USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 10 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 6 SER OG : rot 160:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0951 (180deg=-0.412) USER MOD Single : A 12 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.7!) USER MOD Single : A 13 THR OG1 : rot 130:sc= 1.26 USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= 1.25 (180deg=0.845) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc=-0.00453 (180deg=-0.129) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0171 (180deg=-0.164) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.786 K(o=-0.79,f=-2.6!) USER MOD Single : A 48 GLN : amide:sc= -2.47! C(o=-2.5!,f=-5.2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.869 K(o=-0.87,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -35:sc= 0.154 USER MOD Single : A 83 ASN : amide:sc= 1.29 K(o=1.3,f=-6.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 7.466 -5.788 -5.131 1.00 0.81 N ATOM 29 CA TRP A 4 8.154 -5.548 -3.875 1.00 0.60 C ATOM 30 C TRP A 4 8.453 -6.854 -3.164 1.00 0.62 C ATOM 31 O TRP A 4 7.742 -7.848 -3.336 1.00 0.74 O ATOM 32 CB TRP A 4 7.313 -4.651 -2.973 1.00 0.45 C ATOM 33 CG TRP A 4 7.185 -3.257 -3.491 1.00 0.38 C ATOM 34 CD1 TRP A 4 6.064 -2.667 -3.991 1.00 0.42 C ATOM 35 CD2 TRP A 4 8.223 -2.284 -3.573 1.00 0.36 C ATOM 36 NE1 TRP A 4 6.342 -1.379 -4.376 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.663 -1.121 -4.129 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.574 -2.283 -3.228 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.408 0.030 -4.346 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.313 -1.139 -3.443 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.729 0.003 -3.997 1.00 0.52 C ATOM 0 HA TRP A 4 9.097 -5.049 -4.097 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.319 -5.085 -2.864 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.760 -4.624 -1.979 1.00 0.45 H new ATOM 0 HD1 TRP A 4 5.098 -3.143 -4.073 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.674 -0.722 -4.780 1.00 0.40 H new ATOM 0 HE3 TRP A 4 10.033 -3.162 -2.800 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.960 0.914 -4.775 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.360 -1.125 -3.179 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.335 0.883 -4.153 1.00 0.52 H new ATOM 52 N GLU A 5 9.511 -6.845 -2.372 1.00 0.66 N ATOM 53 CA GLU A 5 9.916 -8.020 -1.625 1.00 0.73 C ATOM 54 C GLU A 5 8.957 -8.282 -0.468 1.00 0.67 C ATOM 55 O GLU A 5 8.936 -7.540 0.515 1.00 0.78 O ATOM 56 CB GLU A 5 11.340 -7.839 -1.097 1.00 0.96 C ATOM 57 CG GLU A 5 12.401 -7.848 -2.182 1.00 1.49 C ATOM 58 CD GLU A 5 12.486 -9.181 -2.892 1.00 2.14 C ATOM 59 OE1 GLU A 5 13.148 -10.100 -2.365 1.00 2.65 O ATOM 60 OE2 GLU A 5 11.884 -9.322 -3.977 1.00 2.73 O ATOM 0 H GLU A 5 10.108 -6.030 -2.230 1.00 0.66 H new ATOM 0 HA GLU A 5 9.890 -8.880 -2.294 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.399 -6.897 -0.552 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.557 -8.634 -0.383 1.00 0.96 H new ATOM 0 HG2 GLU A 5 12.181 -7.066 -2.908 1.00 1.49 H new ATOM 0 HG3 GLU A 5 13.370 -7.611 -1.742 1.00 1.49 H new ATOM 67 N SER A 6 8.156 -9.327 -0.612 1.00 0.74 N ATOM 68 CA SER A 6 7.262 -9.773 0.447 1.00 0.87 C ATOM 69 C SER A 6 7.735 -11.120 0.982 1.00 0.88 C ATOM 70 O SER A 6 7.007 -11.818 1.689 1.00 0.90 O ATOM 71 CB SER A 6 5.831 -9.883 -0.084 1.00 1.16 C ATOM 72 OG SER A 6 5.433 -8.676 -0.711 1.00 1.75 O ATOM 0 H SER A 6 8.107 -9.888 -1.462 1.00 0.74 H new ATOM 0 HA SER A 6 7.274 -9.045 1.258 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.764 -10.707 -0.795 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.151 -10.114 0.736 1.00 1.16 H new ATOM 0 HG SER A 6 4.677 -8.852 -1.309 1.00 1.75 H new ATOM 78 N LYS A 7 8.973 -11.461 0.643 1.00 0.95 N ATOM 79 CA LYS A 7 9.556 -12.758 0.970 1.00 1.09 C ATOM 80 C LYS A 7 9.656 -12.965 2.481 1.00 1.03 C ATOM 81 O LYS A 7 9.508 -14.080 2.984 1.00 1.09 O ATOM 82 CB LYS A 7 10.928 -12.872 0.305 1.00 1.37 C ATOM 83 CG LYS A 7 11.745 -14.074 0.743 1.00 1.65 C ATOM 84 CD LYS A 7 10.954 -15.359 0.608 1.00 2.11 C ATOM 85 CE LYS A 7 11.741 -16.551 1.122 1.00 2.79 C ATOM 86 NZ LYS A 7 12.110 -16.395 2.555 1.00 3.24 N ATOM 0 H LYS A 7 9.604 -10.844 0.132 1.00 0.95 H new ATOM 0 HA LYS A 7 8.904 -13.544 0.589 1.00 1.09 H new ATOM 0 HB2 LYS A 7 10.791 -12.917 -0.775 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.496 -11.966 0.517 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.652 -14.138 0.141 1.00 1.65 H new ATOM 0 HG3 LYS A 7 12.058 -13.945 1.779 1.00 1.65 H new ATOM 0 HD2 LYS A 7 10.019 -15.272 1.162 1.00 2.11 H new ATOM 0 HD3 LYS A 7 10.691 -15.518 -0.438 1.00 2.11 H new ATOM 0 HE2 LYS A 7 11.150 -17.458 0.996 1.00 2.79 H new ATOM 0 HE3 LYS A 7 12.645 -16.674 0.525 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 12.398 -17.316 2.942 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 12.899 -15.722 2.639 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 11.291 -16.037 3.087 1.00 3.24 H new ATOM 100 N THR A 8 9.900 -11.886 3.195 1.00 1.01 N ATOM 101 CA THR A 8 9.978 -11.925 4.646 1.00 1.08 C ATOM 102 C THR A 8 8.626 -12.273 5.268 1.00 0.93 C ATOM 103 O THR A 8 8.561 -12.802 6.377 1.00 1.03 O ATOM 104 CB THR A 8 10.462 -10.579 5.207 1.00 1.25 C ATOM 105 OG1 THR A 8 9.720 -9.509 4.610 1.00 2.05 O ATOM 106 CG2 THR A 8 11.947 -10.383 4.949 1.00 1.66 C ATOM 0 H THR A 8 10.049 -10.961 2.792 1.00 1.01 H new ATOM 0 HA THR A 8 10.696 -12.703 4.906 1.00 1.08 H new ATOM 0 HB THR A 8 10.299 -10.579 6.285 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.031 -8.653 4.972 1.00 2.05 H new ATOM 0 HG21 THR A 8 12.263 -9.423 5.356 1.00 1.66 H new ATOM 0 HG22 THR A 8 12.509 -11.184 5.430 1.00 1.66 H new ATOM 0 HG23 THR A 8 12.135 -10.402 3.876 1.00 1.66 H new ATOM 114 N GLY A 9 7.553 -11.995 4.537 1.00 0.79 N ATOM 115 CA GLY A 9 6.221 -12.246 5.049 1.00 0.79 C ATOM 116 C GLY A 9 5.582 -10.992 5.603 1.00 0.69 C ATOM 117 O GLY A 9 4.595 -11.062 6.336 1.00 0.88 O ATOM 0 H GLY A 9 7.583 -11.600 3.597 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.596 -12.650 4.252 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.270 -13.004 5.831 1.00 0.79 H new ATOM 121 N SER A 10 6.145 -9.843 5.251 1.00 0.61 N ATOM 122 CA SER A 10 5.673 -8.564 5.758 1.00 0.73 C ATOM 123 C SER A 10 4.264 -8.240 5.267 1.00 0.64 C ATOM 124 O SER A 10 3.472 -7.619 5.980 1.00 0.73 O ATOM 125 CB SER A 10 6.642 -7.461 5.330 1.00 0.96 C ATOM 126 OG SER A 10 7.001 -7.615 3.965 1.00 1.72 O ATOM 0 H SER A 10 6.936 -9.773 4.611 1.00 0.61 H new ATOM 0 HA SER A 10 5.633 -8.626 6.845 1.00 0.73 H new ATOM 0 HB2 SER A 10 6.181 -6.485 5.483 1.00 0.96 H new ATOM 0 HB3 SER A 10 7.536 -7.493 5.953 1.00 0.96 H new ATOM 0 HG SER A 10 7.620 -6.900 3.707 1.00 1.72 H new ATOM 132 N CYS A 11 3.938 -8.691 4.070 1.00 0.52 N ATOM 133 CA CYS A 11 2.651 -8.366 3.475 1.00 0.44 C ATOM 134 C CYS A 11 1.913 -9.629 3.053 1.00 0.41 C ATOM 135 O CYS A 11 2.520 -10.578 2.562 1.00 0.43 O ATOM 136 CB CYS A 11 2.862 -7.450 2.269 1.00 0.41 C ATOM 137 SG CYS A 11 1.324 -6.763 1.578 1.00 1.19 S ATOM 0 H CYS A 11 4.540 -9.279 3.493 1.00 0.52 H new ATOM 0 HA CYS A 11 2.042 -7.852 4.219 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.515 -6.628 2.561 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.381 -8.008 1.489 1.00 0.41 H new ATOM 142 N ASN A 12 0.598 -9.627 3.250 1.00 0.46 N ATOM 143 CA ASN A 12 -0.238 -10.774 2.911 1.00 0.53 C ATOM 144 C ASN A 12 -0.823 -10.657 1.507 1.00 0.47 C ATOM 145 O ASN A 12 -1.096 -11.664 0.855 1.00 0.57 O ATOM 146 CB ASN A 12 -1.368 -10.949 3.936 1.00 0.69 C ATOM 147 CG ASN A 12 -2.264 -9.731 4.060 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.276 -9.615 3.372 1.00 1.66 O ATOM 149 ND2 ASN A 12 -1.904 -8.817 4.949 1.00 1.03 N ATOM 0 H ASN A 12 0.086 -8.838 3.645 1.00 0.46 H new ATOM 0 HA ASN A 12 0.404 -11.654 2.935 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.974 -11.810 3.654 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.933 -11.172 4.910 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.474 -7.982 5.081 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.057 -8.949 5.502 1.00 1.03 H new ATOM 156 N THR A 13 -1.022 -9.430 1.048 1.00 0.38 N ATOM 157 CA THR A 13 -1.675 -9.193 -0.231 1.00 0.37 C ATOM 158 C THR A 13 -0.675 -8.939 -1.354 1.00 0.35 C ATOM 159 O THR A 13 -1.000 -9.085 -2.534 1.00 0.44 O ATOM 160 CB THR A 13 -2.641 -8.004 -0.124 1.00 0.41 C ATOM 161 OG1 THR A 13 -2.065 -7.004 0.726 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.985 -8.449 0.432 1.00 0.52 C ATOM 0 H THR A 13 -0.741 -8.583 1.542 1.00 0.38 H new ATOM 0 HA THR A 13 -2.229 -10.099 -0.478 1.00 0.37 H new ATOM 0 HB THR A 13 -2.806 -7.591 -1.119 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.103 -6.133 0.278 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.653 -7.591 0.499 1.00 0.52 H new ATOM 0 HG22 THR A 13 -4.422 -9.198 -0.228 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.844 -8.878 1.424 1.00 0.52 H new ATOM 170 N GLY A 14 0.539 -8.555 -0.986 1.00 0.29 N ATOM 171 CA GLY A 14 1.569 -8.312 -1.976 1.00 0.31 C ATOM 172 C GLY A 14 1.487 -6.920 -2.571 1.00 0.30 C ATOM 173 O GLY A 14 1.968 -6.684 -3.678 1.00 0.43 O ATOM 0 H GLY A 14 0.829 -8.407 -0.019 1.00 0.29 H new ATOM 0 HA2 GLY A 14 2.548 -8.450 -1.518 1.00 0.31 H new ATOM 0 HA3 GLY A 14 1.483 -9.050 -2.774 1.00 0.31 H new ATOM 177 N LYS A 15 0.865 -6.000 -1.842 1.00 0.24 N ATOM 178 CA LYS A 15 0.780 -4.609 -2.273 1.00 0.25 C ATOM 179 C LYS A 15 1.532 -3.712 -1.295 1.00 0.24 C ATOM 180 O LYS A 15 0.970 -3.269 -0.295 1.00 0.25 O ATOM 181 CB LYS A 15 -0.675 -4.136 -2.350 1.00 0.31 C ATOM 182 CG LYS A 15 -1.567 -4.914 -3.306 1.00 0.41 C ATOM 183 CD LYS A 15 -2.932 -4.248 -3.402 1.00 0.57 C ATOM 184 CE LYS A 15 -3.832 -4.898 -4.439 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.524 -6.111 -3.928 1.00 1.64 N ATOM 0 H LYS A 15 0.412 -6.192 -0.949 1.00 0.24 H new ATOM 0 HA LYS A 15 1.226 -4.545 -3.265 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.109 -4.189 -1.352 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.683 -3.087 -2.646 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -1.105 -4.959 -4.292 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.678 -5.941 -2.959 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.420 -4.288 -2.428 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.801 -3.195 -3.650 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.576 -4.174 -4.771 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.237 -5.166 -5.312 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.309 -6.920 -4.546 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.197 -6.316 -2.962 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -5.551 -5.947 -3.918 1.00 1.64 H new ATOM 199 N LEU A 16 2.803 -3.461 -1.565 1.00 0.26 N ATOM 200 CA LEU A 16 3.603 -2.618 -0.697 1.00 0.30 C ATOM 201 C LEU A 16 3.682 -1.200 -1.245 1.00 0.33 C ATOM 202 O LEU A 16 3.971 -0.993 -2.422 1.00 0.55 O ATOM 203 CB LEU A 16 5.008 -3.196 -0.518 1.00 0.35 C ATOM 204 CG LEU A 16 5.097 -4.412 0.404 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.405 -5.603 -0.218 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.543 -4.741 0.732 1.00 0.43 C ATOM 0 H LEU A 16 3.300 -3.829 -2.376 1.00 0.26 H new ATOM 0 HA LEU A 16 3.117 -2.586 0.278 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.397 -3.473 -1.498 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.658 -2.414 -0.126 1.00 0.35 H new ATOM 0 HG LEU A 16 4.588 -4.168 1.336 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.479 -6.458 0.453 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.355 -5.366 -0.388 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.881 -5.845 -1.168 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.578 -5.610 1.389 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.084 -4.960 -0.188 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.006 -3.890 1.231 1.00 0.43 H new ATOM 218 N ALA A 17 3.412 -0.229 -0.390 1.00 0.27 N ATOM 219 CA ALA A 17 3.475 1.170 -0.777 1.00 0.27 C ATOM 220 C ALA A 17 3.857 2.034 0.416 1.00 0.24 C ATOM 221 O ALA A 17 3.561 1.691 1.564 1.00 0.28 O ATOM 222 CB ALA A 17 2.140 1.618 -1.358 1.00 0.29 C ATOM 0 H ALA A 17 3.146 -0.385 0.582 1.00 0.27 H new ATOM 0 HA ALA A 17 4.241 1.286 -1.544 1.00 0.27 H new ATOM 0 HB1 ALA A 17 2.202 2.668 -1.644 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.905 1.016 -2.236 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.357 1.491 -0.611 1.00 0.29 H new ATOM 228 N CYS A 18 4.550 3.131 0.146 1.00 0.26 N ATOM 229 CA CYS A 18 4.901 4.090 1.181 1.00 0.26 C ATOM 230 C CYS A 18 3.773 5.092 1.376 1.00 0.24 C ATOM 231 O CYS A 18 3.631 6.052 0.616 1.00 0.32 O ATOM 232 CB CYS A 18 6.197 4.808 0.827 1.00 0.36 C ATOM 233 SG CYS A 18 7.654 3.719 0.789 1.00 0.74 S ATOM 0 H CYS A 18 4.881 3.379 -0.786 1.00 0.26 H new ATOM 0 HA CYS A 18 5.052 3.551 2.116 1.00 0.26 H new ATOM 0 HB2 CYS A 18 6.084 5.282 -0.148 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.369 5.605 1.551 1.00 0.36 H new ATOM 238 N CYS A 19 2.982 4.868 2.407 1.00 0.21 N ATOM 239 CA CYS A 19 1.759 5.622 2.617 1.00 0.21 C ATOM 240 C CYS A 19 1.880 6.460 3.880 1.00 0.23 C ATOM 241 O CYS A 19 2.699 6.153 4.749 1.00 0.30 O ATOM 242 CB CYS A 19 0.572 4.664 2.747 1.00 0.23 C ATOM 243 SG CYS A 19 0.347 3.530 1.335 1.00 0.50 S ATOM 0 H CYS A 19 3.166 4.162 3.120 1.00 0.21 H new ATOM 0 HA CYS A 19 1.597 6.280 1.763 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.698 4.072 3.654 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.338 5.250 2.873 1.00 0.23 H new ATOM 248 N ASP A 20 1.082 7.515 3.989 1.00 0.23 N ATOM 249 CA ASP A 20 1.058 8.298 5.214 1.00 0.28 C ATOM 250 C ASP A 20 -0.137 7.876 6.041 1.00 0.28 C ATOM 251 O ASP A 20 -1.257 7.841 5.538 1.00 0.34 O ATOM 252 CB ASP A 20 0.940 9.797 4.955 1.00 0.37 C ATOM 253 CG ASP A 20 1.576 10.607 6.064 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.761 10.973 5.929 1.00 1.65 O ATOM 255 OD2 ASP A 20 0.897 10.887 7.072 1.00 1.33 O ATOM 0 H ASP A 20 0.453 7.843 3.256 1.00 0.23 H new ATOM 0 HA ASP A 20 2.000 8.115 5.730 1.00 0.28 H new ATOM 0 HB2 ASP A 20 1.417 10.041 4.006 1.00 0.37 H new ATOM 0 HB3 ASP A 20 -0.111 10.069 4.862 1.00 0.37 H new ATOM 260 N THR A 21 0.086 7.572 7.300 1.00 0.31 N ATOM 261 CA THR A 21 -0.994 7.128 8.156 1.00 0.36 C ATOM 262 C THR A 21 -1.747 8.315 8.752 1.00 0.42 C ATOM 263 O THR A 21 -2.723 8.143 9.479 1.00 0.52 O ATOM 264 CB THR A 21 -0.471 6.220 9.276 1.00 0.41 C ATOM 265 OG1 THR A 21 0.591 6.879 9.978 1.00 0.41 O ATOM 266 CG2 THR A 21 0.035 4.898 8.713 1.00 0.43 C ATOM 0 H THR A 21 0.999 7.623 7.753 1.00 0.31 H new ATOM 0 HA THR A 21 -1.686 6.555 7.539 1.00 0.36 H new ATOM 0 HB THR A 21 -1.293 6.013 9.961 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.921 6.296 10.694 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.400 4.272 9.527 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.779 4.386 8.199 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.846 5.089 8.010 1.00 0.43 H new ATOM 274 N ASN A 22 -1.293 9.522 8.432 1.00 0.43 N ATOM 275 CA ASN A 22 -1.962 10.732 8.875 1.00 0.56 C ATOM 276 C ASN A 22 -2.691 11.356 7.701 1.00 0.50 C ATOM 277 O ASN A 22 -3.541 12.230 7.865 1.00 0.63 O ATOM 278 CB ASN A 22 -0.960 11.726 9.461 1.00 0.70 C ATOM 279 CG ASN A 22 -0.312 11.224 10.737 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.729 10.567 10.706 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.917 11.538 11.869 1.00 2.20 N ATOM 0 H ASN A 22 -0.461 9.685 7.865 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.676 10.475 9.657 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.185 11.932 8.722 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.467 12.669 9.663 1.00 0.70 H new ATOM 0 HD21 ASN A 22 -0.523 11.234 12.759 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -1.778 12.084 11.852 1.00 2.20 H new ATOM 288 N LYS A 23 -2.348 10.887 6.511 1.00 0.40 N ATOM 289 CA LYS A 23 -2.994 11.332 5.291 1.00 0.39 C ATOM 290 C LYS A 23 -4.068 10.346 4.892 1.00 0.32 C ATOM 291 O LYS A 23 -3.774 9.285 4.363 1.00 0.39 O ATOM 292 CB LYS A 23 -1.983 11.463 4.148 1.00 0.47 C ATOM 293 CG LYS A 23 -0.861 12.452 4.409 1.00 0.95 C ATOM 294 CD LYS A 23 -0.028 12.693 3.162 1.00 1.53 C ATOM 295 CE LYS A 23 -0.777 13.556 2.161 1.00 1.84 C ATOM 296 NZ LYS A 23 -0.872 14.973 2.605 1.00 2.60 N ATOM 0 H LYS A 23 -1.617 10.190 6.367 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.436 12.310 5.480 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.548 10.483 3.951 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.513 11.764 3.244 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.281 13.396 4.755 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.222 12.076 5.207 1.00 0.95 H new ATOM 0 HD2 LYS A 23 0.909 13.178 3.435 1.00 1.53 H new ATOM 0 HD3 LYS A 23 0.229 11.738 2.703 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -0.272 13.512 1.196 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -1.780 13.154 2.015 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -1.172 15.568 1.806 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -1.568 15.050 3.374 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 0.057 15.293 2.946 1.00 2.60 H new ATOM 310 N LYS A 24 -5.305 10.689 5.166 1.00 0.49 N ATOM 311 CA LYS A 24 -6.424 9.861 4.771 1.00 0.49 C ATOM 312 C LYS A 24 -7.004 10.362 3.458 1.00 0.45 C ATOM 313 O LYS A 24 -6.807 11.517 3.086 1.00 0.48 O ATOM 314 CB LYS A 24 -7.503 9.875 5.848 1.00 0.61 C ATOM 315 CG LYS A 24 -7.156 9.100 7.114 1.00 0.91 C ATOM 316 CD LYS A 24 -6.120 9.814 7.971 1.00 1.32 C ATOM 317 CE LYS A 24 -5.695 8.966 9.161 1.00 1.88 C ATOM 318 NZ LYS A 24 -6.851 8.555 10.002 1.00 2.17 N ATOM 0 H LYS A 24 -5.564 11.541 5.664 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.069 8.839 4.641 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.712 10.910 6.119 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.421 9.464 5.428 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.062 8.944 7.700 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.779 8.114 6.841 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.247 10.053 7.364 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.530 10.760 8.326 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.174 8.078 8.804 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -4.987 9.528 9.770 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -6.504 8.128 10.884 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -7.431 9.389 10.226 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -7.427 7.861 9.485 1.00 2.17 H new ATOM 332 N VAL A 25 -7.713 9.491 2.763 1.00 0.46 N ATOM 333 CA VAL A 25 -8.339 9.849 1.495 1.00 0.50 C ATOM 334 C VAL A 25 -9.855 9.792 1.647 1.00 0.56 C ATOM 335 O VAL A 25 -10.382 8.980 2.409 1.00 0.57 O ATOM 336 CB VAL A 25 -7.919 8.902 0.347 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.341 9.468 -1.001 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.420 8.632 0.367 1.00 0.44 C ATOM 0 H VAL A 25 -7.872 8.526 3.053 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.009 10.856 1.240 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.431 7.952 0.500 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.035 8.785 -1.794 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.424 9.587 -1.022 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.866 10.437 -1.153 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.160 7.963 -0.453 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.879 9.572 0.254 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.147 8.168 1.315 1.00 0.44 H new ATOM 348 N GLN A 26 -10.548 10.659 0.923 1.00 0.66 N ATOM 349 CA GLN A 26 -11.995 10.765 1.020 1.00 0.78 C ATOM 350 C GLN A 26 -12.681 9.624 0.282 1.00 0.75 C ATOM 351 O GLN A 26 -13.800 9.242 0.616 1.00 0.87 O ATOM 352 CB GLN A 26 -12.472 12.107 0.468 1.00 0.97 C ATOM 353 CG GLN A 26 -12.063 12.372 -0.969 1.00 1.71 C ATOM 354 CD GLN A 26 -12.639 13.668 -1.502 1.00 2.23 C ATOM 355 OE1 GLN A 26 -12.883 14.609 -0.749 1.00 2.62 O ATOM 356 NE2 GLN A 26 -12.853 13.731 -2.805 1.00 2.83 N ATOM 0 H GLN A 26 -10.126 11.305 0.256 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.263 10.700 2.075 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -13.559 12.150 0.538 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -12.080 12.906 1.098 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -10.976 12.407 -1.034 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -12.394 11.545 -1.597 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -12.638 12.929 -3.397 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -13.234 14.582 -3.219 1.00 2.83 H new ATOM 365 N LYS A 27 -12.017 9.095 -0.732 1.00 0.96 N ATOM 366 CA LYS A 27 -12.540 7.962 -1.470 1.00 1.06 C ATOM 367 C LYS A 27 -11.996 6.673 -0.877 1.00 0.94 C ATOM 368 O LYS A 27 -10.795 6.543 -0.653 1.00 1.56 O ATOM 369 CB LYS A 27 -12.160 8.072 -2.948 1.00 1.81 C ATOM 370 CG LYS A 27 -12.565 9.396 -3.582 1.00 2.36 C ATOM 371 CD LYS A 27 -14.072 9.599 -3.578 1.00 2.79 C ATOM 372 CE LYS A 27 -14.740 8.701 -4.596 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.200 8.964 -4.714 1.00 4.07 N ATOM 0 H LYS A 27 -11.113 9.434 -1.062 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.627 7.956 -1.395 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.082 7.945 -3.048 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.630 7.256 -3.498 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.089 10.215 -3.044 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -12.198 9.433 -4.608 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -14.469 9.388 -2.585 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -14.303 10.641 -3.799 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -14.268 8.845 -5.568 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.583 7.659 -4.316 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -16.612 8.324 -5.423 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.657 8.802 -3.794 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -16.353 9.950 -5.007 1.00 4.07 H new ATOM 387 N SER A 28 -12.884 5.737 -0.591 1.00 0.83 N ATOM 388 CA SER A 28 -12.492 4.472 0.007 1.00 1.35 C ATOM 389 C SER A 28 -13.148 3.309 -0.726 1.00 1.17 C ATOM 390 O SER A 28 -13.468 2.278 -0.131 1.00 1.46 O ATOM 391 CB SER A 28 -12.871 4.460 1.485 1.00 2.09 C ATOM 392 OG SER A 28 -12.290 5.565 2.161 1.00 2.46 O ATOM 0 H SER A 28 -13.885 5.829 -0.764 1.00 0.83 H new ATOM 0 HA SER A 28 -11.411 4.359 -0.079 1.00 1.35 H new ATOM 0 HB2 SER A 28 -13.956 4.494 1.588 1.00 2.09 H new ATOM 0 HB3 SER A 28 -12.536 3.530 1.944 1.00 2.09 H new ATOM 0 HG SER A 28 -12.546 5.541 3.107 1.00 2.46 H new ATOM 398 N THR A 29 -13.350 3.495 -2.019 1.00 1.02 N ATOM 399 CA THR A 29 -13.954 2.478 -2.860 1.00 1.07 C ATOM 400 C THR A 29 -12.952 1.366 -3.149 1.00 1.17 C ATOM 401 O THR A 29 -13.220 0.188 -2.898 1.00 2.00 O ATOM 402 CB THR A 29 -14.447 3.094 -4.181 1.00 1.24 C ATOM 403 OG1 THR A 29 -15.235 4.262 -3.905 1.00 1.64 O ATOM 404 CG2 THR A 29 -15.279 2.096 -4.973 1.00 1.64 C ATOM 0 H THR A 29 -13.101 4.352 -2.513 1.00 1.02 H new ATOM 0 HA THR A 29 -14.808 2.057 -2.329 1.00 1.07 H new ATOM 0 HB THR A 29 -13.576 3.367 -4.777 1.00 1.24 H new ATOM 0 HG1 THR A 29 -15.546 4.653 -4.748 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.614 2.558 -5.902 1.00 1.64 H new ATOM 0 HG22 THR A 29 -14.674 1.219 -5.202 1.00 1.64 H new ATOM 0 HG23 THR A 29 -16.145 1.796 -4.384 1.00 1.64 H new ATOM 412 N GLY A 30 -11.803 1.747 -3.675 1.00 0.96 N ATOM 413 CA GLY A 30 -10.752 0.788 -3.940 1.00 1.02 C ATOM 414 C GLY A 30 -10.914 0.108 -5.282 1.00 1.05 C ATOM 415 O GLY A 30 -11.846 -0.674 -5.485 1.00 1.39 O ATOM 0 H GLY A 30 -11.576 2.709 -3.925 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.787 1.293 -3.906 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.745 0.034 -3.153 1.00 1.02 H new ATOM 419 N GLU A 31 -10.007 0.403 -6.201 1.00 1.00 N ATOM 420 CA GLU A 31 -10.046 -0.198 -7.524 1.00 1.18 C ATOM 421 C GLU A 31 -9.684 -1.676 -7.462 1.00 0.94 C ATOM 422 O GLU A 31 -10.389 -2.514 -8.023 1.00 1.04 O ATOM 423 CB GLU A 31 -9.117 0.550 -8.476 1.00 1.63 C ATOM 424 CG GLU A 31 -9.696 1.869 -8.955 1.00 2.14 C ATOM 425 CD GLU A 31 -8.700 2.694 -9.734 1.00 2.60 C ATOM 426 OE1 GLU A 31 -8.426 3.840 -9.332 1.00 2.90 O ATOM 427 OE2 GLU A 31 -8.182 2.198 -10.750 1.00 3.06 O ATOM 0 H GLU A 31 -9.236 1.054 -6.054 1.00 1.00 H new ATOM 0 HA GLU A 31 -11.064 -0.120 -7.905 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -8.167 0.737 -7.976 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -8.904 -0.082 -9.338 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -10.567 1.673 -9.580 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -10.043 2.442 -8.095 1.00 2.14 H new ATOM 434 N GLU A 32 -8.600 -2.003 -6.764 1.00 0.85 N ATOM 435 CA GLU A 32 -8.224 -3.397 -6.588 1.00 1.01 C ATOM 436 C GLU A 32 -9.207 -4.079 -5.648 1.00 1.08 C ATOM 437 O GLU A 32 -9.499 -5.265 -5.789 1.00 1.36 O ATOM 438 CB GLU A 32 -6.799 -3.513 -6.053 1.00 1.26 C ATOM 439 CG GLU A 32 -5.745 -3.034 -7.036 1.00 1.66 C ATOM 440 CD GLU A 32 -5.776 -3.810 -8.337 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.136 -4.879 -8.408 1.00 2.09 O ATOM 442 OE2 GLU A 32 -6.439 -3.352 -9.293 1.00 2.44 O ATOM 0 H GLU A 32 -7.976 -1.331 -6.318 1.00 0.85 H new ATOM 0 HA GLU A 32 -8.257 -3.894 -7.558 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.716 -2.935 -5.133 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -6.599 -4.553 -5.795 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -5.900 -1.975 -7.244 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -4.758 -3.129 -6.582 1.00 1.66 H new ATOM 603 N GLN A 44 -13.084 0.037 4.554 1.00 0.64 N ATOM 604 CA GLN A 44 -11.669 0.007 4.201 1.00 0.45 C ATOM 605 C GLN A 44 -10.986 1.311 4.607 1.00 0.42 C ATOM 606 O GLN A 44 -11.539 2.399 4.425 1.00 0.57 O ATOM 607 CB GLN A 44 -11.487 -0.179 2.698 1.00 0.42 C ATOM 608 CG GLN A 44 -12.356 -1.264 2.091 1.00 0.57 C ATOM 609 CD GLN A 44 -12.114 -1.431 0.604 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.293 -2.243 0.183 1.00 1.40 O ATOM 611 NE2 GLN A 44 -12.808 -0.648 -0.201 1.00 1.18 N ATOM 0 HA GLN A 44 -11.219 -0.831 4.733 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -11.704 0.765 2.198 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.442 -0.413 2.497 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.160 -2.209 2.597 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.405 -1.023 2.261 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -13.481 0.014 0.186 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.672 -0.705 -1.210 1.00 1.18 H new ATOM 620 N VAL A 45 -9.787 1.197 5.140 1.00 0.33 N ATOM 621 CA VAL A 45 -9.035 2.361 5.583 1.00 0.36 C ATOM 622 C VAL A 45 -8.179 2.890 4.449 1.00 0.27 C ATOM 623 O VAL A 45 -7.167 2.293 4.086 1.00 0.33 O ATOM 624 CB VAL A 45 -8.140 2.033 6.797 1.00 0.48 C ATOM 625 CG1 VAL A 45 -7.386 3.270 7.269 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.973 1.451 7.928 1.00 1.37 C ATOM 0 H VAL A 45 -9.308 0.307 5.279 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.754 3.121 5.888 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.406 1.289 6.487 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.763 3.012 8.125 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.756 3.643 6.461 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -8.099 4.042 7.559 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -8.327 1.225 8.777 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.731 2.174 8.231 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -9.459 0.536 7.588 1.00 1.37 H new ATOM 636 N ALA A 46 -8.609 4.002 3.883 1.00 0.24 N ATOM 637 CA ALA A 46 -7.929 4.600 2.750 1.00 0.21 C ATOM 638 C ALA A 46 -7.017 5.732 3.189 1.00 0.20 C ATOM 639 O ALA A 46 -7.482 6.790 3.620 1.00 0.30 O ATOM 640 CB ALA A 46 -8.945 5.108 1.744 1.00 0.29 C ATOM 0 H ALA A 46 -9.435 4.514 4.194 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.311 3.833 2.282 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.426 5.555 0.897 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.559 4.277 1.396 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.581 5.857 2.216 1.00 0.29 H new ATOM 646 N ILE A 47 -5.721 5.504 3.084 1.00 0.21 N ATOM 647 CA ILE A 47 -4.751 6.546 3.352 1.00 0.21 C ATOM 648 C ILE A 47 -4.018 6.925 2.076 1.00 0.20 C ATOM 649 O ILE A 47 -3.841 6.103 1.173 1.00 0.21 O ATOM 650 CB ILE A 47 -3.734 6.158 4.450 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.097 4.795 4.169 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.401 6.179 5.817 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.047 4.408 5.189 1.00 0.23 C ATOM 0 H ILE A 47 -5.317 4.607 2.815 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.311 7.403 3.726 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.932 6.896 4.444 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.876 4.033 4.152 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.644 4.810 3.178 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.674 5.904 6.581 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.781 7.180 6.021 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.227 5.468 5.830 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.634 3.432 4.934 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.249 5.151 5.190 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.501 4.362 6.179 1.00 0.23 H new ATOM 665 N GLN A 48 -3.628 8.186 2.001 1.00 0.24 N ATOM 666 CA GLN A 48 -2.976 8.720 0.825 1.00 0.25 C ATOM 667 C GLN A 48 -1.542 8.224 0.779 1.00 0.22 C ATOM 668 O GLN A 48 -0.817 8.274 1.777 1.00 0.36 O ATOM 669 CB GLN A 48 -3.018 10.247 0.837 1.00 0.36 C ATOM 670 CG GLN A 48 -2.891 10.844 -0.549 1.00 0.47 C ATOM 671 CD GLN A 48 -4.224 11.047 -1.238 1.00 1.43 C ATOM 672 OE1 GLN A 48 -5.238 11.315 -0.597 1.00 2.38 O ATOM 673 NE2 GLN A 48 -4.228 10.921 -2.555 1.00 1.78 N ATOM 0 H GLN A 48 -3.755 8.864 2.753 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.502 8.378 -0.066 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.954 10.577 1.287 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -2.212 10.624 1.466 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.377 11.802 -0.479 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.268 10.192 -1.162 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -3.364 10.698 -3.049 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -5.095 11.047 -3.077 1.00 1.78 H new ATOM 682 N CYS A 49 -1.143 7.743 -0.376 1.00 0.26 N ATOM 683 CA CYS A 49 0.126 7.073 -0.519 1.00 0.25 C ATOM 684 C CYS A 49 0.937 7.704 -1.640 1.00 0.28 C ATOM 685 O CYS A 49 0.399 8.453 -2.456 1.00 0.32 O ATOM 686 CB CYS A 49 -0.123 5.599 -0.814 1.00 0.25 C ATOM 687 SG CYS A 49 1.188 4.491 -0.240 1.00 1.15 S ATOM 0 H CYS A 49 -1.686 7.805 -1.237 1.00 0.26 H new ATOM 0 HA CYS A 49 0.694 7.171 0.406 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.063 5.302 -0.349 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.245 5.472 -1.890 1.00 0.25 H new ATOM 692 N THR A 50 2.229 7.416 -1.663 1.00 0.28 N ATOM 693 CA THR A 50 3.107 7.914 -2.707 1.00 0.36 C ATOM 694 C THR A 50 4.378 7.086 -2.759 1.00 0.38 C ATOM 695 O THR A 50 5.033 6.860 -1.740 1.00 0.45 O ATOM 696 CB THR A 50 3.440 9.414 -2.519 1.00 0.46 C ATOM 697 OG1 THR A 50 4.294 9.880 -3.572 1.00 0.60 O ATOM 698 CG2 THR A 50 4.102 9.668 -1.175 1.00 0.54 C ATOM 0 H THR A 50 2.694 6.836 -0.965 1.00 0.28 H new ATOM 0 HA THR A 50 2.580 7.819 -3.656 1.00 0.36 H new ATOM 0 HB THR A 50 2.499 9.964 -2.552 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.492 10.830 -3.437 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.323 10.730 -1.073 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.430 9.359 -0.374 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.028 9.097 -1.112 1.00 0.54 H new ATOM 706 N GLN A 51 4.710 6.602 -3.939 1.00 0.39 N ATOM 707 CA GLN A 51 5.853 5.737 -4.088 1.00 0.42 C ATOM 708 C GLN A 51 6.866 6.317 -5.060 1.00 0.42 C ATOM 709 O GLN A 51 6.517 6.748 -6.160 1.00 0.58 O ATOM 710 CB GLN A 51 5.401 4.359 -4.550 1.00 0.57 C ATOM 711 CG GLN A 51 6.504 3.320 -4.465 1.00 0.66 C ATOM 712 CD GLN A 51 7.075 3.199 -3.064 1.00 1.01 C ATOM 713 OE1 GLN A 51 6.376 3.425 -2.080 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.352 2.838 -2.965 1.00 0.74 N ATOM 0 H GLN A 51 4.204 6.795 -4.803 1.00 0.39 H new ATOM 0 HA GLN A 51 6.342 5.648 -3.118 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.556 4.036 -3.942 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.047 4.424 -5.579 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.114 2.352 -4.781 1.00 0.66 H new ATOM 0 HG3 GLN A 51 7.302 3.583 -5.159 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.898 2.659 -3.808 1.00 0.74 H new ATOM 0 HE22 GLN A 51 8.785 2.740 -2.046 1.00 0.74 H new ATOM 723 N ILE A 52 8.108 6.356 -4.620 1.00 0.43 N ATOM 724 CA ILE A 52 9.224 6.723 -5.470 1.00 0.50 C ATOM 725 C ILE A 52 9.502 5.600 -6.470 1.00 0.56 C ATOM 726 O ILE A 52 9.438 4.424 -6.106 1.00 0.65 O ATOM 727 CB ILE A 52 10.475 7.014 -4.602 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.292 8.348 -3.876 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.758 7.015 -5.428 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.448 8.717 -2.976 1.00 0.95 C ATOM 0 H ILE A 52 8.373 6.134 -3.660 1.00 0.43 H new ATOM 0 HA ILE A 52 8.976 7.627 -6.026 1.00 0.50 H new ATOM 0 HB ILE A 52 10.575 6.213 -3.869 1.00 0.63 H new ATOM 0 HG12 ILE A 52 10.153 9.137 -4.615 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.380 8.305 -3.281 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.609 7.223 -4.779 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.890 6.040 -5.897 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.694 7.783 -6.199 1.00 0.85 H new ATOM 0 HD11 ILE A 52 11.245 9.675 -2.497 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.575 7.949 -2.213 1.00 0.95 H new ATOM 0 HD13 ILE A 52 12.360 8.794 -3.568 1.00 0.95 H new ATOM 742 N PRO A 53 9.772 5.958 -7.747 1.00 0.66 N ATOM 743 CA PRO A 53 10.035 5.001 -8.832 1.00 0.80 C ATOM 744 C PRO A 53 10.959 3.871 -8.397 1.00 0.82 C ATOM 745 O PRO A 53 12.158 4.073 -8.198 1.00 0.87 O ATOM 746 CB PRO A 53 10.702 5.855 -9.925 1.00 0.95 C ATOM 747 CG PRO A 53 10.867 7.221 -9.339 1.00 0.85 C ATOM 748 CD PRO A 53 9.852 7.333 -8.239 1.00 0.70 C ATOM 0 HA PRO A 53 9.121 4.509 -9.165 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.666 5.436 -10.214 1.00 0.95 H new ATOM 0 HB3 PRO A 53 10.086 5.888 -10.824 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.877 7.359 -8.952 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.708 7.990 -10.095 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.171 8.026 -7.460 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.890 7.689 -8.608 1.00 0.70 H new ATOM 756 N LEU A 54 10.386 2.681 -8.276 1.00 0.90 N ATOM 757 CA LEU A 54 11.061 1.555 -7.656 1.00 0.96 C ATOM 758 C LEU A 54 12.209 1.017 -8.498 1.00 0.90 C ATOM 759 O LEU A 54 12.138 0.966 -9.730 1.00 1.03 O ATOM 760 CB LEU A 54 10.048 0.437 -7.350 1.00 1.27 C ATOM 761 CG LEU A 54 9.233 -0.094 -8.540 1.00 1.07 C ATOM 762 CD1 LEU A 54 9.973 -1.211 -9.265 1.00 1.67 C ATOM 763 CD2 LEU A 54 7.867 -0.577 -8.074 1.00 1.08 C ATOM 0 H LEU A 54 9.443 2.472 -8.605 1.00 0.90 H new ATOM 0 HA LEU A 54 11.500 1.917 -6.726 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.587 -0.399 -6.905 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.352 0.804 -6.596 1.00 1.27 H new ATOM 0 HG LEU A 54 9.095 0.727 -9.244 1.00 1.07 H new ATOM 0 HD11 LEU A 54 9.370 -1.564 -10.101 1.00 1.67 H new ATOM 0 HD12 LEU A 54 10.925 -0.834 -9.638 1.00 1.67 H new ATOM 0 HD13 LEU A 54 10.155 -2.035 -8.575 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.302 -0.950 -8.928 1.00 1.08 H new ATOM 0 HD22 LEU A 54 7.993 -1.378 -7.345 1.00 1.08 H new ATOM 0 HD23 LEU A 54 7.326 0.250 -7.614 1.00 1.08 H new ATOM 775 N LEU A 55 13.282 0.664 -7.814 1.00 0.88 N ATOM 776 CA LEU A 55 14.358 -0.110 -8.399 1.00 0.96 C ATOM 777 C LEU A 55 14.100 -1.584 -8.122 1.00 0.93 C ATOM 778 O LEU A 55 13.519 -1.933 -7.093 1.00 0.85 O ATOM 779 CB LEU A 55 15.703 0.307 -7.799 1.00 1.08 C ATOM 780 CG LEU A 55 16.072 1.782 -7.967 1.00 1.26 C ATOM 781 CD1 LEU A 55 17.411 2.074 -7.313 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.106 2.164 -9.438 1.00 1.58 C ATOM 0 H LEU A 55 13.431 0.907 -6.835 1.00 0.88 H new ATOM 0 HA LEU A 55 14.395 0.068 -9.474 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.694 0.072 -6.735 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.487 -0.299 -8.253 1.00 1.08 H new ATOM 0 HG LEU A 55 15.307 2.383 -7.474 1.00 1.26 H new ATOM 0 HD11 LEU A 55 17.657 3.128 -7.443 1.00 1.52 H new ATOM 0 HD12 LEU A 55 17.355 1.843 -6.249 1.00 1.52 H new ATOM 0 HD13 LEU A 55 18.184 1.461 -7.777 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.370 3.217 -9.534 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.847 1.555 -9.955 1.00 1.58 H new ATOM 0 HD23 LEU A 55 15.125 1.994 -9.881 1.00 1.58 H new ATOM 794 N ILE A 56 14.508 -2.447 -9.037 1.00 1.10 N ATOM 795 CA ILE A 56 14.266 -3.870 -8.892 1.00 1.16 C ATOM 796 C ILE A 56 15.152 -4.447 -7.796 1.00 1.07 C ATOM 797 O ILE A 56 16.331 -4.099 -7.680 1.00 1.14 O ATOM 798 CB ILE A 56 14.504 -4.638 -10.215 1.00 1.45 C ATOM 799 CG1 ILE A 56 13.488 -4.229 -11.296 1.00 1.68 C ATOM 800 CG2 ILE A 56 14.442 -6.144 -9.992 1.00 1.58 C ATOM 801 CD1 ILE A 56 13.650 -2.820 -11.831 1.00 2.11 C ATOM 0 H ILE A 56 15.008 -2.186 -9.887 1.00 1.10 H new ATOM 0 HA ILE A 56 13.218 -3.993 -8.619 1.00 1.16 H new ATOM 0 HB ILE A 56 15.502 -4.373 -10.564 1.00 1.45 H new ATOM 0 HG12 ILE A 56 13.566 -4.928 -12.129 1.00 1.68 H new ATOM 0 HG13 ILE A 56 12.483 -4.332 -10.886 1.00 1.68 H new ATOM 0 HG21 ILE A 56 14.612 -6.659 -10.937 1.00 1.58 H new ATOM 0 HG22 ILE A 56 15.209 -6.438 -9.275 1.00 1.58 H new ATOM 0 HG23 ILE A 56 13.460 -6.414 -9.604 1.00 1.58 H new ATOM 0 HD11 ILE A 56 12.888 -2.628 -12.587 1.00 2.11 H new ATOM 0 HD12 ILE A 56 13.540 -2.106 -11.015 1.00 2.11 H new ATOM 0 HD13 ILE A 56 14.639 -2.712 -12.277 1.00 2.11 H new ATOM 813 N GLY A 57 14.567 -5.315 -6.993 1.00 1.03 N ATOM 814 CA GLY A 57 15.277 -5.914 -5.880 1.00 1.00 C ATOM 815 C GLY A 57 15.425 -4.969 -4.703 1.00 0.86 C ATOM 816 O GLY A 57 16.096 -5.293 -3.722 1.00 0.90 O ATOM 0 H GLY A 57 13.599 -5.622 -7.091 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.747 -6.810 -5.557 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.265 -6.230 -6.213 1.00 1.00 H new ATOM 820 N ILE A 58 14.802 -3.802 -4.791 1.00 0.77 N ATOM 821 CA ILE A 58 14.917 -2.800 -3.742 1.00 0.66 C ATOM 822 C ILE A 58 13.781 -2.921 -2.732 1.00 0.61 C ATOM 823 O ILE A 58 12.699 -3.424 -3.036 1.00 0.69 O ATOM 824 CB ILE A 58 14.990 -1.365 -4.335 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.416 -0.817 -4.212 1.00 0.72 C ATOM 826 CG2 ILE A 58 13.996 -0.414 -3.676 1.00 0.60 C ATOM 827 CD1 ILE A 58 16.873 -0.623 -2.779 1.00 0.71 C ATOM 0 H ILE A 58 14.213 -3.527 -5.577 1.00 0.77 H new ATOM 0 HA ILE A 58 15.851 -2.987 -3.213 1.00 0.66 H new ATOM 0 HB ILE A 58 14.717 -1.433 -5.388 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.102 -1.499 -4.714 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.475 0.137 -4.735 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.086 0.575 -4.125 1.00 0.60 H new ATOM 0 HG22 ILE A 58 12.983 -0.788 -3.823 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.208 -0.349 -2.609 1.00 0.60 H new ATOM 0 HD11 ILE A 58 17.891 -0.233 -2.771 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.210 0.083 -2.278 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.847 -1.579 -2.256 1.00 0.71 H new ATOM 839 N ALA A 59 14.065 -2.461 -1.527 1.00 0.57 N ATOM 840 CA ALA A 59 13.132 -2.520 -0.420 1.00 0.59 C ATOM 841 C ALA A 59 12.254 -1.274 -0.378 1.00 0.49 C ATOM 842 O ALA A 59 12.745 -0.154 -0.504 1.00 0.50 O ATOM 843 CB ALA A 59 13.921 -2.644 0.865 1.00 0.68 C ATOM 0 H ALA A 59 14.959 -2.032 -1.289 1.00 0.57 H new ATOM 0 HA ALA A 59 12.477 -3.382 -0.545 1.00 0.59 H new ATOM 0 HB1 ALA A 59 13.235 -2.690 1.710 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.523 -3.553 0.836 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.575 -1.779 0.975 1.00 0.68 H new ATOM 849 N ILE A 60 10.957 -1.497 -0.179 1.00 0.46 N ATOM 850 CA ILE A 60 9.951 -0.431 -0.085 1.00 0.42 C ATOM 851 C ILE A 60 10.364 0.650 0.914 1.00 0.40 C ATOM 852 O ILE A 60 10.216 1.841 0.653 1.00 0.39 O ATOM 853 CB ILE A 60 8.591 -1.037 0.353 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.500 0.029 0.430 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.723 -1.753 1.693 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.050 0.526 -0.921 1.00 0.69 C ATOM 0 H ILE A 60 10.566 -2.433 -0.077 1.00 0.46 H new ATOM 0 HA ILE A 60 9.862 0.031 -1.068 1.00 0.42 H new ATOM 0 HB ILE A 60 8.299 -1.763 -0.406 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.641 -0.379 0.963 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.867 0.872 1.015 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.757 -2.170 1.980 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.454 -2.557 1.605 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.053 -1.045 2.453 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.274 1.281 -0.791 1.00 0.69 H new ATOM 0 HD12 ILE A 60 7.898 0.964 -1.448 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.652 -0.307 -1.501 1.00 0.69 H new ATOM 868 N GLU A 61 10.909 0.216 2.037 1.00 0.49 N ATOM 869 CA GLU A 61 11.258 1.103 3.131 1.00 0.60 C ATOM 870 C GLU A 61 12.514 1.910 2.824 1.00 0.58 C ATOM 871 O GLU A 61 12.692 3.017 3.327 1.00 0.71 O ATOM 872 CB GLU A 61 11.470 0.275 4.395 1.00 0.83 C ATOM 873 CG GLU A 61 12.337 -0.952 4.159 1.00 0.73 C ATOM 874 CD GLU A 61 12.936 -1.502 5.432 1.00 1.47 C ATOM 875 OE1 GLU A 61 12.348 -2.431 6.017 1.00 2.20 O ATOM 876 OE2 GLU A 61 14.011 -1.014 5.841 1.00 1.82 O ATOM 0 H GLU A 61 11.122 -0.765 2.216 1.00 0.49 H new ATOM 0 HA GLU A 61 10.441 1.810 3.275 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.933 0.899 5.159 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.502 -0.040 4.784 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.738 -1.727 3.681 1.00 0.73 H new ATOM 0 HG3 GLU A 61 13.139 -0.696 3.467 1.00 0.73 H new ATOM 883 N ASP A 62 13.381 1.354 1.992 1.00 0.54 N ATOM 884 CA ASP A 62 14.657 1.989 1.698 1.00 0.60 C ATOM 885 C ASP A 62 14.572 2.797 0.410 1.00 0.51 C ATOM 886 O ASP A 62 15.352 3.725 0.193 1.00 0.65 O ATOM 887 CB ASP A 62 15.759 0.936 1.597 1.00 0.75 C ATOM 888 CG ASP A 62 17.144 1.548 1.542 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.563 2.170 2.545 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.829 1.388 0.513 1.00 1.98 O ATOM 0 H ASP A 62 13.226 0.468 1.510 1.00 0.54 H new ATOM 0 HA ASP A 62 14.899 2.672 2.512 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.696 0.265 2.454 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.597 0.330 0.705 1.00 0.75 H new ATOM 895 N GLU A 63 13.609 2.448 -0.434 1.00 0.40 N ATOM 896 CA GLU A 63 13.375 3.168 -1.678 1.00 0.40 C ATOM 897 C GLU A 63 12.849 4.562 -1.383 1.00 0.34 C ATOM 898 O GLU A 63 13.185 5.534 -2.059 1.00 0.42 O ATOM 899 CB GLU A 63 12.348 2.424 -2.538 1.00 0.43 C ATOM 900 CG GLU A 63 12.155 3.028 -3.919 1.00 0.64 C ATOM 901 CD GLU A 63 13.410 2.985 -4.762 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.245 3.909 -4.649 1.00 2.09 O ATOM 903 OE2 GLU A 63 13.569 2.030 -5.542 1.00 1.68 O ATOM 0 H GLU A 63 12.974 1.665 -0.277 1.00 0.40 H new ATOM 0 HA GLU A 63 14.320 3.237 -2.216 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.662 1.386 -2.646 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.390 2.415 -2.018 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.358 2.493 -4.436 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.829 4.063 -3.815 1.00 0.64 H new ATOM 910 N CYS A 64 12.028 4.653 -0.355 1.00 0.29 N ATOM 911 CA CYS A 64 11.334 5.882 -0.048 1.00 0.32 C ATOM 912 C CYS A 64 11.733 6.385 1.336 1.00 0.40 C ATOM 913 O CYS A 64 12.518 5.738 2.032 1.00 0.60 O ATOM 914 CB CYS A 64 9.832 5.623 -0.104 1.00 0.33 C ATOM 915 SG CYS A 64 9.153 4.918 1.434 1.00 0.47 S ATOM 0 H CYS A 64 11.826 3.884 0.284 1.00 0.29 H new ATOM 0 HA CYS A 64 11.603 6.647 -0.776 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.319 6.559 -0.322 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.620 4.944 -0.930 1.00 0.33 H new ATOM 920 N LYS A 65 11.213 7.541 1.728 1.00 0.43 N ATOM 921 CA LYS A 65 11.445 8.057 3.068 1.00 0.51 C ATOM 922 C LYS A 65 10.108 8.354 3.748 1.00 0.45 C ATOM 923 O LYS A 65 9.935 9.372 4.422 1.00 0.60 O ATOM 924 CB LYS A 65 12.332 9.306 3.023 1.00 0.69 C ATOM 925 CG LYS A 65 13.004 9.626 4.349 1.00 1.41 C ATOM 926 CD LYS A 65 13.964 8.519 4.753 1.00 1.33 C ATOM 927 CE LYS A 65 14.558 8.757 6.128 1.00 1.77 C ATOM 928 NZ LYS A 65 15.480 7.662 6.531 1.00 2.32 N ATOM 0 H LYS A 65 10.630 8.136 1.139 1.00 0.43 H new ATOM 0 HA LYS A 65 11.970 7.301 3.652 1.00 0.51 H new ATOM 0 HB2 LYS A 65 13.099 9.169 2.261 1.00 0.69 H new ATOM 0 HB3 LYS A 65 11.727 10.160 2.717 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.544 10.570 4.269 1.00 1.41 H new ATOM 0 HG3 LYS A 65 12.247 9.756 5.122 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.440 7.563 4.745 1.00 1.33 H new ATOM 0 HD3 LYS A 65 14.766 8.449 4.019 1.00 1.33 H new ATOM 0 HE2 LYS A 65 15.096 9.705 6.132 1.00 1.77 H new ATOM 0 HE3 LYS A 65 13.755 8.844 6.860 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 15.865 7.862 7.476 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 14.961 6.761 6.552 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 16.260 7.596 5.847 1.00 2.32 H new ATOM 942 N ASN A 66 9.161 7.453 3.540 1.00 0.35 N ATOM 943 CA ASN A 66 7.849 7.533 4.171 1.00 0.30 C ATOM 944 C ASN A 66 7.561 6.218 4.880 1.00 0.29 C ATOM 945 O ASN A 66 8.470 5.407 5.067 1.00 0.41 O ATOM 946 CB ASN A 66 6.757 7.836 3.138 1.00 0.36 C ATOM 947 CG ASN A 66 6.758 9.283 2.682 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.122 10.141 3.296 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.454 9.563 1.592 1.00 1.02 N ATOM 0 H ASN A 66 9.278 6.645 2.929 1.00 0.35 H new ATOM 0 HA ASN A 66 7.851 8.348 4.895 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.893 7.188 2.272 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.783 7.596 3.565 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.477 10.517 1.232 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.968 8.825 1.111 1.00 1.02 H new ATOM 956 N THR A 67 6.314 5.984 5.262 1.00 0.28 N ATOM 957 CA THR A 67 5.985 4.779 5.994 1.00 0.27 C ATOM 958 C THR A 67 5.680 3.632 5.040 1.00 0.25 C ATOM 959 O THR A 67 4.829 3.747 4.161 1.00 0.26 O ATOM 960 CB THR A 67 4.792 4.992 6.941 1.00 0.29 C ATOM 961 OG1 THR A 67 4.979 6.196 7.696 1.00 0.34 O ATOM 962 CG2 THR A 67 4.663 3.810 7.891 1.00 0.31 C ATOM 0 H THR A 67 5.526 6.605 5.079 1.00 0.28 H new ATOM 0 HA THR A 67 6.858 4.525 6.596 1.00 0.27 H new ATOM 0 HB THR A 67 3.881 5.075 6.348 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.216 6.328 8.296 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.816 3.970 8.558 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.506 2.897 7.317 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.575 3.715 8.480 1.00 0.31 H new ATOM 970 N PRO A 68 6.376 2.509 5.212 1.00 0.28 N ATOM 971 CA PRO A 68 6.178 1.331 4.389 1.00 0.30 C ATOM 972 C PRO A 68 4.961 0.553 4.859 1.00 0.25 C ATOM 973 O PRO A 68 4.877 0.159 6.022 1.00 0.28 O ATOM 974 CB PRO A 68 7.462 0.530 4.606 1.00 0.38 C ATOM 975 CG PRO A 68 7.962 0.936 5.956 1.00 0.45 C ATOM 976 CD PRO A 68 7.381 2.293 6.262 1.00 0.38 C ATOM 0 HA PRO A 68 5.997 1.562 3.339 1.00 0.30 H new ATOM 0 HB2 PRO A 68 7.268 -0.542 4.565 1.00 0.38 H new ATOM 0 HB3 PRO A 68 8.198 0.750 3.832 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.661 0.210 6.711 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.051 0.973 5.967 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.930 2.317 7.254 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.148 3.067 6.242 1.00 0.38 H new ATOM 984 N THR A 69 3.999 0.355 3.981 1.00 0.23 N ATOM 985 CA THR A 69 2.770 -0.292 4.384 1.00 0.21 C ATOM 986 C THR A 69 2.398 -1.437 3.446 1.00 0.23 C ATOM 987 O THR A 69 2.767 -1.442 2.269 1.00 0.29 O ATOM 988 CB THR A 69 1.600 0.715 4.437 1.00 0.24 C ATOM 989 OG1 THR A 69 1.344 1.243 3.134 1.00 0.31 O ATOM 990 CG2 THR A 69 1.890 1.869 5.388 1.00 0.30 C ATOM 0 H THR A 69 4.043 0.628 2.999 1.00 0.23 H new ATOM 0 HA THR A 69 2.946 -0.697 5.381 1.00 0.21 H new ATOM 0 HB THR A 69 0.727 0.175 4.803 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.189 1.337 2.647 1.00 0.31 H new ATOM 0 HG21 THR A 69 1.043 2.555 5.397 1.00 0.30 H new ATOM 0 HG22 THR A 69 2.052 1.480 6.393 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.783 2.399 5.056 1.00 0.30 H new ATOM 998 N CYS A 70 1.697 -2.414 3.997 1.00 0.23 N ATOM 999 CA CYS A 70 1.099 -3.484 3.217 1.00 0.27 C ATOM 1000 C CYS A 70 -0.375 -3.178 3.000 1.00 0.22 C ATOM 1001 O CYS A 70 -1.195 -3.343 3.909 1.00 0.27 O ATOM 1002 CB CYS A 70 1.260 -4.828 3.937 1.00 0.38 C ATOM 1003 SG CYS A 70 0.278 -6.193 3.221 1.00 1.26 S ATOM 0 H CYS A 70 1.526 -2.487 5.000 1.00 0.23 H new ATOM 0 HA CYS A 70 1.604 -3.552 2.253 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.313 -5.109 3.924 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.976 -4.702 4.982 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.700 -2.696 1.815 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.073 -2.375 1.472 1.00 0.19 C ATOM 1010 C CYS A 71 -2.786 -3.610 0.979 1.00 0.21 C ATOM 1011 O CYS A 71 -2.264 -4.377 0.172 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.119 -1.283 0.403 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.219 0.233 0.855 1.00 0.29 S ATOM 0 H CYS A 71 -0.027 -2.517 1.069 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.575 -2.006 2.366 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.702 -1.678 -0.524 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.160 -1.029 0.202 1.00 0.22 H new ATOM 1018 N GLU A 72 -3.974 -3.807 1.505 1.00 0.22 N ATOM 1019 CA GLU A 72 -4.833 -4.882 1.075 1.00 0.24 C ATOM 1020 C GLU A 72 -5.214 -4.682 -0.385 1.00 0.25 C ATOM 1021 O GLU A 72 -5.217 -5.627 -1.174 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.070 -4.927 1.968 1.00 0.27 C ATOM 1023 CG GLU A 72 -5.794 -5.483 3.347 1.00 1.10 C ATOM 1024 CD GLU A 72 -7.053 -5.705 4.158 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -8.138 -5.839 3.560 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -6.962 -5.749 5.402 1.00 1.37 O ATOM 0 H GLU A 72 -4.370 -3.225 2.243 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.310 -5.835 1.160 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.476 -3.920 2.065 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.836 -5.535 1.486 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -5.259 -6.428 3.251 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -5.138 -4.798 3.884 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.481 -3.428 -0.736 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.874 -3.041 -2.088 1.00 0.24 C ATOM 1035 C ASP A 73 -5.477 -1.600 -2.323 1.00 0.22 C ATOM 1036 O ASP A 73 -5.120 -0.901 -1.381 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.375 -3.226 -2.296 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.743 -4.688 -2.435 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.575 -5.179 -1.646 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -7.167 -5.360 -3.314 1.00 1.03 O ATOM 0 H ASP A 73 -5.430 -2.644 -0.085 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.363 -3.682 -2.806 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.916 -2.793 -1.454 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.688 -2.685 -3.189 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.491 -1.157 -3.570 1.00 0.28 N ATOM 1046 CA VAL A 74 -5.131 0.218 -3.879 1.00 0.30 C ATOM 1047 C VAL A 74 -6.138 0.835 -4.845 1.00 0.43 C ATOM 1048 O VAL A 74 -6.893 0.127 -5.520 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.709 0.334 -4.491 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.670 -0.324 -3.597 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -3.654 -0.257 -5.893 1.00 1.07 C ATOM 0 H VAL A 74 -5.745 -1.724 -4.379 1.00 0.28 H new ATOM 0 HA VAL A 74 -5.141 0.759 -2.933 1.00 0.30 H new ATOM 0 HB VAL A 74 -3.476 1.396 -4.564 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.684 -0.227 -4.052 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.669 0.162 -2.621 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.911 -1.380 -3.476 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -2.644 -0.158 -6.290 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -3.927 -1.311 -5.854 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -4.352 0.275 -6.540 1.00 1.07 H new ATOM 1061 N GLU A 75 -6.153 2.153 -4.876 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.943 2.910 -5.825 1.00 0.46 C ATOM 1063 C GLU A 75 -6.024 3.936 -6.484 1.00 0.50 C ATOM 1064 O GLU A 75 -4.996 4.301 -5.899 1.00 0.45 O ATOM 1065 CB GLU A 75 -8.127 3.574 -5.111 1.00 0.54 C ATOM 1066 CG GLU A 75 -9.070 4.323 -6.031 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.304 4.828 -5.313 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -10.368 6.042 -5.014 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -11.204 4.013 -5.023 1.00 1.85 O ATOM 0 H GLU A 75 -5.611 2.734 -4.236 1.00 0.33 H new ATOM 0 HA GLU A 75 -7.362 2.261 -6.594 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.690 2.808 -4.578 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.743 4.266 -4.362 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.543 5.166 -6.477 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.372 3.667 -6.848 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.371 4.371 -7.697 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.494 5.228 -8.498 1.00 0.65 C ATOM 1078 C ASP A 76 -4.260 4.441 -8.922 1.00 0.67 C ATOM 1079 O ASP A 76 -4.303 3.211 -8.992 1.00 0.69 O ATOM 1080 CB ASP A 76 -5.083 6.493 -7.725 1.00 0.61 C ATOM 1081 CG ASP A 76 -6.135 7.580 -7.769 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -7.255 7.356 -7.274 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -5.839 8.677 -8.291 1.00 1.15 O ATOM 0 H ASP A 76 -7.257 4.143 -8.148 1.00 0.61 H new ATOM 0 HA ASP A 76 -6.043 5.549 -9.383 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.884 6.229 -6.686 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.152 6.879 -8.140 1.00 0.61 H new ATOM 1088 N ASP A 77 -3.168 5.135 -9.211 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.895 4.470 -9.499 1.00 0.77 C ATOM 1090 C ASP A 77 -1.291 3.902 -8.211 1.00 0.67 C ATOM 1091 O ASP A 77 -0.270 3.214 -8.227 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.919 5.454 -10.158 1.00 0.89 C ATOM 1093 CG ASP A 77 0.438 4.836 -10.451 1.00 1.36 C ATOM 1094 OD1 ASP A 77 0.543 4.034 -11.399 1.00 1.59 O ATOM 1095 OD2 ASP A 77 1.410 5.154 -9.732 1.00 2.12 O ATOM 0 H ASP A 77 -3.133 6.154 -9.253 1.00 0.70 H new ATOM 0 HA ASP A 77 -2.078 3.647 -10.190 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.354 5.821 -11.088 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.786 6.317 -9.506 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.962 4.158 -7.098 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.440 3.768 -5.807 1.00 0.44 C ATOM 1102 C GLY A 78 -1.269 4.960 -4.892 1.00 0.33 C ATOM 1103 O GLY A 78 -0.461 4.936 -3.965 1.00 0.35 O ATOM 0 H GLY A 78 -2.865 4.632 -7.068 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -2.114 3.047 -5.344 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.480 3.268 -5.938 1.00 0.44 H new ATOM 1107 N LEU A 79 -2.016 6.022 -5.176 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.023 7.206 -4.323 1.00 0.22 C ATOM 1109 C LEU A 79 -3.031 7.032 -3.205 1.00 0.19 C ATOM 1110 O LEU A 79 -3.029 7.770 -2.226 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.381 8.454 -5.127 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.475 8.747 -6.322 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.006 9.931 -7.111 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.052 9.011 -5.861 1.00 0.94 C ATOM 0 H LEU A 79 -2.625 6.087 -5.991 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.023 7.328 -3.906 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.405 8.353 -5.486 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.361 9.314 -4.458 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.468 7.872 -6.972 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.350 10.127 -7.959 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.009 9.706 -7.473 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.041 10.811 -6.468 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.578 9.218 -6.726 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.040 9.870 -5.190 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.329 8.135 -5.336 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.906 6.064 -3.380 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.905 5.740 -2.385 1.00 0.20 C ATOM 1128 C VAL A 80 -4.763 4.279 -2.003 1.00 0.20 C ATOM 1129 O VAL A 80 -4.984 3.392 -2.827 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.327 6.001 -2.920 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.379 5.645 -1.880 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.477 7.447 -3.368 1.00 0.33 C ATOM 0 H VAL A 80 -3.944 5.480 -4.216 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.751 6.375 -1.513 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.483 5.357 -3.786 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.372 5.839 -2.285 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.293 4.590 -1.622 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.227 6.251 -0.987 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.488 7.609 -3.742 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.292 8.111 -2.523 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.759 7.659 -4.160 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.361 4.024 -0.774 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.162 2.662 -0.349 1.00 0.21 C ATOM 1144 C GLY A 81 -5.245 2.193 0.589 1.00 0.20 C ATOM 1145 O GLY A 81 -5.661 2.923 1.491 1.00 0.26 O ATOM 0 H GLY A 81 -4.170 4.732 -0.065 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.134 2.011 -1.223 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.194 2.575 0.144 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.704 0.976 0.368 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.759 0.389 1.163 1.00 0.17 C ATOM 1151 C ILE A 82 -6.177 -0.546 2.211 1.00 0.17 C ATOM 1152 O ILE A 82 -5.470 -1.501 1.879 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.766 -0.389 0.274 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.809 0.554 -0.338 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.448 -1.499 1.060 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.236 1.587 -1.286 1.00 0.30 C ATOM 0 H ILE A 82 -5.353 0.367 -0.371 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.290 1.202 1.659 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.201 -0.844 -0.539 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.550 -0.041 -0.872 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.333 1.068 0.467 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.148 -2.027 0.412 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.697 -2.198 1.429 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -8.988 -1.069 1.903 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.041 2.212 -1.673 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.517 2.210 -0.754 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.737 1.084 -2.114 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.458 -0.238 3.473 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.103 -1.109 4.588 1.00 0.21 C ATOM 1170 C ASN A 83 -4.601 -1.343 4.640 1.00 0.22 C ATOM 1171 O ASN A 83 -4.133 -2.467 4.837 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.862 -2.436 4.479 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.351 -2.264 4.723 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.772 -1.355 5.438 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.161 -3.133 4.138 1.00 0.29 N ATOM 0 H ASN A 83 -6.936 0.619 3.751 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.392 -0.619 5.518 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.704 -2.863 3.489 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.456 -3.145 5.200 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.169 -3.061 4.274 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.777 -3.874 3.552 1.00 0.29 H new ATOM 1182 N CYS A 84 -3.852 -0.266 4.459 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.400 -0.326 4.458 1.00 0.23 C ATOM 1184 C CYS A 84 -1.860 -0.420 5.879 1.00 0.25 C ATOM 1185 O CYS A 84 -1.868 0.558 6.627 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.826 0.905 3.758 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.506 1.195 2.096 1.00 0.81 S ATOM 0 H CYS A 84 -4.232 0.669 4.310 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.094 -1.221 3.916 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.016 1.783 4.375 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.744 0.796 3.683 1.00 0.26 H new ATOM 1192 N THR A 85 -1.413 -1.606 6.251 1.00 0.25 N ATOM 1193 CA THR A 85 -0.822 -1.821 7.559 1.00 0.28 C ATOM 1194 C THR A 85 0.681 -1.563 7.505 1.00 0.24 C ATOM 1195 O THR A 85 1.382 -2.139 6.672 1.00 0.23 O ATOM 1196 CB THR A 85 -1.087 -3.255 8.060 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.499 -3.502 8.096 1.00 0.43 O ATOM 1198 CG2 THR A 85 -0.500 -3.463 9.448 1.00 0.44 C ATOM 0 H THR A 85 -1.449 -2.438 5.663 1.00 0.25 H new ATOM 0 HA THR A 85 -1.285 -1.123 8.256 1.00 0.28 H new ATOM 0 HB THR A 85 -0.608 -3.952 7.373 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.663 -4.415 8.413 1.00 0.43 H new ATOM 0 HG21 THR A 85 -0.700 -4.482 9.779 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.577 -3.297 9.416 1.00 0.44 H new ATOM 0 HG23 THR A 85 -0.955 -2.759 10.145 1.00 0.44 H new ATOM 1206 N PRO A 86 1.189 -0.678 8.376 1.00 0.26 N ATOM 1207 CA PRO A 86 2.613 -0.335 8.418 1.00 0.28 C ATOM 1208 C PRO A 86 3.472 -1.541 8.770 1.00 0.33 C ATOM 1209 O PRO A 86 3.282 -2.168 9.812 1.00 0.39 O ATOM 1210 CB PRO A 86 2.698 0.730 9.521 1.00 0.37 C ATOM 1211 CG PRO A 86 1.306 1.234 9.672 1.00 0.35 C ATOM 1212 CD PRO A 86 0.428 0.056 9.399 1.00 0.29 C ATOM 0 HA PRO A 86 2.982 0.014 7.453 1.00 0.28 H new ATOM 0 HB2 PRO A 86 3.068 0.304 10.454 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.381 1.533 9.244 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.137 1.627 10.675 1.00 0.35 H new ATOM 0 HG3 PRO A 86 1.104 2.046 8.973 1.00 0.35 H new ATOM 0 HD2 PRO A 86 0.266 -0.545 10.294 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.554 0.358 9.035 1.00 0.29 H new ATOM 1220 N ILE A 87 4.400 -1.873 7.890 1.00 0.37 N ATOM 1221 CA ILE A 87 5.278 -2.998 8.106 1.00 0.47 C ATOM 1222 C ILE A 87 6.558 -2.545 8.792 1.00 0.57 C ATOM 1223 O ILE A 87 7.039 -1.436 8.550 1.00 0.56 O ATOM 1224 CB ILE A 87 5.621 -3.712 6.785 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.929 -2.701 5.678 1.00 0.41 C ATOM 1226 CG2 ILE A 87 4.485 -4.632 6.373 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.476 -3.327 4.415 1.00 0.49 C ATOM 0 H ILE A 87 4.562 -1.373 7.016 1.00 0.37 H new ATOM 0 HA ILE A 87 4.753 -3.706 8.747 1.00 0.47 H new ATOM 0 HB ILE A 87 6.515 -4.314 6.944 1.00 0.47 H new ATOM 0 HG12 ILE A 87 5.019 -2.153 5.436 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.649 -1.974 6.053 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.741 -5.130 5.438 1.00 0.53 H new ATOM 0 HG22 ILE A 87 4.322 -5.379 7.149 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.575 -4.048 6.236 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.670 -2.548 3.677 1.00 0.49 H new ATOM 0 HD12 ILE A 87 7.404 -3.851 4.641 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.749 -4.033 4.015 1.00 0.49 H new ATOM 1239 N PRO A 88 7.112 -3.387 9.673 1.00 0.73 N ATOM 1240 CA PRO A 88 8.339 -3.078 10.408 1.00 0.86 C ATOM 1241 C PRO A 88 9.552 -3.008 9.492 1.00 0.92 C ATOM 1242 O PRO A 88 9.578 -3.636 8.430 1.00 0.96 O ATOM 1243 CB PRO A 88 8.483 -4.257 11.376 1.00 1.05 C ATOM 1244 CG PRO A 88 7.152 -4.909 11.404 1.00 1.04 C ATOM 1245 CD PRO A 88 6.596 -4.715 10.034 1.00 0.85 C ATOM 0 HA PRO A 88 8.284 -2.106 10.899 1.00 0.86 H new ATOM 0 HB2 PRO A 88 9.253 -4.951 11.038 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.774 -3.916 12.369 1.00 1.05 H new ATOM 0 HG2 PRO A 88 7.237 -5.968 11.649 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.508 -4.458 12.159 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.938 -5.486 9.343 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.506 -4.743 10.029 1.00 0.85 H new