ATOM 647 N THR A 68 -11.604 6.001 11.377 1.00 0.00 N ATOM 648 CA THR A 68 -11.513 6.510 12.740 1.00 0.00 C ATOM 649 C THR A 68 -10.903 7.908 12.776 1.00 0.00 C ATOM 650 O THR A 68 -10.965 8.594 13.796 1.00 0.00 O ATOM 651 CB THR A 68 -10.712 5.567 13.665 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.391 5.346 13.154 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.424 4.234 13.815 1.00 0.00 C ATOM 0 H THR A 68 -10.737 5.613 11.006 1.00 0.00 H new ATOM 0 HA THR A 68 -12.536 6.562 13.114 1.00 0.00 H new ATOM 0 HB THR A 68 -10.637 6.047 14.641 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.330 5.697 12.241 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.844 3.584 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.412 4.396 14.246 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.527 3.765 12.837 1.00 0.00 H new ATOM 661 N ILE A 69 -10.315 8.326 11.661 1.00 0.00 N ATOM 662 CA ILE A 69 -9.631 9.612 11.600 1.00 0.00 C ATOM 663 C ILE A 69 -10.609 10.718 11.200 1.00 0.00 C ATOM 664 O ILE A 69 -11.521 10.498 10.400 1.00 0.00 O ATOM 665 CB ILE A 69 -8.453 9.582 10.599 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.644 8.286 10.743 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.549 10.784 10.815 1.00 0.00 C ATOM 668 CD1 ILE A 69 -7.058 8.066 12.124 1.00 0.00 C ATOM 0 H ILE A 69 -10.298 7.795 10.790 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.234 9.817 12.594 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.864 9.621 9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.286 7.441 10.495 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.833 8.295 10.014 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.724 10.751 10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.120 11.700 10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.154 10.764 11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.502 7.128 12.138 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.387 8.889 12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.863 8.022 12.858 1.00 0.00 H new ATOM 680 N SER A 70 -10.425 11.904 11.764 1.00 0.00 N ATOM 681 CA SER A 70 -11.309 13.027 11.490 1.00 0.00 C ATOM 682 C SER A 70 -10.652 14.036 10.539 1.00 0.00 C ATOM 683 O SER A 70 -9.460 13.939 10.244 1.00 0.00 O ATOM 684 CB SER A 70 -11.701 13.709 12.803 1.00 0.00 C ATOM 685 OG SER A 70 -12.379 12.809 13.668 1.00 0.00 O ATOM 0 H SER A 70 -9.669 12.113 12.416 1.00 0.00 H new ATOM 0 HA SER A 70 -12.205 12.646 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.808 14.090 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.340 14.567 12.593 1.00 0.00 H new ATOM 0 HG SER A 70 -12.616 13.270 14.499 1.00 0.00 H new ATOM 691 N VAL A 71 -11.434 15.008 10.072 1.00 0.00 N ATOM 692 CA VAL A 71 -10.951 16.017 9.132 1.00 0.00 C ATOM 693 C VAL A 71 -10.201 17.120 9.870 1.00 0.00 C ATOM 694 O VAL A 71 -10.773 17.827 10.703 1.00 0.00 O ATOM 695 CB VAL A 71 -12.112 16.656 8.339 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.574 17.607 7.281 1.00 0.00 C ATOM 697 CG2 VAL A 71 -12.996 15.590 7.706 1.00 0.00 C ATOM 0 H VAL A 71 -12.414 15.118 10.333 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.282 15.511 8.436 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.725 17.226 9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.406 18.048 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.997 18.397 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.934 17.058 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.805 16.069 7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.401 14.982 7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.415 14.955 8.486 1.00 0.00 H new ATOM 707 N GLY A 72 -8.927 17.264 9.553 1.00 0.00 N ATOM 708 CA GLY A 72 -8.097 18.242 10.225 1.00 0.00 C ATOM 709 C GLY A 72 -7.199 17.592 11.255 1.00 0.00 C ATOM 710 O GLY A 72 -6.396 18.259 11.912 1.00 0.00 O ATOM 0 H GLY A 72 -8.448 16.718 8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.488 18.770 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.729 18.986 10.709 1.00 0.00 H new ATOM 714 N GLU A 73 -7.344 16.286 11.388 1.00 0.00 N ATOM 715 CA GLU A 73 -6.553 15.510 12.324 1.00 0.00 C ATOM 716 C GLU A 73 -5.254 15.069 11.663 1.00 0.00 C ATOM 717 O GLU A 73 -5.205 14.862 10.447 1.00 0.00 O ATOM 718 CB GLU A 73 -7.359 14.304 12.792 1.00 0.00 C ATOM 719 CG GLU A 73 -6.717 13.513 13.916 1.00 0.00 C ATOM 720 CD GLU A 73 -7.657 12.478 14.499 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.538 11.980 13.769 1.00 0.00 O ATOM 722 OE2 GLU A 73 -7.521 12.158 15.697 1.00 0.00 O ATOM 0 H GLU A 73 -8.013 15.734 10.851 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.305 16.123 13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.341 14.645 13.120 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.520 13.639 11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.821 13.018 13.543 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.399 14.197 14.703 1.00 0.00 H new ATOM 729 N VAL A 74 -4.212 14.939 12.462 1.00 0.00 N ATOM 730 CA VAL A 74 -2.894 14.584 11.958 1.00 0.00 C ATOM 731 C VAL A 74 -2.501 13.181 12.411 1.00 0.00 C ATOM 732 O VAL A 74 -2.501 12.881 13.607 1.00 0.00 O ATOM 733 CB VAL A 74 -1.818 15.591 12.426 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.445 15.207 11.896 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.178 17.003 11.993 1.00 0.00 C ATOM 0 H VAL A 74 -4.252 15.075 13.472 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.949 14.612 10.870 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.783 15.562 13.515 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.293 15.931 12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.178 14.215 12.262 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.465 15.199 10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.408 17.695 12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.249 17.043 10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.136 17.284 12.429 1.00 0.00 H new ATOM 745 N ILE A 75 -2.167 12.334 11.451 1.00 0.00 N ATOM 746 CA ILE A 75 -1.780 10.961 11.735 1.00 0.00 C ATOM 747 C ILE A 75 -0.291 10.738 11.473 1.00 0.00 C ATOM 748 O ILE A 75 0.366 11.550 10.816 1.00 0.00 O ATOM 749 CB ILE A 75 -2.610 9.956 10.906 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.515 10.278 9.411 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.060 9.962 11.368 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.280 9.315 8.523 1.00 0.00 C ATOM 0 H ILE A 75 -2.156 12.576 10.460 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.980 10.788 12.792 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.202 8.957 11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.890 11.288 9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.466 10.274 9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.634 9.249 10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.108 9.681 12.420 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.479 10.960 11.240 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.163 9.611 7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.891 8.306 8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.337 9.335 8.790 1.00 0.00 H new ATOM 764 N ASN A 76 0.236 9.638 11.994 1.00 0.00 N ATOM 765 CA ASN A 76 1.653 9.329 11.876 1.00 0.00 C ATOM 766 C ASN A 76 1.858 8.184 10.889 1.00 0.00 C ATOM 767 O ASN A 76 1.413 7.071 11.128 1.00 0.00 O ATOM 768 CB ASN A 76 2.203 8.968 13.260 1.00 0.00 C ATOM 769 CG ASN A 76 3.625 8.454 13.228 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.576 9.229 13.285 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.772 7.142 13.157 1.00 0.00 N ATOM 0 H ASN A 76 -0.303 8.940 12.507 1.00 0.00 H new ATOM 0 HA ASN A 76 2.192 10.197 11.498 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.157 9.848 13.901 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.561 8.211 13.711 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.706 6.733 13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.951 6.539 13.111 1.00 0.00 H new ATOM 778 N ILE A 77 2.517 8.465 9.777 1.00 0.00 N ATOM 779 CA ILE A 77 2.694 7.470 8.723 1.00 0.00 C ATOM 780 C ILE A 77 4.166 7.152 8.510 1.00 0.00 C ATOM 781 O ILE A 77 4.947 8.011 8.104 1.00 0.00 O ATOM 782 CB ILE A 77 2.079 7.949 7.388 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.575 8.191 7.552 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.337 6.934 6.283 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.100 8.706 6.300 1.00 0.00 C ATOM 0 H ILE A 77 2.939 9.372 9.577 1.00 0.00 H new ATOM 0 HA ILE A 77 2.176 6.568 9.048 1.00 0.00 H new ATOM 0 HB ILE A 77 2.555 8.889 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.097 7.259 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.417 8.906 8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.896 7.290 5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.411 6.806 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.889 5.978 6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.163 8.853 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.350 9.655 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.025 7.982 5.495 1.00 0.00 H new ATOM 797 N THR A 78 4.536 5.917 8.796 1.00 0.00 N ATOM 798 CA THR A 78 5.888 5.450 8.566 1.00 0.00 C ATOM 799 C THR A 78 5.987 4.800 7.193 1.00 0.00 C ATOM 800 O THR A 78 5.203 3.907 6.860 1.00 0.00 O ATOM 801 CB THR A 78 6.325 4.451 9.658 1.00 0.00 C ATOM 802 OG1 THR A 78 6.293 5.096 10.938 1.00 0.00 O ATOM 803 CG2 THR A 78 7.726 3.916 9.392 1.00 0.00 C ATOM 0 H THR A 78 3.911 5.215 9.192 1.00 0.00 H new ATOM 0 HA THR A 78 6.557 6.310 8.607 1.00 0.00 H new ATOM 0 HB THR A 78 5.632 3.610 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.569 4.461 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.003 3.215 10.179 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.744 3.406 8.429 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.435 4.744 9.377 1.00 0.00 H new ATOM 811 N THR A 79 6.922 5.279 6.388 1.00 0.00 N ATOM 812 CA THR A 79 7.137 4.738 5.060 1.00 0.00 C ATOM 813 C THR A 79 8.584 4.295 4.900 1.00 0.00 C ATOM 814 O THR A 79 9.400 4.472 5.810 1.00 0.00 O ATOM 815 CB THR A 79 6.811 5.778 3.965 1.00 0.00 C ATOM 816 OG1 THR A 79 7.716 6.888 4.049 1.00 0.00 O ATOM 817 CG2 THR A 79 5.381 6.280 4.092 1.00 0.00 C ATOM 0 H THR A 79 7.547 6.046 6.636 1.00 0.00 H new ATOM 0 HA THR A 79 6.469 3.885 4.945 1.00 0.00 H new ATOM 0 HB THR A 79 6.923 5.288 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.823 7.152 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.181 7.010 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.691 5.442 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.245 6.748 5.067 1.00 0.00 H new ATOM 825 N ASP A 80 8.895 3.731 3.738 1.00 0.00 N ATOM 826 CA ASP A 80 10.269 3.371 3.391 1.00 0.00 C ATOM 827 C ASP A 80 11.167 4.600 3.450 1.00 0.00 C ATOM 828 O ASP A 80 12.329 4.528 3.844 1.00 0.00 O ATOM 829 CB ASP A 80 10.311 2.785 1.981 1.00 0.00 C ATOM 830 CG ASP A 80 11.681 2.268 1.597 1.00 0.00 C ATOM 831 OD1 ASP A 80 12.299 1.536 2.402 1.00 0.00 O ATOM 832 OD2 ASP A 80 12.133 2.573 0.479 1.00 0.00 O ATOM 0 H ASP A 80 8.210 3.511 3.015 1.00 0.00 H new ATOM 0 HA ASP A 80 10.626 2.630 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.589 1.972 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.003 3.549 1.267 1.00 0.00 H new ATOM 837 N GLN A 81 10.589 5.739 3.098 1.00 0.00 N ATOM 838 CA GLN A 81 11.320 6.989 3.039 1.00 0.00 C ATOM 839 C GLN A 81 11.258 7.725 4.364 1.00 0.00 C ATOM 840 O GLN A 81 11.526 8.926 4.440 1.00 0.00 O ATOM 841 CB GLN A 81 10.752 7.858 1.931 1.00 0.00 C ATOM 842 CG GLN A 81 10.990 7.287 0.552 1.00 0.00 C ATOM 843 CD GLN A 81 12.424 6.854 0.366 1.00 0.00 C ATOM 844 OE1 GLN A 81 12.763 5.680 0.480 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.283 7.825 0.178 1.00 0.00 N ATOM 0 H GLN A 81 9.604 5.819 2.847 1.00 0.00 H new ATOM 0 HA GLN A 81 12.366 6.767 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.680 7.982 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.199 8.850 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.329 6.435 0.392 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.735 8.034 -0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.954 8.786 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.280 7.620 0.121 1.00 0.00 H new ATOM 854 N GLY A 82 10.897 6.999 5.399 1.00 0.00 N ATOM 855 CA GLY A 82 10.882 7.556 6.733 1.00 0.00 C ATOM 856 C GLY A 82 9.481 7.786 7.245 1.00 0.00 C ATOM 857 O GLY A 82 8.504 7.527 6.542 1.00 0.00 O ATOM 0 H GLY A 82 10.610 6.022 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.408 6.883 7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.426 8.500 6.736 1.00 0.00 H new ATOM 861 N THR A 83 9.379 8.263 8.470 1.00 0.00 N ATOM 862 CA THR A 83 8.091 8.548 9.073 1.00 0.00 C ATOM 863 C THR A 83 7.719 10.016 8.879 1.00 0.00 C ATOM 864 O THR A 83 8.534 10.909 9.114 1.00 0.00 O ATOM 865 CB THR A 83 8.104 8.207 10.576 1.00 0.00 C ATOM 866 OG1 THR A 83 8.477 6.834 10.758 1.00 0.00 O ATOM 867 CG2 THR A 83 6.743 8.445 11.204 1.00 0.00 C ATOM 0 H THR A 83 10.178 8.463 9.071 1.00 0.00 H new ATOM 0 HA THR A 83 7.345 7.926 8.579 1.00 0.00 H new ATOM 0 HB THR A 83 8.829 8.858 11.064 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.671 6.289 10.879 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.783 8.196 12.264 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.467 9.493 11.088 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.000 7.817 10.712 1.00 0.00 H new ATOM 875 N PHE A 84 6.497 10.256 8.427 1.00 0.00 N ATOM 876 CA PHE A 84 5.998 11.606 8.233 1.00 0.00 C ATOM 877 C PHE A 84 4.694 11.794 8.997 1.00 0.00 C ATOM 878 O PHE A 84 4.022 10.820 9.345 1.00 0.00 O ATOM 879 CB PHE A 84 5.756 11.886 6.747 1.00 0.00 C ATOM 880 CG PHE A 84 6.968 11.708 5.874 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.909 12.719 5.755 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.158 10.534 5.161 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.017 12.560 4.946 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.265 10.371 4.352 1.00 0.00 C ATOM 885 CZ PHE A 84 9.195 11.385 4.242 1.00 0.00 C ATOM 0 H PHE A 84 5.828 9.524 8.186 1.00 0.00 H new ATOM 0 HA PHE A 84 6.748 12.303 8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.966 11.225 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.391 12.907 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.774 13.641 6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.432 9.738 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.744 13.354 4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.403 9.450 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.060 11.260 3.607 1.00 0.00 H new ATOM 895 N HIS A 85 4.339 13.038 9.261 1.00 0.00 N ATOM 896 CA HIS A 85 3.057 13.344 9.875 1.00 0.00 C ATOM 897 C HIS A 85 2.138 13.947 8.833 1.00 0.00 C ATOM 898 O HIS A 85 2.479 14.940 8.190 1.00 0.00 O ATOM 899 CB HIS A 85 3.215 14.311 11.044 1.00 0.00 C ATOM 900 CG HIS A 85 4.095 13.801 12.139 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.323 14.348 12.436 1.00 0.00 N ATOM 902 CD2 HIS A 85 3.915 12.788 13.015 1.00 0.00 C ATOM 903 CE1 HIS A 85 5.861 13.691 13.445 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.025 12.739 13.817 1.00 0.00 N ATOM 0 H HIS A 85 4.919 13.853 9.061 1.00 0.00 H new ATOM 0 HA HIS A 85 2.631 12.419 10.262 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.623 15.251 10.672 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.230 14.531 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.055 12.137 13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.823 13.897 13.891 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.180 12.076 14.577 1.00 0.00 H new ATOM 913 N LEU A 86 0.983 13.344 8.660 1.00 0.00 N ATOM 914 CA LEU A 86 0.069 13.754 7.624 1.00 0.00 C ATOM 915 C LEU A 86 -1.232 14.271 8.195 1.00 0.00 C ATOM 916 O LEU A 86 -1.803 13.691 9.116 1.00 0.00 O ATOM 917 CB LEU A 86 -0.221 12.590 6.695 1.00 0.00 C ATOM 918 CG LEU A 86 0.665 12.496 5.451 1.00 0.00 C ATOM 919 CD1 LEU A 86 0.651 13.813 4.688 1.00 0.00 C ATOM 920 CD2 LEU A 86 2.086 12.104 5.825 1.00 0.00 C ATOM 0 H LEU A 86 0.655 12.563 9.229 1.00 0.00 H new ATOM 0 HA LEU A 86 0.545 14.564 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.120 11.664 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.261 12.656 6.374 1.00 0.00 H new ATOM 0 HG LEU A 86 0.262 11.718 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.286 13.729 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.369 14.044 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.026 14.610 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.696 12.044 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.505 12.853 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.077 11.134 6.322 1.00 0.00 H new ATOM 932 N LYS A 87 -1.683 15.368 7.639 1.00 0.00 N ATOM 933 CA LYS A 87 -2.975 15.925 7.981 1.00 0.00 C ATOM 934 C LYS A 87 -4.006 15.438 6.979 1.00 0.00 C ATOM 935 O LYS A 87 -3.743 15.406 5.776 1.00 0.00 O ATOM 936 CB LYS A 87 -2.921 17.455 7.987 1.00 0.00 C ATOM 937 CG LYS A 87 -4.248 18.107 8.342 1.00 0.00 C ATOM 938 CD LYS A 87 -4.166 19.624 8.286 1.00 0.00 C ATOM 939 CE LYS A 87 -5.509 20.262 8.606 1.00 0.00 C ATOM 940 NZ LYS A 87 -5.440 21.746 8.598 1.00 0.00 N ATOM 0 H LYS A 87 -1.169 15.901 6.938 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.254 15.595 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.163 17.781 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.606 17.803 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.019 17.759 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.549 17.796 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.416 19.976 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.840 19.936 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.250 19.930 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.848 19.921 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.377 22.138 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.753 22.065 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.142 22.075 7.657 1.00 0.00 H new ATOM 954 N THR A 88 -5.161 15.036 7.474 1.00 0.00 N ATOM 955 CA THR A 88 -6.228 14.559 6.613 1.00 0.00 C ATOM 956 C THR A 88 -6.745 15.674 5.713 1.00 0.00 C ATOM 957 O THR A 88 -6.810 16.839 6.119 1.00 0.00 O ATOM 958 CB THR A 88 -7.369 13.964 7.444 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.852 14.924 8.393 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.878 12.729 8.178 1.00 0.00 C ATOM 0 H THR A 88 -5.385 15.030 8.469 1.00 0.00 H new ATOM 0 HA THR A 88 -5.820 13.774 5.977 1.00 0.00 H new ATOM 0 HB THR A 88 -8.183 13.692 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.102 14.467 9.223 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.692 12.309 8.768 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.534 11.989 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.055 13.001 8.838 1.00 0.00 H new ATOM 968 N GLY A 89 -7.091 15.308 4.488 1.00 0.00 N ATOM 969 CA GLY A 89 -7.496 16.280 3.507 1.00 0.00 C ATOM 970 C GLY A 89 -8.864 16.854 3.763 1.00 0.00 C ATOM 971 O GLY A 89 -9.543 16.499 4.728 1.00 0.00 O ATOM 0 H GLY A 89 -7.097 14.343 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.768 17.091 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.483 15.817 2.520 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.748 12.430 6.822 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.333 12.217 6.523 1.00 0.00 C ATOM 1103 C ALA A 98 -10.122 11.831 5.062 1.00 0.00 C ATOM 1104 O ALA A 98 -10.138 10.654 4.715 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.749 11.152 7.443 1.00 0.00 C ATOM 0 HA ALA A 98 -9.812 13.158 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.695 11.006 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.848 11.473 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.286 10.214 7.301 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.926 12.814 4.195 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.788 12.512 2.778 1.00 0.00 C ATOM 1113 C TYR A 99 -8.364 12.791 2.326 1.00 0.00 C ATOM 1114 O TYR A 99 -8.026 13.927 2.017 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.781 13.327 1.952 1.00 0.00 C ATOM 1116 CG TYR A 99 -11.308 12.590 0.741 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.635 12.622 -0.475 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -12.491 11.866 0.816 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -11.129 11.953 -1.580 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -12.989 11.194 -0.281 1.00 0.00 C ATOM 1121 CZ TYR A 99 -12.306 11.241 -1.478 1.00 0.00 C ATOM 1122 OH TYR A 99 -12.802 10.575 -2.573 1.00 0.00 O ATOM 0 H TYR A 99 -9.860 13.802 4.438 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.007 11.456 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.620 13.613 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.299 14.249 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.713 13.178 -0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -13.031 11.828 1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.596 11.988 -2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.909 10.634 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.637 10.123 -2.330 1.00 0.00 H new ATOM 1132 N MET A 100 -7.543 11.744 2.305 1.00 0.00 N ATOM 1133 CA MET A 100 -6.108 11.866 2.031 1.00 0.00 C ATOM 1134 C MET A 100 -5.830 12.749 0.812 1.00 0.00 C ATOM 1135 O MET A 100 -5.069 13.708 0.898 1.00 0.00 O ATOM 1136 CB MET A 100 -5.494 10.481 1.831 1.00 0.00 C ATOM 1137 CG MET A 100 -3.976 10.495 1.764 1.00 0.00 C ATOM 1138 SD MET A 100 -3.216 11.112 3.283 1.00 0.00 S ATOM 1139 CE MET A 100 -3.758 9.874 4.463 1.00 0.00 C ATOM 0 H MET A 100 -7.850 10.787 2.477 1.00 0.00 H new ATOM 0 HA MET A 100 -5.647 12.347 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.808 9.832 2.648 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.886 10.048 0.911 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.616 9.485 1.567 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.659 11.116 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.949 9.658 5.161 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.621 10.249 5.013 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.033 8.962 3.933 1.00 0.00 H new ATOM 1149 N GLY A 101 -6.446 12.421 -0.318 1.00 0.00 N ATOM 1150 CA GLY A 101 -6.319 13.261 -1.499 1.00 0.00 C ATOM 1151 C GLY A 101 -5.296 12.745 -2.491 1.00 0.00 C ATOM 1152 O GLY A 101 -5.110 13.325 -3.555 1.00 0.00 O ATOM 0 H GLY A 101 -7.029 11.593 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.289 13.334 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.041 14.269 -1.192 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.634 11.654 -2.146 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.657 11.045 -3.035 1.00 0.00 C ATOM 1158 C ILE A 102 -4.145 9.676 -3.467 1.00 0.00 C ATOM 1159 O ILE A 102 -4.746 8.943 -2.676 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.267 10.920 -2.366 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.321 9.982 -1.159 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.759 12.292 -1.946 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -0.975 9.759 -0.504 1.00 0.00 C ATOM 0 H ILE A 102 -4.755 11.171 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.548 11.693 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.576 10.495 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.011 10.392 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.726 9.020 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.780 12.190 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.675 12.933 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.457 12.737 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.090 9.084 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.287 9.320 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.577 10.712 -0.157 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.921 9.344 -4.728 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.319 8.048 -5.231 1.00 0.00 C ATOM 1177 C ARG A 103 -3.430 6.999 -4.597 1.00 0.00 C ATOM 1178 O ARG A 103 -2.206 7.101 -4.642 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.226 7.990 -6.758 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.240 7.044 -7.390 1.00 0.00 C ATOM 1181 CD ARG A 103 -5.305 7.195 -8.907 1.00 0.00 C ATOM 1182 NE ARG A 103 -4.122 6.651 -9.575 1.00 0.00 N ATOM 1183 CZ ARG A 103 -4.060 6.351 -10.876 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -5.090 6.622 -11.673 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -2.957 5.804 -11.379 1.00 0.00 N ATOM 0 H ARG A 103 -3.470 9.950 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.361 7.861 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.373 8.992 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.221 7.676 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.979 6.016 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.226 7.235 -6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.195 6.689 -9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.408 8.250 -9.160 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.288 6.490 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.929 7.059 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.041 6.392 -12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.160 5.614 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.909 5.575 -12.372 1.00 0.00 H new ATOM 1199 N THR A 104 -4.045 6.023 -3.975 1.00 0.00 N ATOM 1200 CA THR A 104 -3.319 5.005 -3.242 1.00 0.00 C ATOM 1201 C THR A 104 -3.877 3.627 -3.548 1.00 0.00 C ATOM 1202 O THR A 104 -5.084 3.461 -3.725 1.00 0.00 O ATOM 1203 CB THR A 104 -3.375 5.266 -1.722 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.628 5.871 -1.374 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.228 6.163 -1.276 1.00 0.00 C ATOM 0 H THR A 104 -5.058 5.909 -3.960 1.00 0.00 H new ATOM 0 HA THR A 104 -2.278 5.047 -3.561 1.00 0.00 H new ATOM 0 HB THR A 104 -3.279 4.308 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.656 6.032 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.293 6.330 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.278 5.683 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.291 7.119 -1.796 1.00 0.00 H new ATOM 1213 N SER A 105 -2.996 2.646 -3.646 1.00 0.00 N ATOM 1214 CA SER A 105 -3.404 1.282 -3.926 1.00 0.00 C ATOM 1215 C SER A 105 -2.386 0.307 -3.359 1.00 0.00 C ATOM 1216 O SER A 105 -1.231 0.658 -3.153 1.00 0.00 O ATOM 1217 CB SER A 105 -3.550 1.063 -5.434 1.00 0.00 C ATOM 1218 OG SER A 105 -4.456 1.994 -6.000 1.00 0.00 O ATOM 0 H SER A 105 -1.990 2.771 -3.535 1.00 0.00 H new ATOM 0 HA SER A 105 -4.370 1.107 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.576 1.160 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.900 0.048 -5.625 1.00 0.00 H new ATOM 0 HG SER A 105 -4.530 1.834 -6.964 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.823 -0.918 -3.124 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.962 -1.957 -2.574 1.00 0.00 C ATOM 1226 C ASN A 106 -0.994 -2.474 -3.632 1.00 0.00 C ATOM 1227 O ASN A 106 -0.087 -3.242 -3.328 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.804 -3.110 -2.010 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.724 -3.753 -3.041 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -4.113 -3.134 -4.037 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.104 -4.996 -2.793 1.00 0.00 N ATOM 0 H ASN A 106 -3.779 -1.222 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.380 -1.522 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.138 -3.871 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.405 -2.738 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.738 -5.473 -3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.763 -5.477 -1.961 1.00 0.00 H new