USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 15 GLN : amide:sc= -1.79! K(o=-1.8!,f=-3) USER MOD Set 1.2: A 16 ASN : amide:sc= 0.0105 K(o=-1.8,f=-3!) USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0.00133 USER MOD Set 2.2: A 12 GLN : amide:sc= -3.55! C(o=-3.5!,f=-8.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc=-0.00993 K(o=-0.0099,f=-0.58) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 93:sc= 0.105 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00707 USER MOD Single : A 26 THR OG1 : rot -24:sc= 0.59 USER MOD Single : A 40 THR OG1 : rot 41:sc= 1.25 USER MOD Single : A 51 THR OG1 : rot -35:sc= 1.06 USER MOD Single : A 55 SER OG : rot 180:sc= -0.018 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00356 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0932 USER MOD Single : A 69 ASN : amide:sc= -0.0378 K(o=-0.038,f=-0.95) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 72 SER OG : rot 150:sc= -3.07! USER MOD Single : A 83 THR OG1 : rot -20:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.437 1.817 -5.907 1.00 5.63 N ATOM 2 CA GLY A 1 -19.969 1.612 -5.893 1.00 4.92 C ATOM 3 C GLY A 1 -19.319 2.266 -4.694 1.00 4.01 C ATOM 4 O GLY A 1 -19.615 3.417 -4.378 1.00 4.29 O ATOM 0 H1 GLY A 1 -21.844 1.354 -6.744 1.00 5.63 H new ATOM 0 H2 GLY A 1 -21.853 1.406 -5.047 1.00 5.63 H new ATOM 0 H3 GLY A 1 -21.645 2.835 -5.940 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -19.752 0.544 -5.886 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -19.537 2.019 -6.807 1.00 4.92 H new ATOM 10 N SER A 2 -18.449 1.534 -4.014 1.00 3.39 N ATOM 11 CA SER A 2 -17.770 2.049 -2.834 1.00 2.92 C ATOM 12 C SER A 2 -16.328 1.551 -2.772 1.00 2.13 C ATOM 13 O SER A 2 -16.079 0.347 -2.663 1.00 2.36 O ATOM 14 CB SER A 2 -18.518 1.622 -1.568 1.00 3.61 C ATOM 15 OG SER A 2 -19.859 2.086 -1.582 1.00 4.28 O ATOM 0 H SER A 2 -18.196 0.577 -4.261 1.00 3.39 H new ATOM 0 HA SER A 2 -17.758 3.137 -2.898 1.00 2.92 H new ATOM 0 HB2 SER A 2 -18.508 0.535 -1.486 1.00 3.61 H new ATOM 0 HB3 SER A 2 -18.004 2.013 -0.690 1.00 3.61 H new ATOM 0 HG SER A 2 -20.313 1.798 -0.763 1.00 4.28 H new ATOM 21 N TRP A 3 -15.388 2.483 -2.856 1.00 1.93 N ATOM 22 CA TRP A 3 -13.973 2.172 -2.709 1.00 1.69 C ATOM 23 C TRP A 3 -13.604 2.085 -1.235 1.00 1.84 C ATOM 24 O TRP A 3 -13.089 1.072 -0.764 1.00 2.71 O ATOM 25 CB TRP A 3 -13.111 3.242 -3.388 1.00 2.33 C ATOM 26 CG TRP A 3 -13.008 3.094 -4.874 1.00 2.76 C ATOM 27 CD1 TRP A 3 -14.010 3.222 -5.792 1.00 3.47 C ATOM 28 CD2 TRP A 3 -11.821 2.800 -5.615 1.00 3.17 C ATOM 29 NE1 TRP A 3 -13.518 3.018 -7.058 1.00 4.11 N ATOM 30 CE2 TRP A 3 -12.174 2.757 -6.975 1.00 3.90 C ATOM 31 CE3 TRP A 3 -10.493 2.564 -5.255 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -11.244 2.490 -7.976 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -9.571 2.303 -6.248 1.00 4.30 C ATOM 34 CH2 TRP A 3 -9.951 2.266 -7.594 1.00 4.74 C ATOM 0 H TRP A 3 -15.583 3.469 -3.027 1.00 1.93 H new ATOM 0 HA TRP A 3 -13.785 1.210 -3.187 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -13.524 4.224 -3.160 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -12.109 3.211 -2.961 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -15.039 3.450 -5.557 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -14.063 3.055 -7.919 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -10.193 2.585 -4.218 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -11.534 2.461 -9.016 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -8.540 2.124 -5.982 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -9.206 2.056 -8.348 1.00 4.74 H new ATOM 45 N GLY A 4 -13.887 3.155 -0.513 1.00 1.61 N ATOM 46 CA GLY A 4 -13.570 3.218 0.894 1.00 2.03 C ATOM 47 C GLY A 4 -13.554 4.644 1.384 1.00 1.82 C ATOM 48 O GLY A 4 -13.484 5.578 0.582 1.00 1.87 O ATOM 0 H GLY A 4 -14.337 3.992 -0.884 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -14.303 2.644 1.461 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -12.598 2.758 1.072 1.00 2.03 H new ATOM 52 N GLN A 5 -13.618 4.827 2.690 1.00 1.92 N ATOM 53 CA GLN A 5 -13.642 6.151 3.261 1.00 1.96 C ATOM 54 C GLN A 5 -12.221 6.637 3.528 1.00 1.53 C ATOM 55 O GLN A 5 -11.560 6.172 4.460 1.00 1.64 O ATOM 56 CB GLN A 5 -14.458 6.135 4.555 1.00 2.55 C ATOM 57 CG GLN A 5 -14.410 7.444 5.312 1.00 3.13 C ATOM 58 CD GLN A 5 -15.009 8.595 4.527 1.00 3.34 C ATOM 59 OE1 GLN A 5 -15.924 8.410 3.730 1.00 3.26 O ATOM 60 NE2 GLN A 5 -14.485 9.790 4.738 1.00 4.17 N ATOM 0 H GLN A 5 -13.654 4.070 3.373 1.00 1.92 H new ATOM 0 HA GLN A 5 -14.110 6.839 2.556 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.495 5.898 4.319 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.088 5.337 5.199 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -14.946 7.334 6.255 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -13.375 7.678 5.560 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -13.725 9.902 5.409 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -14.840 10.600 4.230 1.00 4.17 H new ATOM 69 N CYS A 6 -11.772 7.578 2.703 1.00 1.29 N ATOM 70 CA CYS A 6 -10.454 8.183 2.847 1.00 0.94 C ATOM 71 C CYS A 6 -10.194 9.164 1.712 1.00 0.96 C ATOM 72 O CYS A 6 -10.116 8.775 0.547 1.00 1.88 O ATOM 73 CB CYS A 6 -9.345 7.126 2.862 1.00 0.81 C ATOM 74 SG CYS A 6 -7.669 7.837 2.944 1.00 0.61 S ATOM 0 H CYS A 6 -12.311 7.942 1.917 1.00 1.29 H new ATOM 0 HA CYS A 6 -10.443 8.710 3.801 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.494 6.466 3.717 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -9.427 6.511 1.966 1.00 0.81 H new ATOM 79 N SER A 7 -10.056 10.434 2.055 1.00 0.91 N ATOM 80 CA SER A 7 -9.767 11.462 1.071 1.00 0.99 C ATOM 81 C SER A 7 -8.277 11.797 1.078 1.00 1.25 C ATOM 82 O SER A 7 -7.851 12.811 0.527 1.00 1.82 O ATOM 83 CB SER A 7 -10.601 12.710 1.358 1.00 1.55 C ATOM 84 OG SER A 7 -11.986 12.396 1.388 1.00 2.40 O ATOM 0 H SER A 7 -10.140 10.778 3.012 1.00 0.91 H new ATOM 0 HA SER A 7 -10.030 11.089 0.081 1.00 0.99 H new ATOM 0 HB2 SER A 7 -10.301 13.142 2.313 1.00 1.55 H new ATOM 0 HB3 SER A 7 -10.411 13.463 0.594 1.00 1.55 H new ATOM 0 HG SER A 7 -12.502 13.208 1.575 1.00 2.40 H new ATOM 90 N THR A 8 -7.490 10.930 1.704 1.00 1.48 N ATOM 91 CA THR A 8 -6.048 11.104 1.768 1.00 2.09 C ATOM 92 C THR A 8 -5.384 10.551 0.503 1.00 1.70 C ATOM 93 O THR A 8 -4.190 10.742 0.270 1.00 2.23 O ATOM 94 CB THR A 8 -5.479 10.400 3.018 1.00 2.93 C ATOM 95 OG1 THR A 8 -6.300 10.706 4.154 1.00 3.15 O ATOM 96 CG2 THR A 8 -4.049 10.840 3.300 1.00 3.75 C ATOM 0 H THR A 8 -7.832 10.094 2.177 1.00 1.48 H new ATOM 0 HA THR A 8 -5.832 12.170 1.836 1.00 2.09 H new ATOM 0 HB THR A 8 -5.477 9.326 2.831 1.00 2.93 H new ATOM 0 HG1 THR A 8 -6.986 10.014 4.258 1.00 3.15 H new ATOM 0 HG21 THR A 8 -3.678 10.326 4.187 1.00 3.75 H new ATOM 0 HG22 THR A 8 -3.417 10.593 2.447 1.00 3.75 H new ATOM 0 HG23 THR A 8 -4.026 11.917 3.469 1.00 3.75 H new ATOM 104 N GLY A 9 -6.174 9.876 -0.318 1.00 0.97 N ATOM 105 CA GLY A 9 -5.664 9.338 -1.560 1.00 0.72 C ATOM 106 C GLY A 9 -6.575 8.279 -2.136 1.00 0.71 C ATOM 107 O GLY A 9 -7.771 8.514 -2.324 1.00 1.12 O ATOM 0 H GLY A 9 -7.162 9.691 -0.145 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -5.545 10.145 -2.283 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.675 8.912 -1.391 1.00 0.72 H new ATOM 111 N SER A 10 -6.017 7.115 -2.408 1.00 0.38 N ATOM 112 CA SER A 10 -6.780 6.006 -2.948 1.00 0.39 C ATOM 113 C SER A 10 -6.848 4.895 -1.911 1.00 0.28 C ATOM 114 O SER A 10 -5.956 4.773 -1.077 1.00 0.29 O ATOM 115 CB SER A 10 -6.128 5.499 -4.243 1.00 0.52 C ATOM 116 OG SER A 10 -6.881 4.451 -4.839 1.00 0.96 O ATOM 0 H SER A 10 -5.028 6.912 -2.262 1.00 0.38 H new ATOM 0 HA SER A 10 -7.792 6.336 -3.183 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.032 6.324 -4.949 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.120 5.145 -4.028 1.00 0.52 H new ATOM 0 HG SER A 10 -6.437 4.155 -5.661 1.00 0.96 H new ATOM 122 N ILE A 11 -7.925 4.126 -1.919 1.00 0.32 N ATOM 123 CA ILE A 11 -8.049 3.006 -1.017 1.00 0.27 C ATOM 124 C ILE A 11 -7.703 1.695 -1.700 1.00 0.20 C ATOM 125 O ILE A 11 -8.092 1.436 -2.841 1.00 0.26 O ATOM 126 CB ILE A 11 -9.462 2.915 -0.424 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.797 4.191 0.322 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.587 1.727 0.516 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.236 5.333 -0.561 1.00 0.96 C ATOM 0 H ILE A 11 -8.722 4.261 -2.541 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.337 3.178 -0.209 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.163 2.779 -1.247 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -10.588 3.980 1.042 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -8.922 4.504 0.892 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.598 1.688 0.921 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.379 0.807 -0.031 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.873 1.833 1.333 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.456 6.205 0.055 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -9.439 5.576 -1.264 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -11.131 5.044 -1.112 1.00 0.96 H new ATOM 141 N GLN A 12 -6.978 0.875 -0.974 1.00 0.13 N ATOM 142 CA GLN A 12 -6.581 -0.446 -1.453 1.00 0.10 C ATOM 143 C GLN A 12 -6.457 -1.430 -0.299 1.00 0.11 C ATOM 144 O GLN A 12 -6.488 -1.049 0.871 1.00 0.17 O ATOM 145 CB GLN A 12 -5.271 -0.435 -2.272 1.00 0.12 C ATOM 146 CG GLN A 12 -4.228 0.598 -1.868 1.00 0.22 C ATOM 147 CD GLN A 12 -4.480 1.979 -2.451 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.153 2.984 -1.833 1.00 0.91 O ATOM 149 NE2 GLN A 12 -5.031 2.040 -3.661 1.00 0.35 N ATOM 0 H GLN A 12 -6.643 1.096 -0.036 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.376 -0.767 -2.126 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.817 -1.424 -2.203 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.525 -0.273 -3.320 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.204 0.671 -0.781 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.244 0.252 -2.187 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.291 1.182 -4.147 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.193 2.945 -4.102 1.00 0.35 H new ATOM 158 N CYS A 13 -6.351 -2.701 -0.647 1.00 0.12 N ATOM 159 CA CYS A 13 -6.221 -3.764 0.331 1.00 0.16 C ATOM 160 C CYS A 13 -4.869 -4.447 0.156 1.00 0.13 C ATOM 161 O CYS A 13 -4.646 -5.173 -0.814 1.00 0.15 O ATOM 162 CB CYS A 13 -7.375 -4.766 0.179 1.00 0.25 C ATOM 163 SG CYS A 13 -7.245 -6.237 1.249 1.00 0.34 S ATOM 0 H CYS A 13 -6.353 -3.023 -1.615 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.273 -3.348 1.337 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.313 -4.256 0.397 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.422 -5.091 -0.860 1.00 0.25 H new ATOM 168 N CYS A 14 -3.965 -4.181 1.087 1.00 0.12 N ATOM 169 CA CYS A 14 -2.591 -4.647 0.983 1.00 0.12 C ATOM 170 C CYS A 14 -2.405 -5.988 1.659 1.00 0.15 C ATOM 171 O CYS A 14 -2.840 -6.197 2.791 1.00 0.19 O ATOM 172 CB CYS A 14 -1.628 -3.644 1.610 1.00 0.14 C ATOM 173 SG CYS A 14 -1.426 -2.082 0.692 1.00 0.13 S ATOM 0 H CYS A 14 -4.161 -3.640 1.929 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.373 -4.752 -0.080 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.975 -3.412 2.617 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.651 -4.117 1.710 1.00 0.14 H new ATOM 178 N GLN A 15 -1.757 -6.888 0.941 1.00 0.15 N ATOM 179 CA GLN A 15 -1.376 -8.177 1.475 1.00 0.16 C ATOM 180 C GLN A 15 -0.208 -8.001 2.453 1.00 0.18 C ATOM 181 O GLN A 15 -0.134 -8.674 3.481 1.00 0.23 O ATOM 182 CB GLN A 15 -1.052 -9.128 0.300 1.00 0.17 C ATOM 183 CG GLN A 15 0.329 -9.770 0.320 1.00 0.23 C ATOM 184 CD GLN A 15 0.489 -10.828 1.404 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.576 -11.022 1.947 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.590 -11.531 1.710 1.00 0.33 N ATOM 0 H GLN A 15 -1.481 -6.742 -0.030 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.191 -8.627 2.041 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.799 -9.921 0.285 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.158 -8.572 -0.631 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.525 -10.224 -0.652 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.080 -8.994 0.467 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.474 -11.340 1.238 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.538 -12.263 2.418 1.00 0.33 H new ATOM 195 N ASN A 16 0.680 -7.067 2.138 1.00 0.17 N ATOM 196 CA ASN A 16 1.817 -6.756 2.990 1.00 0.21 C ATOM 197 C ASN A 16 1.909 -5.263 3.267 1.00 0.21 C ATOM 198 O ASN A 16 2.385 -4.500 2.430 1.00 0.40 O ATOM 199 CB ASN A 16 3.118 -7.197 2.326 1.00 0.29 C ATOM 200 CG ASN A 16 3.555 -8.592 2.709 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.270 -9.072 3.808 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.262 -9.248 1.806 1.00 0.75 N ATOM 0 H ASN A 16 0.632 -6.506 1.287 1.00 0.17 H new ATOM 0 HA ASN A 16 1.670 -7.291 3.928 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.998 -7.148 1.244 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.907 -6.493 2.591 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.595 -10.191 2.006 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.474 -8.811 0.909 1.00 0.75 H new ATOM 209 N VAL A 17 1.455 -4.843 4.434 1.00 0.16 N ATOM 210 CA VAL A 17 1.627 -3.459 4.851 1.00 0.13 C ATOM 211 C VAL A 17 2.908 -3.328 5.659 1.00 0.14 C ATOM 212 O VAL A 17 2.946 -3.655 6.846 1.00 0.18 O ATOM 213 CB VAL A 17 0.438 -2.936 5.683 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.673 -1.487 6.085 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.855 -3.064 4.899 1.00 0.14 C ATOM 0 H VAL A 17 0.967 -5.434 5.107 1.00 0.16 H new ATOM 0 HA VAL A 17 1.680 -2.853 3.947 1.00 0.13 H new ATOM 0 HB VAL A 17 0.354 -3.539 6.587 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.174 -1.130 6.672 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.583 -1.418 6.681 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.778 -0.874 5.190 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.684 -2.691 5.501 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.782 -2.482 3.980 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -1.029 -4.111 4.652 1.00 0.14 H new ATOM 225 N VAL A 18 3.953 -2.857 5.005 1.00 0.12 N ATOM 226 CA VAL A 18 5.271 -2.794 5.614 1.00 0.13 C ATOM 227 C VAL A 18 5.874 -1.400 5.462 1.00 0.12 C ATOM 228 O VAL A 18 5.700 -0.747 4.435 1.00 0.12 O ATOM 229 CB VAL A 18 6.226 -3.839 4.987 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.789 -5.255 5.339 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.299 -3.672 3.475 1.00 0.13 C ATOM 0 H VAL A 18 3.915 -2.510 4.046 1.00 0.12 H new ATOM 0 HA VAL A 18 5.151 -3.018 6.674 1.00 0.13 H new ATOM 0 HB VAL A 18 7.220 -3.671 5.401 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.476 -5.971 4.887 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.796 -5.379 6.422 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.782 -5.430 4.960 1.00 0.18 H new ATOM 0 HG21 VAL A 18 6.976 -4.418 3.059 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.306 -3.804 3.046 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.667 -2.674 3.237 1.00 0.13 H new ATOM 241 N PRO A 19 6.555 -0.907 6.506 1.00 0.14 N ATOM 242 CA PRO A 19 7.298 0.352 6.433 1.00 0.15 C ATOM 243 C PRO A 19 8.358 0.318 5.340 1.00 0.12 C ATOM 244 O PRO A 19 9.014 -0.699 5.125 1.00 0.10 O ATOM 245 CB PRO A 19 7.952 0.472 7.812 1.00 0.17 C ATOM 246 CG PRO A 19 7.135 -0.396 8.705 1.00 0.19 C ATOM 247 CD PRO A 19 6.626 -1.517 7.845 1.00 0.17 C ATOM 0 HA PRO A 19 6.652 1.195 6.189 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.991 0.144 7.786 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.953 1.505 8.159 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.735 -0.780 9.531 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.309 0.164 9.144 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.298 -2.375 7.862 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.650 -1.870 8.179 1.00 0.17 H new ATOM 255 N GLY A 20 8.517 1.432 4.640 1.00 0.14 N ATOM 256 CA GLY A 20 9.485 1.503 3.563 1.00 0.13 C ATOM 257 C GLY A 20 10.916 1.404 4.058 1.00 0.14 C ATOM 258 O GLY A 20 11.823 1.092 3.291 1.00 0.18 O ATOM 0 H GLY A 20 7.991 2.291 4.799 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.293 0.698 2.853 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.355 2.441 3.024 1.00 0.13 H new ATOM 262 N ASP A 21 11.115 1.670 5.344 1.00 0.17 N ATOM 263 CA ASP A 21 12.432 1.546 5.963 1.00 0.21 C ATOM 264 C ASP A 21 12.501 0.264 6.790 1.00 0.19 C ATOM 265 O ASP A 21 13.472 0.015 7.510 1.00 0.23 O ATOM 266 CB ASP A 21 12.730 2.763 6.845 1.00 0.31 C ATOM 267 CG ASP A 21 11.999 2.727 8.176 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.653 2.951 9.220 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.776 2.471 8.191 1.00 2.27 O ATOM 0 H ASP A 21 10.379 1.974 5.981 1.00 0.17 H new ATOM 0 HA ASP A 21 13.184 1.501 5.175 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.803 2.818 7.028 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.451 3.670 6.309 1.00 0.31 H new ATOM 274 N SER A 22 11.458 -0.544 6.671 1.00 0.16 N ATOM 275 CA SER A 22 11.395 -1.837 7.333 1.00 0.17 C ATOM 276 C SER A 22 12.322 -2.820 6.642 1.00 0.16 C ATOM 277 O SER A 22 12.625 -2.655 5.464 1.00 0.14 O ATOM 278 CB SER A 22 9.957 -2.366 7.297 1.00 0.18 C ATOM 279 OG SER A 22 9.881 -3.730 7.667 1.00 0.24 O ATOM 0 H SER A 22 10.633 -0.322 6.114 1.00 0.16 H new ATOM 0 HA SER A 22 11.710 -1.722 8.370 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.337 -1.774 7.969 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.550 -2.240 6.294 1.00 0.18 H new ATOM 0 HG SER A 22 8.948 -4.027 7.633 1.00 0.24 H new ATOM 285 N ASP A 23 12.763 -3.842 7.358 1.00 0.20 N ATOM 286 CA ASP A 23 13.603 -4.873 6.754 1.00 0.22 C ATOM 287 C ASP A 23 12.895 -5.470 5.553 1.00 0.20 C ATOM 288 O ASP A 23 13.505 -5.723 4.513 1.00 0.22 O ATOM 289 CB ASP A 23 13.919 -5.987 7.754 1.00 0.29 C ATOM 290 CG ASP A 23 14.960 -5.594 8.777 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.578 -5.137 9.875 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.165 -5.756 8.493 1.00 0.61 O ATOM 0 H ASP A 23 12.558 -3.983 8.347 1.00 0.20 H new ATOM 0 HA ASP A 23 14.539 -4.407 6.446 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.003 -6.273 8.270 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.267 -6.866 7.211 1.00 0.29 H new ATOM 297 N LEU A 24 11.597 -5.684 5.709 1.00 0.20 N ATOM 298 CA LEU A 24 10.771 -6.176 4.627 1.00 0.21 C ATOM 299 C LEU A 24 10.598 -5.110 3.555 1.00 0.17 C ATOM 300 O LEU A 24 11.013 -5.299 2.417 1.00 0.18 O ATOM 301 CB LEU A 24 9.405 -6.606 5.160 1.00 0.26 C ATOM 302 CG LEU A 24 9.158 -8.112 5.183 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.117 -8.665 3.769 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.221 -8.823 6.005 1.00 1.11 C ATOM 0 H LEU A 24 11.095 -5.522 6.582 1.00 0.20 H new ATOM 0 HA LEU A 24 11.267 -7.038 4.182 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.291 -6.220 6.173 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.632 -6.137 4.551 1.00 0.26 H new ATOM 0 HG LEU A 24 8.191 -8.292 5.653 1.00 0.35 H new ATOM 0 HD11 LEU A 24 8.940 -9.740 3.804 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.313 -8.183 3.213 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.068 -8.470 3.274 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.023 -9.895 6.006 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.203 -8.636 5.570 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.200 -8.449 7.029 1.00 1.11 H new ATOM 316 N GLY A 25 10.017 -3.980 3.944 1.00 0.14 N ATOM 317 CA GLY A 25 9.691 -2.929 2.993 1.00 0.12 C ATOM 318 C GLY A 25 10.887 -2.451 2.192 1.00 0.12 C ATOM 319 O GLY A 25 10.788 -2.247 0.982 1.00 0.16 O ATOM 0 H GLY A 25 9.764 -3.771 4.910 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.926 -3.294 2.308 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.261 -2.084 3.530 1.00 0.12 H new ATOM 323 N THR A 26 12.019 -2.301 2.858 1.00 0.13 N ATOM 324 CA THR A 26 13.227 -1.815 2.215 1.00 0.16 C ATOM 325 C THR A 26 13.747 -2.839 1.212 1.00 0.20 C ATOM 326 O THR A 26 14.178 -2.487 0.116 1.00 0.24 O ATOM 327 CB THR A 26 14.309 -1.485 3.263 1.00 0.18 C ATOM 328 OG1 THR A 26 13.843 -0.442 4.123 1.00 0.20 O ATOM 329 CG2 THR A 26 15.605 -1.043 2.611 1.00 0.23 C ATOM 0 H THR A 26 12.126 -2.510 3.850 1.00 0.13 H new ATOM 0 HA THR A 26 12.983 -0.899 1.678 1.00 0.16 H new ATOM 0 HB THR A 26 14.504 -2.393 3.834 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.160 0.085 3.658 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.342 -0.819 3.382 1.00 0.23 H new ATOM 0 HG22 THR A 26 15.980 -1.841 1.970 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.425 -0.151 2.012 1.00 0.23 H new ATOM 337 N LEU A 27 13.662 -4.109 1.583 1.00 0.21 N ATOM 338 CA LEU A 27 14.060 -5.194 0.700 1.00 0.28 C ATOM 339 C LEU A 27 13.137 -5.218 -0.515 1.00 0.29 C ATOM 340 O LEU A 27 13.579 -5.422 -1.647 1.00 0.34 O ATOM 341 CB LEU A 27 13.992 -6.527 1.473 1.00 0.33 C ATOM 342 CG LEU A 27 14.704 -7.743 0.851 1.00 0.57 C ATOM 343 CD1 LEU A 27 13.954 -8.275 -0.361 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.136 -7.393 0.482 1.00 1.00 C ATOM 0 H LEU A 27 13.319 -4.413 2.494 1.00 0.21 H new ATOM 0 HA LEU A 27 15.083 -5.045 0.354 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.411 -6.363 2.466 1.00 0.33 H new ATOM 0 HB3 LEU A 27 12.942 -6.785 1.609 1.00 0.33 H new ATOM 0 HG LEU A 27 14.719 -8.534 1.601 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.488 -9.132 -0.772 1.00 1.01 H new ATOM 0 HD12 LEU A 27 12.951 -8.581 -0.063 1.00 1.01 H new ATOM 0 HD13 LEU A 27 13.885 -7.494 -1.118 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.622 -8.265 0.044 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.136 -6.576 -0.240 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.678 -7.086 1.377 1.00 1.00 H new ATOM 356 N LEU A 28 11.856 -4.969 -0.270 1.00 0.27 N ATOM 357 CA LEU A 28 10.848 -5.031 -1.317 1.00 0.31 C ATOM 358 C LEU A 28 11.041 -3.908 -2.327 1.00 0.32 C ATOM 359 O LEU A 28 11.082 -4.148 -3.532 1.00 0.37 O ATOM 360 CB LEU A 28 9.436 -4.954 -0.725 1.00 0.31 C ATOM 361 CG LEU A 28 9.114 -5.976 0.371 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.620 -6.023 0.631 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.643 -7.354 0.010 1.00 0.37 C ATOM 0 H LEU A 28 11.491 -4.721 0.650 1.00 0.27 H new ATOM 0 HA LEU A 28 10.965 -5.987 -1.827 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.288 -3.954 -0.317 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.716 -5.079 -1.534 1.00 0.31 H new ATOM 0 HG LEU A 28 9.614 -5.658 1.286 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.409 -6.754 1.412 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.275 -5.040 0.952 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.100 -6.309 -0.283 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.399 -8.057 0.806 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.185 -7.687 -0.921 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.725 -7.307 -0.114 1.00 0.37 H new ATOM 375 N LEU A 29 11.175 -2.680 -1.841 1.00 0.30 N ATOM 376 CA LEU A 29 11.294 -1.541 -2.735 1.00 0.32 C ATOM 377 C LEU A 29 12.658 -1.499 -3.406 1.00 0.36 C ATOM 378 O LEU A 29 12.805 -0.919 -4.480 1.00 0.41 O ATOM 379 CB LEU A 29 10.983 -0.219 -2.008 1.00 0.30 C ATOM 380 CG LEU A 29 11.852 0.162 -0.799 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.247 0.610 -1.217 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.172 1.271 -0.021 1.00 0.31 C ATOM 0 H LEU A 29 11.203 -2.452 -0.847 1.00 0.30 H new ATOM 0 HA LEU A 29 10.548 -1.665 -3.520 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.054 0.588 -2.738 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.946 -0.257 -1.675 1.00 0.30 H new ATOM 0 HG LEU A 29 11.964 -0.724 -0.175 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.826 0.870 -0.331 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.744 -0.199 -1.751 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.170 1.481 -1.868 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.786 1.543 0.837 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.043 2.141 -0.665 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.197 0.928 0.325 1.00 0.31 H new ATOM 394 N ASP A 30 13.649 -2.120 -2.782 1.00 0.34 N ATOM 395 CA ASP A 30 14.972 -2.221 -3.383 1.00 0.39 C ATOM 396 C ASP A 30 14.905 -3.146 -4.584 1.00 0.43 C ATOM 397 O ASP A 30 15.609 -2.966 -5.575 1.00 0.49 O ATOM 398 CB ASP A 30 15.992 -2.752 -2.378 1.00 0.41 C ATOM 399 CG ASP A 30 17.417 -2.539 -2.845 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.162 -3.528 -2.979 1.00 0.66 O ATOM 401 OD2 ASP A 30 17.802 -1.377 -3.087 1.00 0.63 O ATOM 0 H ASP A 30 13.564 -2.559 -1.865 1.00 0.34 H new ATOM 0 HA ASP A 30 15.291 -1.227 -3.696 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.847 -2.255 -1.419 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.820 -3.816 -2.215 1.00 0.41 H new ATOM 406 N GLU A 31 14.013 -4.122 -4.490 1.00 0.43 N ATOM 407 CA GLU A 31 13.771 -5.073 -5.547 1.00 0.49 C ATOM 408 C GLU A 31 12.972 -4.415 -6.664 1.00 0.51 C ATOM 409 O GLU A 31 12.877 -4.933 -7.777 1.00 0.62 O ATOM 410 CB GLU A 31 12.980 -6.239 -4.968 1.00 0.52 C ATOM 411 CG GLU A 31 13.029 -7.475 -5.819 1.00 0.97 C ATOM 412 CD GLU A 31 12.225 -8.613 -5.235 1.00 1.46 C ATOM 413 OE1 GLU A 31 10.979 -8.562 -5.302 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.832 -9.563 -4.705 1.00 2.07 O ATOM 0 H GLU A 31 13.434 -4.271 -3.664 1.00 0.43 H new ATOM 0 HA GLU A 31 14.718 -5.425 -5.957 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.367 -6.474 -3.977 1.00 0.52 H new ATOM 0 HB3 GLU A 31 11.941 -5.936 -4.841 1.00 0.52 H new ATOM 0 HG2 GLU A 31 12.652 -7.242 -6.815 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.066 -7.790 -5.937 1.00 0.97 H new ATOM 421 N LEU A 32 12.397 -3.270 -6.338 1.00 0.52 N ATOM 422 CA LEU A 32 11.507 -2.560 -7.238 1.00 0.58 C ATOM 423 C LEU A 32 12.129 -1.251 -7.722 1.00 0.61 C ATOM 424 O LEU A 32 11.513 -0.504 -8.486 1.00 0.71 O ATOM 425 CB LEU A 32 10.192 -2.290 -6.512 1.00 0.56 C ATOM 426 CG LEU A 32 9.354 -3.530 -6.201 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.153 -3.159 -5.351 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.907 -4.213 -7.484 1.00 0.64 C ATOM 0 H LEU A 32 12.535 -2.806 -5.440 1.00 0.52 H new ATOM 0 HA LEU A 32 11.327 -3.176 -8.119 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.411 -1.775 -5.577 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.594 -1.609 -7.118 1.00 0.56 H new ATOM 0 HG LEU A 32 9.973 -4.229 -5.639 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.567 -4.053 -5.139 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.493 -2.717 -4.414 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.535 -2.440 -5.888 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.312 -5.093 -7.240 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.306 -3.521 -8.074 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.782 -4.515 -8.059 1.00 0.64 H new ATOM 440 N GLY A 33 13.348 -0.980 -7.257 1.00 0.57 N ATOM 441 CA GLY A 33 14.073 0.214 -7.666 1.00 0.62 C ATOM 442 C GLY A 33 13.347 1.499 -7.313 1.00 0.63 C ATOM 443 O GLY A 33 13.421 2.481 -8.051 1.00 0.75 O ATOM 0 H GLY A 33 13.851 -1.573 -6.597 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.055 0.216 -7.193 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.238 0.181 -8.743 1.00 0.62 H new ATOM 447 N ILE A 34 12.651 1.500 -6.186 1.00 0.54 N ATOM 448 CA ILE A 34 11.865 2.659 -5.787 1.00 0.58 C ATOM 449 C ILE A 34 12.734 3.681 -5.070 1.00 0.65 C ATOM 450 O ILE A 34 13.411 3.359 -4.094 1.00 0.68 O ATOM 451 CB ILE A 34 10.694 2.271 -4.861 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.850 1.162 -5.499 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.834 3.492 -4.559 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.742 0.658 -4.605 1.00 0.56 C ATOM 0 H ILE A 34 12.614 0.716 -5.534 1.00 0.54 H new ATOM 0 HA ILE A 34 11.461 3.090 -6.703 1.00 0.58 H new ATOM 0 HB ILE A 34 11.102 1.894 -3.923 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.416 1.535 -6.427 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.500 0.328 -5.764 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.011 3.205 -3.905 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.441 4.252 -4.067 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.434 3.894 -5.490 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.186 -0.125 -5.121 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.170 0.255 -3.687 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.069 1.480 -4.361 1.00 0.56 H new ATOM 466 N VAL A 35 12.710 4.909 -5.557 1.00 0.77 N ATOM 467 CA VAL A 35 13.423 5.991 -4.909 1.00 0.89 C ATOM 468 C VAL A 35 12.524 6.628 -3.861 1.00 0.74 C ATOM 469 O VAL A 35 11.430 7.091 -4.175 1.00 0.90 O ATOM 470 CB VAL A 35 13.883 7.064 -5.919 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.679 8.157 -5.221 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.705 6.433 -7.032 1.00 1.87 C ATOM 0 H VAL A 35 12.204 5.180 -6.400 1.00 0.77 H new ATOM 0 HA VAL A 35 14.315 5.574 -4.441 1.00 0.89 H new ATOM 0 HB VAL A 35 12.996 7.518 -6.361 1.00 1.24 H new ATOM 0 HG11 VAL A 35 14.993 8.902 -5.952 1.00 1.84 H new ATOM 0 HG12 VAL A 35 14.057 8.632 -4.463 1.00 1.84 H new ATOM 0 HG13 VAL A 35 15.558 7.721 -4.747 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.020 7.205 -7.734 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.584 5.949 -6.606 1.00 1.87 H new ATOM 0 HG23 VAL A 35 14.101 5.692 -7.555 1.00 1.87 H new ATOM 482 N LEU A 36 12.974 6.624 -2.618 1.00 0.70 N ATOM 483 CA LEU A 36 12.173 7.141 -1.522 1.00 0.66 C ATOM 484 C LEU A 36 12.514 8.595 -1.211 1.00 0.68 C ATOM 485 O LEU A 36 13.681 8.971 -1.100 1.00 0.84 O ATOM 486 CB LEU A 36 12.348 6.263 -0.272 1.00 0.86 C ATOM 487 CG LEU A 36 13.785 5.839 0.047 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.467 6.865 0.935 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.803 4.463 0.689 1.00 2.76 C ATOM 0 H LEU A 36 13.890 6.269 -2.343 1.00 0.70 H new ATOM 0 HA LEU A 36 11.128 7.110 -1.830 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.949 6.802 0.587 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.742 5.365 -0.394 1.00 0.86 H new ATOM 0 HG LEU A 36 14.343 5.785 -0.888 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.486 6.542 1.148 1.00 2.62 H new ATOM 0 HD12 LEU A 36 14.491 7.829 0.426 1.00 2.62 H new ATOM 0 HD13 LEU A 36 13.914 6.962 1.870 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.832 4.178 0.909 1.00 2.76 H new ATOM 0 HD22 LEU A 36 13.227 4.486 1.614 1.00 2.76 H new ATOM 0 HD23 LEU A 36 13.363 3.737 0.005 1.00 2.76 H new ATOM 501 N GLU A 37 11.481 9.415 -1.117 1.00 0.72 N ATOM 502 CA GLU A 37 11.619 10.778 -0.624 1.00 0.84 C ATOM 503 C GLU A 37 11.400 10.773 0.878 1.00 0.76 C ATOM 504 O GLU A 37 11.954 11.589 1.614 1.00 0.88 O ATOM 505 CB GLU A 37 10.609 11.720 -1.288 1.00 1.02 C ATOM 506 CG GLU A 37 10.905 12.046 -2.747 1.00 1.42 C ATOM 507 CD GLU A 37 10.834 10.838 -3.654 1.00 2.06 C ATOM 508 OE1 GLU A 37 9.725 10.293 -3.837 1.00 2.65 O ATOM 509 OE2 GLU A 37 11.885 10.433 -4.193 1.00 2.58 O ATOM 0 H GLU A 37 10.529 9.159 -1.378 1.00 0.72 H new ATOM 0 HA GLU A 37 12.618 11.139 -0.866 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.618 11.271 -1.224 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.574 12.651 -0.722 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.196 12.796 -3.096 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.898 12.489 -2.819 1.00 1.42 H new ATOM 516 N ASP A 38 10.591 9.822 1.314 1.00 0.61 N ATOM 517 CA ASP A 38 10.263 9.643 2.707 1.00 0.54 C ATOM 518 C ASP A 38 10.181 8.148 2.975 1.00 0.41 C ATOM 519 O ASP A 38 9.161 7.517 2.702 1.00 0.39 O ATOM 520 CB ASP A 38 8.928 10.323 3.027 1.00 0.60 C ATOM 521 CG ASP A 38 8.593 10.296 4.505 1.00 1.20 C ATOM 522 OD1 ASP A 38 8.779 11.332 5.177 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.139 9.248 5.002 1.00 2.29 O ATOM 0 H ASP A 38 10.140 9.146 0.697 1.00 0.61 H new ATOM 0 HA ASP A 38 11.025 10.096 3.341 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.962 11.358 2.686 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.132 9.830 2.470 1.00 0.60 H new ATOM 528 N PRO A 39 11.268 7.549 3.473 1.00 0.41 N ATOM 529 CA PRO A 39 11.338 6.101 3.699 1.00 0.40 C ATOM 530 C PRO A 39 10.441 5.664 4.847 1.00 0.32 C ATOM 531 O PRO A 39 10.270 4.474 5.103 1.00 0.35 O ATOM 532 CB PRO A 39 12.806 5.864 4.056 1.00 0.57 C ATOM 533 CG PRO A 39 13.280 7.166 4.602 1.00 0.64 C ATOM 534 CD PRO A 39 12.512 8.231 3.871 1.00 0.57 C ATOM 0 HA PRO A 39 11.002 5.534 2.831 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.910 5.066 4.791 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.383 5.569 3.180 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.103 7.226 5.676 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.353 7.285 4.449 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.311 9.091 4.510 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.062 8.599 3.005 1.00 0.57 H new ATOM 542 N THR A 40 9.855 6.639 5.519 1.00 0.30 N ATOM 543 CA THR A 40 9.047 6.371 6.694 1.00 0.31 C ATOM 544 C THR A 40 7.569 6.274 6.339 1.00 0.28 C ATOM 545 O THR A 40 6.695 6.409 7.198 1.00 0.48 O ATOM 546 CB THR A 40 9.280 7.439 7.781 1.00 0.42 C ATOM 547 OG1 THR A 40 9.350 8.746 7.194 1.00 0.51 O ATOM 548 CG2 THR A 40 10.572 7.160 8.528 1.00 0.49 C ATOM 0 H THR A 40 9.924 7.626 5.270 1.00 0.30 H new ATOM 0 HA THR A 40 9.358 5.406 7.094 1.00 0.31 H new ATOM 0 HB THR A 40 8.442 7.400 8.477 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.666 8.828 6.497 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.722 7.923 9.292 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.515 6.179 9.000 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.408 7.177 7.828 1.00 0.49 H new ATOM 556 N VAL A 41 7.296 6.048 5.061 1.00 0.20 N ATOM 557 CA VAL A 41 5.941 5.786 4.614 1.00 0.17 C ATOM 558 C VAL A 41 5.679 4.288 4.610 1.00 0.14 C ATOM 559 O VAL A 41 6.611 3.481 4.544 1.00 0.15 O ATOM 560 CB VAL A 41 5.665 6.351 3.203 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.871 7.853 3.171 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.527 5.669 2.153 1.00 0.23 C ATOM 0 H VAL A 41 7.996 6.041 4.319 1.00 0.20 H new ATOM 0 HA VAL A 41 5.272 6.289 5.312 1.00 0.17 H new ATOM 0 HB VAL A 41 4.622 6.143 2.965 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.671 8.226 2.167 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.191 8.329 3.878 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.900 8.085 3.446 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.307 6.091 1.172 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.580 5.826 2.388 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.313 4.600 2.145 1.00 0.23 H new ATOM 572 N LEU A 42 4.417 3.921 4.698 1.00 0.14 N ATOM 573 CA LEU A 42 4.030 2.526 4.637 1.00 0.14 C ATOM 574 C LEU A 42 3.790 2.122 3.198 1.00 0.12 C ATOM 575 O LEU A 42 2.967 2.723 2.505 1.00 0.15 O ATOM 576 CB LEU A 42 2.771 2.276 5.470 1.00 0.16 C ATOM 577 CG LEU A 42 2.941 2.434 6.982 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.609 2.258 7.691 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.956 1.435 7.512 1.00 0.22 C ATOM 0 H LEU A 42 3.640 4.571 4.812 1.00 0.14 H new ATOM 0 HA LEU A 42 4.839 1.923 5.049 1.00 0.14 H new ATOM 0 HB2 LEU A 42 1.993 2.962 5.136 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.415 1.266 5.265 1.00 0.16 H new ATOM 0 HG LEU A 42 3.309 3.441 7.181 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.751 2.374 8.766 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.905 3.010 7.335 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.214 1.264 7.482 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.064 1.562 8.589 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.615 0.422 7.299 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.918 1.603 7.029 1.00 0.22 H new ATOM 591 N ILE A 43 4.524 1.126 2.742 1.00 0.11 N ATOM 592 CA ILE A 43 4.329 0.611 1.406 1.00 0.10 C ATOM 593 C ILE A 43 3.556 -0.694 1.459 1.00 0.11 C ATOM 594 O ILE A 43 3.840 -1.573 2.276 1.00 0.15 O ATOM 595 CB ILE A 43 5.653 0.422 0.628 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.713 -0.270 1.485 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.166 1.765 0.131 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.948 -0.662 0.703 1.00 0.14 C ATOM 0 H ILE A 43 5.257 0.660 3.276 1.00 0.11 H new ATOM 0 HA ILE A 43 3.754 1.359 0.860 1.00 0.10 H new ATOM 0 HB ILE A 43 5.450 -0.220 -0.229 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.002 0.394 2.300 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.279 -1.161 1.938 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.098 1.619 -0.415 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.425 2.216 -0.530 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.343 2.424 0.981 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.661 -1.148 1.369 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.670 -1.350 -0.096 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.404 0.229 0.272 1.00 0.14 H new ATOM 610 N GLY A 44 2.562 -0.800 0.603 1.00 0.13 N ATOM 611 CA GLY A 44 1.685 -1.940 0.627 1.00 0.16 C ATOM 612 C GLY A 44 1.938 -2.896 -0.509 1.00 0.17 C ATOM 613 O GLY A 44 1.424 -2.721 -1.608 1.00 0.31 O ATOM 0 H GLY A 44 2.345 -0.109 -0.115 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.808 -2.467 1.573 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.651 -1.598 0.584 1.00 0.16 H new ATOM 617 N ASP A 45 2.730 -3.907 -0.241 1.00 0.18 N ATOM 618 CA ASP A 45 2.996 -4.946 -1.221 1.00 0.20 C ATOM 619 C ASP A 45 1.801 -5.881 -1.296 1.00 0.20 C ATOM 620 O ASP A 45 1.166 -6.157 -0.281 1.00 0.29 O ATOM 621 CB ASP A 45 4.269 -5.715 -0.853 1.00 0.32 C ATOM 622 CG ASP A 45 4.487 -6.938 -1.720 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.723 -6.778 -2.935 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.436 -8.066 -1.187 1.00 0.57 O ATOM 0 H ASP A 45 3.206 -4.037 0.652 1.00 0.18 H new ATOM 0 HA ASP A 45 3.153 -4.491 -2.199 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.129 -5.051 -0.946 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.214 -6.021 0.192 1.00 0.32 H new ATOM 629 N GLY A 46 1.468 -6.340 -2.489 1.00 0.18 N ATOM 630 CA GLY A 46 0.312 -7.198 -2.630 1.00 0.21 C ATOM 631 C GLY A 46 -0.983 -6.438 -2.420 1.00 0.18 C ATOM 632 O GLY A 46 -1.919 -6.949 -1.810 1.00 0.18 O ATOM 0 H GLY A 46 1.970 -6.138 -3.354 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.312 -7.648 -3.623 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.375 -8.014 -1.910 1.00 0.21 H new ATOM 636 N CYS A 47 -1.035 -5.213 -2.915 1.00 0.17 N ATOM 637 CA CYS A 47 -2.163 -4.340 -2.645 1.00 0.15 C ATOM 638 C CYS A 47 -3.039 -4.175 -3.871 1.00 0.19 C ATOM 639 O CYS A 47 -2.603 -3.658 -4.902 1.00 0.25 O ATOM 640 CB CYS A 47 -1.677 -2.972 -2.184 1.00 0.15 C ATOM 641 SG CYS A 47 -2.695 -2.228 -0.879 1.00 0.12 S ATOM 0 H CYS A 47 -0.311 -4.802 -3.504 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.754 -4.803 -1.855 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.653 -3.064 -1.823 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.654 -2.298 -3.041 1.00 0.15 H new ATOM 646 N ASP A 48 -4.267 -4.637 -3.760 1.00 0.19 N ATOM 647 CA ASP A 48 -5.245 -4.461 -4.817 1.00 0.24 C ATOM 648 C ASP A 48 -6.193 -3.331 -4.444 1.00 0.21 C ATOM 649 O ASP A 48 -6.653 -3.259 -3.303 1.00 0.19 O ATOM 650 CB ASP A 48 -6.032 -5.750 -5.057 1.00 0.30 C ATOM 651 CG ASP A 48 -5.134 -6.931 -5.361 1.00 1.50 C ATOM 652 OD1 ASP A 48 -4.650 -7.034 -6.510 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.900 -7.757 -4.454 1.00 2.02 O ATOM 0 H ASP A 48 -4.615 -5.140 -2.944 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.721 -4.211 -5.740 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.634 -5.973 -4.176 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.723 -5.601 -5.886 1.00 0.30 H new ATOM 658 N PRO A 49 -6.482 -2.423 -5.386 1.00 0.26 N ATOM 659 CA PRO A 49 -7.402 -1.309 -5.152 1.00 0.28 C ATOM 660 C PRO A 49 -8.808 -1.806 -4.848 1.00 0.31 C ATOM 661 O PRO A 49 -9.367 -2.595 -5.609 1.00 0.37 O ATOM 662 CB PRO A 49 -7.389 -0.523 -6.467 1.00 0.35 C ATOM 663 CG PRO A 49 -6.225 -1.034 -7.245 1.00 0.44 C ATOM 664 CD PRO A 49 -5.949 -2.424 -6.753 1.00 0.34 C ATOM 0 HA PRO A 49 -7.102 -0.707 -4.294 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.319 -0.669 -7.017 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.293 0.547 -6.280 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.446 -1.039 -8.312 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.354 -0.394 -7.103 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.441 -3.173 -7.374 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.883 -2.649 -6.767 1.00 0.34 H new ATOM 672 N ILE A 50 -9.375 -1.350 -3.739 1.00 0.30 N ATOM 673 CA ILE A 50 -10.679 -1.831 -3.307 1.00 0.36 C ATOM 674 C ILE A 50 -11.787 -1.123 -4.067 1.00 0.43 C ATOM 675 O ILE A 50 -12.102 0.031 -3.794 1.00 0.46 O ATOM 676 CB ILE A 50 -10.905 -1.634 -1.795 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.753 -2.229 -0.992 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.210 -2.288 -1.380 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.894 -2.039 0.506 1.00 0.31 C ATOM 0 H ILE A 50 -8.955 -0.652 -3.126 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.702 -2.900 -3.519 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.952 -0.564 -1.591 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.682 -3.295 -1.209 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.819 -1.774 -1.321 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.364 -2.146 -0.310 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.035 -1.835 -1.929 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.169 -3.354 -1.602 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.039 -2.487 1.012 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.934 -0.974 0.736 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.811 -2.519 0.849 1.00 0.31 H new ATOM 691 N THR A 51 -12.362 -1.817 -5.027 1.00 0.54 N ATOM 692 CA THR A 51 -13.445 -1.273 -5.823 1.00 0.64 C ATOM 693 C THR A 51 -14.514 -2.341 -6.044 1.00 0.79 C ATOM 694 O THR A 51 -15.334 -2.258 -6.960 1.00 0.88 O ATOM 695 CB THR A 51 -12.917 -0.732 -7.172 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.989 -0.217 -7.973 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.166 -1.809 -7.945 1.00 0.70 C ATOM 0 H THR A 51 -12.095 -2.769 -5.277 1.00 0.54 H new ATOM 0 HA THR A 51 -13.892 -0.438 -5.284 1.00 0.64 H new ATOM 0 HB THR A 51 -12.224 0.079 -6.947 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.792 -0.761 -7.834 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.808 -1.397 -8.888 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.318 -2.156 -7.355 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.835 -2.646 -8.145 1.00 0.70 H new ATOM 705 N VAL A 52 -14.494 -3.346 -5.183 1.00 0.88 N ATOM 706 CA VAL A 52 -15.456 -4.425 -5.234 1.00 1.10 C ATOM 707 C VAL A 52 -16.094 -4.617 -3.857 1.00 1.38 C ATOM 708 O VAL A 52 -15.561 -4.128 -2.855 1.00 1.44 O ATOM 709 CB VAL A 52 -14.771 -5.736 -5.690 1.00 1.13 C ATOM 710 CG1 VAL A 52 -13.864 -6.291 -4.600 1.00 1.17 C ATOM 711 CG2 VAL A 52 -15.800 -6.763 -6.115 1.00 1.44 C ATOM 0 H VAL A 52 -13.810 -3.433 -4.432 1.00 0.88 H new ATOM 0 HA VAL A 52 -16.233 -4.170 -5.955 1.00 1.10 H new ATOM 0 HB VAL A 52 -14.148 -5.505 -6.554 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -13.397 -7.212 -4.949 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.091 -5.560 -4.362 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.454 -6.499 -3.707 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -15.294 -7.675 -6.431 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -16.460 -6.986 -5.276 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.387 -6.368 -6.944 1.00 1.44 H new ATOM 721 N ALA A 53 -17.246 -5.294 -3.823 1.00 1.71 N ATOM 722 CA ALA A 53 -17.935 -5.650 -2.579 1.00 2.11 C ATOM 723 C ALA A 53 -18.596 -4.440 -1.922 1.00 2.05 C ATOM 724 O ALA A 53 -19.819 -4.394 -1.806 1.00 2.54 O ATOM 725 CB ALA A 53 -16.988 -6.340 -1.604 1.00 2.94 C ATOM 0 H ALA A 53 -17.729 -5.612 -4.663 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.727 -6.350 -2.845 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -17.527 -6.592 -0.691 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -16.598 -7.251 -2.059 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -16.161 -5.671 -1.365 1.00 2.94 H new ATOM 731 N GLY A 54 -17.801 -3.468 -1.498 1.00 2.23 N ATOM 732 CA GLY A 54 -18.351 -2.332 -0.783 1.00 2.81 C ATOM 733 C GLY A 54 -18.946 -2.749 0.546 1.00 2.91 C ATOM 734 O GLY A 54 -20.015 -2.284 0.943 1.00 3.50 O ATOM 0 H GLY A 54 -16.790 -3.444 -1.635 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -17.568 -1.592 -0.616 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -19.118 -1.854 -1.392 1.00 2.81 H new ATOM 738 N SER A 55 -18.255 -3.653 1.221 1.00 2.88 N ATOM 739 CA SER A 55 -18.700 -4.179 2.499 1.00 3.27 C ATOM 740 C SER A 55 -17.482 -4.543 3.345 1.00 2.84 C ATOM 741 O SER A 55 -16.362 -4.165 2.999 1.00 3.08 O ATOM 742 CB SER A 55 -19.589 -5.408 2.277 1.00 4.15 C ATOM 743 OG SER A 55 -20.684 -5.104 1.426 1.00 4.90 O ATOM 0 H SER A 55 -17.370 -4.042 0.897 1.00 2.88 H new ATOM 0 HA SER A 55 -19.284 -3.423 3.024 1.00 3.27 H new ATOM 0 HB2 SER A 55 -18.998 -6.213 1.840 1.00 4.15 H new ATOM 0 HB3 SER A 55 -19.960 -5.769 3.236 1.00 4.15 H new ATOM 0 HG SER A 55 -21.233 -5.906 1.300 1.00 4.90 H new ATOM 749 N SER A 56 -17.685 -5.270 4.436 1.00 2.68 N ATOM 750 CA SER A 56 -16.575 -5.692 5.284 1.00 2.71 C ATOM 751 C SER A 56 -15.609 -6.592 4.512 1.00 2.12 C ATOM 752 O SER A 56 -14.394 -6.533 4.709 1.00 2.50 O ATOM 753 CB SER A 56 -17.107 -6.410 6.527 1.00 3.33 C ATOM 754 OG SER A 56 -18.066 -7.394 6.179 1.00 4.06 O ATOM 0 H SER A 56 -18.603 -5.579 4.755 1.00 2.68 H new ATOM 0 HA SER A 56 -16.025 -4.806 5.600 1.00 2.71 H new ATOM 0 HB2 SER A 56 -16.280 -6.877 7.062 1.00 3.33 H new ATOM 0 HB3 SER A 56 -17.556 -5.684 7.205 1.00 3.33 H new ATOM 0 HG SER A 56 -18.388 -7.838 6.991 1.00 4.06 H new ATOM 760 N ASP A 57 -16.153 -7.389 3.597 1.00 1.64 N ATOM 761 CA ASP A 57 -15.354 -8.306 2.792 1.00 1.50 C ATOM 762 C ASP A 57 -14.715 -7.601 1.598 1.00 1.07 C ATOM 763 O ASP A 57 -14.408 -8.231 0.586 1.00 1.44 O ATOM 764 CB ASP A 57 -16.217 -9.465 2.294 1.00 2.15 C ATOM 765 CG ASP A 57 -16.527 -10.477 3.375 1.00 2.62 C ATOM 766 OD1 ASP A 57 -17.555 -10.322 4.065 1.00 3.12 O ATOM 767 OD2 ASP A 57 -15.751 -11.443 3.532 1.00 3.13 O ATOM 0 H ASP A 57 -17.152 -7.417 3.394 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.557 -8.687 3.430 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -17.151 -9.070 1.895 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -15.705 -9.965 1.472 1.00 2.15 H new ATOM 772 N ALA A 58 -14.512 -6.298 1.714 1.00 0.67 N ATOM 773 CA ALA A 58 -13.884 -5.531 0.648 1.00 0.66 C ATOM 774 C ALA A 58 -12.371 -5.690 0.692 1.00 0.60 C ATOM 775 O ALA A 58 -11.662 -5.303 -0.233 1.00 0.83 O ATOM 776 CB ALA A 58 -14.275 -4.067 0.748 1.00 0.99 C ATOM 0 H ALA A 58 -14.772 -5.750 2.534 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.237 -5.916 -0.309 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.797 -3.507 -0.056 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.358 -3.973 0.662 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.951 -3.669 1.710 1.00 0.99 H new ATOM 782 N CYS A 59 -11.889 -6.268 1.776 1.00 0.45 N ATOM 783 CA CYS A 59 -10.470 -6.520 1.944 1.00 0.54 C ATOM 784 C CYS A 59 -10.252 -7.802 2.734 1.00 0.55 C ATOM 785 O CYS A 59 -10.916 -8.038 3.743 1.00 0.74 O ATOM 786 CB CYS A 59 -9.797 -5.345 2.652 1.00 0.73 C ATOM 787 SG CYS A 59 -8.033 -5.621 3.015 1.00 0.74 S ATOM 0 H CYS A 59 -12.465 -6.574 2.560 1.00 0.45 H new ATOM 0 HA CYS A 59 -10.021 -6.634 0.957 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.896 -4.454 2.032 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.324 -5.145 3.585 1.00 0.73 H new ATOM 792 N SER A 60 -9.329 -8.624 2.265 1.00 0.64 N ATOM 793 CA SER A 60 -9.051 -9.903 2.894 1.00 0.86 C ATOM 794 C SER A 60 -7.801 -9.847 3.772 1.00 0.71 C ATOM 795 O SER A 60 -7.670 -10.614 4.728 1.00 1.05 O ATOM 796 CB SER A 60 -8.896 -10.968 1.809 1.00 1.24 C ATOM 797 OG SER A 60 -8.172 -10.451 0.702 1.00 2.14 O ATOM 0 H SER A 60 -8.756 -8.426 1.445 1.00 0.64 H new ATOM 0 HA SER A 60 -9.886 -10.156 3.547 1.00 0.86 H new ATOM 0 HB2 SER A 60 -8.378 -11.837 2.216 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.879 -11.307 1.482 1.00 1.24 H new ATOM 0 HG SER A 60 -8.080 -11.146 0.017 1.00 2.14 H new ATOM 803 N ALA A 61 -6.886 -8.935 3.453 1.00 0.38 N ATOM 804 CA ALA A 61 -5.632 -8.840 4.187 1.00 0.32 C ATOM 805 C ALA A 61 -5.615 -7.626 5.117 1.00 0.32 C ATOM 806 O ALA A 61 -5.860 -7.754 6.315 1.00 0.54 O ATOM 807 CB ALA A 61 -4.448 -8.812 3.226 1.00 0.38 C ATOM 0 H ALA A 61 -6.990 -8.258 2.697 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.544 -9.728 4.813 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.520 -8.741 3.794 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.440 -9.725 2.631 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.536 -7.950 2.565 1.00 0.38 H new ATOM 813 N THR A 62 -5.335 -6.449 4.570 1.00 0.22 N ATOM 814 CA THR A 62 -5.275 -5.231 5.367 1.00 0.19 C ATOM 815 C THR A 62 -5.740 -4.025 4.551 1.00 0.18 C ATOM 816 O THR A 62 -5.262 -3.799 3.440 1.00 0.20 O ATOM 817 CB THR A 62 -3.840 -4.972 5.875 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.300 -6.169 6.451 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.821 -3.860 6.915 1.00 0.24 C ATOM 0 H THR A 62 -5.146 -6.313 3.577 1.00 0.22 H new ATOM 0 HA THR A 62 -5.938 -5.368 6.221 1.00 0.19 H new ATOM 0 HB THR A 62 -3.232 -4.666 5.024 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.389 -5.997 6.769 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.798 -3.698 7.256 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.206 -2.941 6.472 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.445 -4.144 7.762 1.00 0.24 H new ATOM 827 N ALA A 63 -6.664 -3.253 5.105 1.00 0.19 N ATOM 828 CA ALA A 63 -7.211 -2.101 4.404 1.00 0.20 C ATOM 829 C ALA A 63 -6.336 -0.880 4.630 1.00 0.17 C ATOM 830 O ALA A 63 -5.954 -0.576 5.761 1.00 0.19 O ATOM 831 CB ALA A 63 -8.636 -1.828 4.862 1.00 0.25 C ATOM 0 H ALA A 63 -7.050 -3.404 6.037 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.229 -2.321 3.336 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.030 -0.963 4.328 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.258 -2.698 4.653 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.642 -1.627 5.933 1.00 0.25 H new ATOM 837 N VAL A 64 -6.012 -0.189 3.551 1.00 0.14 N ATOM 838 CA VAL A 64 -5.126 0.962 3.617 1.00 0.13 C ATOM 839 C VAL A 64 -5.539 2.039 2.625 1.00 0.14 C ATOM 840 O VAL A 64 -6.413 1.830 1.782 1.00 0.21 O ATOM 841 CB VAL A 64 -3.666 0.569 3.329 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.028 -0.112 4.530 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.611 -0.333 2.113 1.00 0.19 C ATOM 0 H VAL A 64 -6.351 -0.406 2.614 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.204 1.351 4.632 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.098 1.477 3.128 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.997 -0.377 4.293 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.042 0.567 5.383 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.587 -1.015 4.776 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.576 -0.610 1.912 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.197 -1.233 2.301 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -4.020 0.193 1.251 1.00 0.19 H new ATOM 853 N CYS A 65 -4.893 3.185 2.735 1.00 0.17 N ATOM 854 CA CYS A 65 -5.166 4.319 1.873 1.00 0.17 C ATOM 855 C CYS A 65 -3.857 4.994 1.480 1.00 0.13 C ATOM 856 O CYS A 65 -3.222 5.657 2.303 1.00 0.14 O ATOM 857 CB CYS A 65 -6.077 5.304 2.606 1.00 0.23 C ATOM 858 SG CYS A 65 -6.601 6.740 1.617 1.00 0.39 S ATOM 0 H CYS A 65 -4.163 3.356 3.426 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.667 3.980 0.966 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.965 4.772 2.947 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.560 5.663 3.496 1.00 0.23 H new ATOM 863 N CYS A 66 -3.441 4.805 0.237 1.00 0.12 N ATOM 864 CA CYS A 66 -2.178 5.355 -0.236 1.00 0.13 C ATOM 865 C CYS A 66 -2.335 6.764 -0.788 1.00 0.16 C ATOM 866 O CYS A 66 -3.255 7.056 -1.555 1.00 0.23 O ATOM 867 CB CYS A 66 -1.551 4.446 -1.288 1.00 0.19 C ATOM 868 SG CYS A 66 -0.398 3.215 -0.604 1.00 0.65 S ATOM 0 H CYS A 66 -3.959 4.275 -0.463 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.515 5.411 0.627 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.345 3.927 -1.826 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.022 5.060 -2.016 1.00 0.19 H new ATOM 873 N SER A 67 -1.415 7.627 -0.382 1.00 0.24 N ATOM 874 CA SER A 67 -1.406 9.017 -0.803 1.00 0.29 C ATOM 875 C SER A 67 -0.685 9.182 -2.135 1.00 0.32 C ATOM 876 O SER A 67 -0.856 10.187 -2.828 1.00 0.41 O ATOM 877 CB SER A 67 -0.729 9.865 0.268 1.00 0.35 C ATOM 878 OG SER A 67 -1.327 9.646 1.535 1.00 1.15 O ATOM 0 H SER A 67 -0.653 7.381 0.250 1.00 0.24 H new ATOM 0 HA SER A 67 -2.436 9.348 -0.936 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.332 9.621 0.315 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.802 10.920 0.003 1.00 0.35 H new ATOM 0 HG SER A 67 -0.878 10.198 2.209 1.00 1.15 H new ATOM 884 N ASP A 68 0.114 8.189 -2.489 1.00 0.30 N ATOM 885 CA ASP A 68 0.868 8.223 -3.735 1.00 0.37 C ATOM 886 C ASP A 68 0.160 7.367 -4.781 1.00 0.44 C ATOM 887 O ASP A 68 -0.662 6.514 -4.440 1.00 0.57 O ATOM 888 CB ASP A 68 2.297 7.716 -3.510 1.00 0.43 C ATOM 889 CG ASP A 68 3.267 8.184 -4.581 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.134 7.763 -5.743 1.00 1.60 O ATOM 891 OD2 ASP A 68 4.175 8.978 -4.259 1.00 1.52 O ATOM 0 H ASP A 68 0.259 7.347 -1.931 1.00 0.30 H new ATOM 0 HA ASP A 68 0.923 9.252 -4.091 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.648 8.056 -2.536 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.290 6.626 -3.484 1.00 0.43 H new ATOM 896 N ASN A 69 0.466 7.601 -6.045 1.00 0.53 N ATOM 897 CA ASN A 69 -0.199 6.900 -7.137 1.00 0.63 C ATOM 898 C ASN A 69 0.774 5.962 -7.855 1.00 0.59 C ATOM 899 O ASN A 69 0.374 5.162 -8.705 1.00 0.64 O ATOM 900 CB ASN A 69 -0.781 7.913 -8.128 1.00 0.84 C ATOM 901 CG ASN A 69 -1.738 7.280 -9.119 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.425 6.310 -8.803 1.00 2.35 O ATOM 903 ND2 ASN A 69 -1.791 7.822 -10.324 1.00 2.49 N ATOM 0 H ASN A 69 1.173 8.273 -6.344 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.007 6.299 -6.720 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.301 8.696 -7.577 1.00 0.84 H new ATOM 0 HB3 ASN A 69 0.033 8.392 -8.671 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -2.418 7.436 -11.030 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -1.205 8.626 -10.548 1.00 2.49 H new ATOM 910 N ASN A 70 2.048 6.057 -7.496 1.00 0.59 N ATOM 911 CA ASN A 70 3.094 5.254 -8.123 1.00 0.64 C ATOM 912 C ASN A 70 3.050 3.816 -7.619 1.00 0.55 C ATOM 913 O ASN A 70 3.387 3.536 -6.470 1.00 0.86 O ATOM 914 CB ASN A 70 4.474 5.864 -7.841 1.00 0.83 C ATOM 915 CG ASN A 70 5.618 5.041 -8.408 1.00 1.50 C ATOM 916 OD1 ASN A 70 5.477 4.372 -9.431 1.00 2.24 O ATOM 917 ND2 ASN A 70 6.764 5.088 -7.747 1.00 2.27 N ATOM 0 H ASN A 70 2.385 6.687 -6.768 1.00 0.59 H new ATOM 0 HA ASN A 70 2.919 5.249 -9.199 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.513 6.868 -8.263 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.606 5.965 -6.764 1.00 0.83 H new ATOM 0 HD21 ASN A 70 7.568 4.558 -8.082 1.00 2.27 H new ATOM 0 HD22 ASN A 70 6.843 5.654 -6.902 1.00 2.27 H new ATOM 924 N VAL A 71 2.614 2.912 -8.479 1.00 0.41 N ATOM 925 CA VAL A 71 2.579 1.505 -8.154 1.00 0.38 C ATOM 926 C VAL A 71 3.469 0.721 -9.109 1.00 0.33 C ATOM 927 O VAL A 71 3.564 1.048 -10.288 1.00 0.38 O ATOM 928 CB VAL A 71 1.141 0.960 -8.218 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.303 1.540 -7.090 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.497 1.258 -9.565 1.00 1.03 C ATOM 0 H VAL A 71 2.277 3.135 -9.416 1.00 0.41 H new ATOM 0 HA VAL A 71 2.950 1.385 -7.136 1.00 0.38 H new ATOM 0 HB VAL A 71 1.187 -0.123 -8.100 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.711 1.145 -7.150 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.744 1.266 -6.131 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.275 2.626 -7.179 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.518 0.861 -9.579 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.467 2.336 -9.723 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.080 0.791 -10.358 1.00 1.03 H new ATOM 940 N SER A 72 4.126 -0.307 -8.593 1.00 0.32 N ATOM 941 CA SER A 72 5.014 -1.132 -9.401 1.00 0.37 C ATOM 942 C SER A 72 4.223 -2.214 -10.128 1.00 0.42 C ATOM 943 O SER A 72 4.777 -2.995 -10.902 1.00 0.55 O ATOM 944 CB SER A 72 6.076 -1.772 -8.508 1.00 0.45 C ATOM 945 OG SER A 72 5.476 -2.634 -7.557 1.00 1.41 O ATOM 0 H SER A 72 4.061 -0.591 -7.615 1.00 0.32 H new ATOM 0 HA SER A 72 5.501 -0.501 -10.145 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.783 -2.333 -9.120 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.644 -0.995 -7.995 1.00 0.45 H new ATOM 0 HG SER A 72 6.095 -3.361 -7.338 1.00 1.41 H new ATOM 951 N GLY A 73 2.921 -2.242 -9.875 1.00 0.39 N ATOM 952 CA GLY A 73 2.065 -3.251 -10.462 1.00 0.48 C ATOM 953 C GLY A 73 1.238 -3.971 -9.428 1.00 0.41 C ATOM 954 O GLY A 73 0.108 -4.367 -9.703 1.00 0.48 O ATOM 0 H GLY A 73 2.441 -1.577 -9.268 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.404 -2.784 -11.192 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.676 -3.974 -11.003 1.00 0.48 H new ATOM 958 N VAL A 74 1.780 -4.128 -8.227 1.00 0.31 N ATOM 959 CA VAL A 74 1.033 -4.774 -7.157 1.00 0.28 C ATOM 960 C VAL A 74 1.183 -4.039 -5.830 1.00 0.22 C ATOM 961 O VAL A 74 0.411 -4.264 -4.907 1.00 0.34 O ATOM 962 CB VAL A 74 1.452 -6.248 -6.967 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.343 -7.011 -8.278 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.855 -6.344 -6.396 1.00 0.38 C ATOM 0 H VAL A 74 2.719 -3.822 -7.972 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.012 -4.740 -7.463 1.00 0.28 H new ATOM 0 HB VAL A 74 0.769 -6.706 -6.252 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.643 -8.047 -8.122 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.313 -6.981 -8.632 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.995 -6.553 -9.021 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.126 -7.392 -6.272 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.559 -5.865 -7.077 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.889 -5.843 -5.428 1.00 0.38 H new ATOM 974 N ILE A 75 2.174 -3.164 -5.722 1.00 0.18 N ATOM 975 CA ILE A 75 2.409 -2.473 -4.459 1.00 0.17 C ATOM 976 C ILE A 75 1.591 -1.201 -4.350 1.00 0.16 C ATOM 977 O ILE A 75 0.785 -0.879 -5.219 1.00 0.20 O ATOM 978 CB ILE A 75 3.882 -2.087 -4.259 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.304 -1.066 -5.306 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.761 -3.310 -4.331 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.538 -0.285 -4.930 1.00 0.30 C ATOM 0 H ILE A 75 2.816 -2.919 -6.475 1.00 0.18 H new ATOM 0 HA ILE A 75 2.110 -3.186 -3.691 1.00 0.17 H new ATOM 0 HB ILE A 75 3.995 -1.640 -3.271 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.484 -1.580 -6.250 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.482 -0.370 -5.474 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.802 -3.019 -4.187 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.470 -4.014 -3.551 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.648 -3.783 -5.307 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.777 0.422 -5.724 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.356 0.258 -4.003 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.374 -0.970 -4.791 1.00 0.30 H new ATOM 993 N ALA A 76 1.827 -0.498 -3.261 1.00 0.15 N ATOM 994 CA ALA A 76 1.221 0.792 -3.002 1.00 0.16 C ATOM 995 C ALA A 76 2.178 1.622 -2.146 1.00 0.14 C ATOM 996 O ALA A 76 2.853 1.074 -1.279 1.00 0.15 O ATOM 997 CB ALA A 76 -0.113 0.594 -2.301 1.00 0.18 C ATOM 0 H ALA A 76 2.454 -0.811 -2.520 1.00 0.15 H new ATOM 0 HA ALA A 76 1.036 1.322 -3.936 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.569 1.565 -2.106 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.774 0.004 -2.936 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.046 0.072 -1.358 1.00 0.18 H new ATOM 1003 N ILE A 77 2.265 2.922 -2.395 1.00 0.15 N ATOM 1004 CA ILE A 77 3.218 3.757 -1.666 1.00 0.16 C ATOM 1005 C ILE A 77 2.510 4.836 -0.845 1.00 0.16 C ATOM 1006 O ILE A 77 1.646 5.552 -1.352 1.00 0.21 O ATOM 1007 CB ILE A 77 4.236 4.424 -2.620 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.977 3.361 -3.437 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.226 5.275 -1.835 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.962 3.936 -4.434 1.00 0.26 C ATOM 0 H ILE A 77 1.699 3.417 -3.084 1.00 0.15 H new ATOM 0 HA ILE A 77 3.754 3.094 -0.987 1.00 0.16 H new ATOM 0 HB ILE A 77 3.692 5.073 -3.306 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.509 2.697 -2.755 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.247 2.752 -3.971 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.935 5.736 -2.523 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.688 6.052 -1.293 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.765 4.646 -1.127 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.448 3.124 -4.975 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.433 4.577 -5.140 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.714 4.521 -3.906 1.00 0.26 H new ATOM 1022 N GLY A 78 2.880 4.934 0.429 1.00 0.16 N ATOM 1023 CA GLY A 78 2.315 5.951 1.297 1.00 0.17 C ATOM 1024 C GLY A 78 0.921 5.591 1.752 1.00 0.15 C ATOM 1025 O GLY A 78 -0.008 6.385 1.620 1.00 0.17 O ATOM 0 H GLY A 78 3.564 4.324 0.877 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.958 6.084 2.167 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.290 6.905 0.770 1.00 0.17 H new ATOM 1029 N CYS A 79 0.778 4.388 2.286 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.517 3.877 2.691 1.00 0.13 C ATOM 1031 C CYS A 79 -0.748 4.027 4.184 1.00 0.13 C ATOM 1032 O CYS A 79 0.089 3.654 5.001 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.637 2.408 2.296 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.497 2.139 0.714 1.00 0.65 S ATOM 0 H CYS A 79 1.552 3.744 2.449 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.279 4.465 2.179 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.362 1.976 2.234 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.168 1.872 3.083 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.891 4.592 4.529 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.315 4.668 5.913 1.00 0.15 C ATOM 1041 C LEU A 80 -3.307 3.554 6.206 1.00 0.15 C ATOM 1042 O LEU A 80 -4.239 3.333 5.435 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.952 6.021 6.218 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.036 7.231 6.033 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.795 8.517 6.309 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.822 7.122 6.943 1.00 0.26 C ATOM 0 H LEU A 80 -2.545 5.007 3.865 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.437 4.554 6.548 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.825 6.146 5.577 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.311 6.011 7.247 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.691 7.250 4.999 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.129 9.369 6.173 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.635 8.599 5.619 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.167 8.507 7.334 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.180 7.991 6.799 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.149 7.080 7.982 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.266 6.216 6.701 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.107 2.829 7.308 1.00 0.15 N ATOM 1059 CA PRO A 81 -3.976 1.717 7.693 1.00 0.17 C ATOM 1060 C PRO A 81 -5.365 2.191 8.097 1.00 0.21 C ATOM 1061 O PRO A 81 -5.514 3.021 8.996 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.262 1.083 8.893 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.898 1.685 8.921 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.021 3.033 8.271 1.00 0.17 C ATOM 0 HA PRO A 81 -4.131 1.024 6.866 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.798 1.288 9.820 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.209 -0.001 8.788 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.535 1.778 9.944 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.185 1.058 8.385 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.263 3.811 8.995 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.095 3.332 7.780 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.376 1.668 7.425 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.746 2.021 7.701 1.00 0.30 C ATOM 1074 C VAL A 82 -8.565 0.776 7.992 1.00 0.39 C ATOM 1075 O VAL A 82 -8.188 -0.335 7.617 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.386 2.789 6.528 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.878 4.222 6.477 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.124 2.089 5.203 1.00 0.20 C ATOM 0 H VAL A 82 -6.264 0.987 6.674 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.741 2.672 8.575 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.463 2.808 6.696 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.344 4.744 5.641 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.130 4.731 7.408 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.796 4.220 6.346 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.588 2.654 4.395 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.049 2.025 5.031 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.547 1.085 5.232 1.00 0.20 H new ATOM 1088 N THR A 83 -9.662 0.961 8.693 1.00 0.53 N ATOM 1089 CA THR A 83 -10.583 -0.122 8.992 1.00 0.70 C ATOM 1090 C THR A 83 -11.970 0.452 9.264 1.00 1.46 C ATOM 1091 O THR A 83 -12.090 1.499 9.901 1.00 2.07 O ATOM 1092 CB THR A 83 -10.118 -0.942 10.217 1.00 1.31 C ATOM 1093 OG1 THR A 83 -8.747 -1.347 10.053 1.00 1.98 O ATOM 1094 CG2 THR A 83 -10.989 -2.176 10.402 1.00 1.65 C ATOM 0 H THR A 83 -9.944 1.865 9.073 1.00 0.53 H new ATOM 0 HA THR A 83 -10.612 -0.788 8.130 1.00 0.70 H new ATOM 0 HB THR A 83 -10.208 -0.310 11.100 1.00 1.31 H new ATOM 0 HG1 THR A 83 -8.503 -1.299 9.105 1.00 1.98 H new ATOM 0 HG21 THR A 83 -10.644 -2.738 11.270 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.024 -1.871 10.556 1.00 1.65 H new ATOM 0 HG23 THR A 83 -10.924 -2.804 9.513 1.00 1.65 H new ATOM 1102 N LEU A 84 -12.999 -0.228 8.761 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.381 0.201 8.938 1.00 2.80 C ATOM 1104 C LEU A 84 -14.590 1.606 8.384 1.00 3.45 C ATOM 1105 O LEU A 84 -14.678 2.562 9.183 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.771 0.145 10.414 1.00 3.22 C ATOM 1107 CG LEU A 84 -14.845 -1.260 11.004 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -15.074 -1.198 12.505 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -15.943 -2.066 10.330 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.626 1.755 7.146 1.00 3.91 O ATOM 0 H LEU A 84 -12.897 -1.088 8.222 1.00 1.87 H new ATOM 0 HA LEU A 84 -15.023 -0.482 8.382 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -14.050 0.727 10.988 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.741 0.627 10.538 1.00 3.22 H new ATOM 0 HG LEU A 84 -13.893 -1.758 10.822 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -15.124 -2.210 12.908 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -14.252 -0.660 12.977 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -16.011 -0.680 12.709 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -15.980 -3.065 10.764 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -16.902 -1.570 10.479 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -15.736 -2.142 9.263 1.00 3.37 H new TER 1122 LEU A 84