USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 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 17 CYS SG : rot 180:sc= -0.732 USER MOD Set 1.2: A 20 CYS SG : rot 72:sc= 0.185 USER MOD Set 2.1: A 11 GLN : amide:sc= -0.488 X(o=-0.34,f=-0.29) USER MOD Set 2.2: A 45 THR OG1 : rot 82:sc= 0.152 USER MOD Single : A 3 SER OG : rot 19:sc= 0.475 USER MOD Single : A 5 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 172:sc= -0.481 (180deg=-0.526) USER MOD Single : A 13 SER OG : rot 9:sc= 0.672 USER MOD Single : A 15 MET CE :methyl 163:sc= 0 (180deg=-0.0996) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 2.1 (180deg=0.889) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 38 ASN : amide:sc= 0.136 X(o=0.14,f=-0.11) USER MOD Single : A 40 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.6) USER MOD Single : A 43 THR OG1 : rot -44:sc= 0.686 USER MOD Single : A 47 ASN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.00234 USER MOD Single : A 55 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00427) USER MOD Single : A 69 TYR OH : rot -30:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.234 K(o=0.23,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 -0.129 15.141 13.319 1.00 0.60 N ATOM 40 CA SER A 3 0.107 13.889 12.634 1.00 0.52 C ATOM 41 C SER A 3 1.597 13.780 12.311 1.00 0.49 C ATOM 42 O SER A 3 2.099 14.493 11.445 1.00 0.67 O ATOM 43 CB SER A 3 -0.751 13.849 11.362 1.00 0.59 C ATOM 44 OG SER A 3 -2.043 14.357 11.655 1.00 0.66 O ATOM 0 HA SER A 3 -0.172 13.041 13.259 1.00 0.52 H new ATOM 0 HB2 SER A 3 -0.284 14.441 10.575 1.00 0.59 H new ATOM 0 HB3 SER A 3 -0.825 12.827 10.990 1.00 0.59 H new ATOM 0 HG SER A 3 -2.007 14.888 12.478 1.00 0.66 H new ATOM 50 N GLU A 4 2.305 12.903 13.021 1.00 0.51 N ATOM 51 CA GLU A 4 3.608 12.439 12.578 1.00 0.50 C ATOM 52 C GLU A 4 3.407 11.544 11.357 1.00 0.57 C ATOM 53 O GLU A 4 2.283 11.140 11.078 1.00 0.84 O ATOM 54 CB GLU A 4 4.303 11.673 13.701 1.00 0.58 C ATOM 55 CG GLU A 4 5.223 12.524 14.555 1.00 0.68 C ATOM 56 CD GLU A 4 6.103 11.654 15.445 1.00 1.05 C ATOM 57 OE1 GLU A 4 6.996 10.990 14.877 1.00 2.02 O ATOM 58 OE2 GLU A 4 5.844 11.639 16.666 1.00 1.93 O ATOM 0 H GLU A 4 1.993 12.502 13.906 1.00 0.51 H new ATOM 0 HA GLU A 4 4.240 13.286 12.312 1.00 0.50 H new ATOM 0 HB2 GLU A 4 3.545 11.222 14.341 1.00 0.58 H new ATOM 0 HB3 GLU A 4 4.880 10.857 13.266 1.00 0.58 H new ATOM 0 HG2 GLU A 4 5.849 13.145 13.914 1.00 0.68 H new ATOM 0 HG3 GLU A 4 4.631 13.199 15.172 1.00 0.68 H new ATOM 65 N GLN A 5 4.498 11.202 10.667 1.00 0.48 N ATOM 66 CA GLN A 5 4.498 10.329 9.501 1.00 0.46 C ATOM 67 C GLN A 5 5.535 9.226 9.676 1.00 0.43 C ATOM 68 O GLN A 5 6.519 9.428 10.385 1.00 0.55 O ATOM 69 CB GLN A 5 4.827 11.135 8.247 1.00 0.48 C ATOM 70 CG GLN A 5 3.697 12.089 7.838 1.00 0.54 C ATOM 71 CD GLN A 5 3.127 11.705 6.481 1.00 0.47 C ATOM 72 OE1 GLN A 5 3.039 12.532 5.581 1.00 1.14 O ATOM 73 NE2 GLN A 5 2.805 10.427 6.301 1.00 0.47 N ATOM 0 H GLN A 5 5.429 11.537 10.915 1.00 0.48 H new ATOM 0 HA GLN A 5 3.509 9.883 9.397 1.00 0.46 H new ATOM 0 HB2 GLN A 5 5.737 11.710 8.419 1.00 0.48 H new ATOM 0 HB3 GLN A 5 5.033 10.450 7.425 1.00 0.48 H new ATOM 0 HG2 GLN A 5 2.907 12.066 8.588 1.00 0.54 H new ATOM 0 HG3 GLN A 5 4.074 13.111 7.803 1.00 0.54 H new ATOM 0 HE21 GLN A 5 2.891 9.766 7.073 1.00 0.47 H new ATOM 0 HE22 GLN A 5 2.472 10.108 5.391 1.00 0.47 H new ATOM 82 N LYS A 6 5.320 8.078 9.023 1.00 0.34 N ATOM 83 CA LYS A 6 6.307 7.018 8.882 1.00 0.34 C ATOM 84 C LYS A 6 6.143 6.328 7.528 1.00 0.30 C ATOM 85 O LYS A 6 5.102 6.451 6.875 1.00 0.29 O ATOM 86 CB LYS A 6 6.201 6.001 10.027 1.00 0.40 C ATOM 87 CG LYS A 6 6.589 6.628 11.369 1.00 0.91 C ATOM 88 CD LYS A 6 6.726 5.552 12.448 1.00 1.44 C ATOM 89 CE LYS A 6 6.855 6.225 13.821 1.00 2.64 C ATOM 90 NZ LYS A 6 7.193 5.259 14.884 1.00 3.60 N ATOM 0 H LYS A 6 4.432 7.862 8.570 1.00 0.34 H new ATOM 0 HA LYS A 6 7.300 7.466 8.932 1.00 0.34 H new ATOM 0 HB2 LYS A 6 5.182 5.619 10.083 1.00 0.40 H new ATOM 0 HB3 LYS A 6 6.849 5.149 9.821 1.00 0.40 H new ATOM 0 HG2 LYS A 6 7.530 7.168 11.265 1.00 0.91 H new ATOM 0 HG3 LYS A 6 5.835 7.356 11.668 1.00 0.91 H new ATOM 0 HD2 LYS A 6 5.858 4.893 12.433 1.00 1.44 H new ATOM 0 HD3 LYS A 6 7.600 4.932 12.251 1.00 1.44 H new ATOM 0 HE2 LYS A 6 7.624 6.996 13.775 1.00 2.64 H new ATOM 0 HE3 LYS A 6 5.918 6.723 14.069 1.00 2.64 H new ATOM 0 HZ1 LYS A 6 7.270 5.757 15.794 1.00 3.60 H new ATOM 0 HZ2 LYS A 6 6.447 4.537 14.947 1.00 3.60 H new ATOM 0 HZ3 LYS A 6 8.100 4.802 14.662 1.00 3.60 H new ATOM 104 N GLU A 7 7.191 5.603 7.136 1.00 0.35 N ATOM 105 CA GLU A 7 7.438 5.032 5.836 1.00 0.30 C ATOM 106 C GLU A 7 7.570 3.537 6.051 1.00 0.36 C ATOM 107 O GLU A 7 8.655 3.007 6.292 1.00 0.66 O ATOM 108 CB GLU A 7 8.741 5.586 5.246 1.00 0.37 C ATOM 109 CG GLU A 7 8.984 7.081 5.505 1.00 0.44 C ATOM 110 CD GLU A 7 9.510 7.402 6.908 1.00 0.70 C ATOM 111 OE1 GLU A 7 9.570 6.474 7.749 1.00 0.80 O ATOM 112 OE2 GLU A 7 9.817 8.590 7.124 1.00 1.62 O ATOM 0 H GLU A 7 7.947 5.389 7.786 1.00 0.35 H new ATOM 0 HA GLU A 7 6.633 5.273 5.142 1.00 0.30 H new ATOM 0 HB2 GLU A 7 9.578 5.020 5.656 1.00 0.37 H new ATOM 0 HB3 GLU A 7 8.737 5.415 4.170 1.00 0.37 H new ATOM 0 HG2 GLU A 7 9.696 7.454 4.769 1.00 0.44 H new ATOM 0 HG3 GLU A 7 8.050 7.621 5.348 1.00 0.44 H new ATOM 119 N ILE A 8 6.450 2.840 6.010 1.00 0.26 N ATOM 120 CA ILE A 8 6.465 1.431 6.263 1.00 0.28 C ATOM 121 C ILE A 8 6.855 0.772 4.939 1.00 0.25 C ATOM 122 O ILE A 8 6.794 1.397 3.878 1.00 0.27 O ATOM 123 CB ILE A 8 5.114 1.021 6.838 1.00 0.40 C ATOM 124 CG1 ILE A 8 4.829 1.570 8.249 1.00 1.41 C ATOM 125 CG2 ILE A 8 5.027 -0.469 7.008 1.00 0.85 C ATOM 126 CD1 ILE A 8 4.580 3.063 8.267 1.00 2.07 C ATOM 0 H ILE A 8 5.531 3.232 5.805 1.00 0.26 H new ATOM 0 HA ILE A 8 7.188 1.110 7.013 1.00 0.28 H new ATOM 0 HB ILE A 8 4.403 1.426 6.118 1.00 0.40 H new ATOM 0 HG12 ILE A 8 3.960 1.058 8.663 1.00 1.41 H new ATOM 0 HG13 ILE A 8 5.674 1.341 8.899 1.00 1.41 H new ATOM 0 HG21 ILE A 8 4.053 -0.732 7.420 1.00 0.85 H new ATOM 0 HG22 ILE A 8 5.155 -0.954 6.040 1.00 0.85 H new ATOM 0 HG23 ILE A 8 5.810 -0.804 7.688 1.00 0.85 H new ATOM 0 HD11 ILE A 8 4.386 3.387 9.289 1.00 2.07 H new ATOM 0 HD12 ILE A 8 5.457 3.583 7.882 1.00 2.07 H new ATOM 0 HD13 ILE A 8 3.717 3.296 7.642 1.00 2.07 H new ATOM 138 N ALA A 9 7.295 -0.478 5.027 1.00 0.27 N ATOM 139 CA ALA A 9 7.690 -1.323 3.914 1.00 0.30 C ATOM 140 C ALA A 9 6.925 -2.631 4.068 1.00 0.45 C ATOM 141 O ALA A 9 6.839 -3.138 5.186 1.00 0.64 O ATOM 142 CB ALA A 9 9.200 -1.573 3.952 1.00 0.36 C ATOM 0 H ALA A 9 7.390 -0.951 5.926 1.00 0.27 H new ATOM 0 HA ALA A 9 7.463 -0.851 2.958 1.00 0.30 H new ATOM 0 HB1 ALA A 9 9.485 -2.208 3.113 1.00 0.36 H new ATOM 0 HB2 ALA A 9 9.728 -0.622 3.883 1.00 0.36 H new ATOM 0 HB3 ALA A 9 9.463 -2.068 4.887 1.00 0.36 H new ATOM 148 N MET A 10 6.350 -3.158 2.987 1.00 0.42 N ATOM 149 CA MET A 10 5.693 -4.458 3.004 1.00 0.50 C ATOM 150 C MET A 10 5.998 -5.201 1.703 1.00 0.31 C ATOM 151 O MET A 10 6.566 -4.628 0.774 1.00 0.22 O ATOM 152 CB MET A 10 4.178 -4.316 3.205 1.00 0.78 C ATOM 153 CG MET A 10 3.756 -3.421 4.371 1.00 1.11 C ATOM 154 SD MET A 10 1.963 -3.390 4.616 1.00 1.93 S ATOM 155 CE MET A 10 1.856 -2.179 5.943 1.00 2.33 C ATOM 0 H MET A 10 6.328 -2.694 2.079 1.00 0.42 H new ATOM 0 HA MET A 10 6.080 -5.032 3.846 1.00 0.50 H new ATOM 0 HB2 MET A 10 3.742 -3.920 2.288 1.00 0.78 H new ATOM 0 HB3 MET A 10 3.753 -5.308 3.358 1.00 0.78 H new ATOM 0 HG2 MET A 10 4.237 -3.771 5.284 1.00 1.11 H new ATOM 0 HG3 MET A 10 4.111 -2.406 4.192 1.00 1.11 H new ATOM 0 HE1 MET A 10 0.811 -1.930 6.125 1.00 2.33 H new ATOM 0 HE2 MET A 10 2.293 -2.594 6.851 1.00 2.33 H new ATOM 0 HE3 MET A 10 2.399 -1.278 5.658 1.00 2.33 H new ATOM 165 N GLN A 11 5.600 -6.470 1.647 1.00 0.36 N ATOM 166 CA GLN A 11 5.719 -7.345 0.495 1.00 0.29 C ATOM 167 C GLN A 11 4.391 -7.343 -0.258 1.00 0.27 C ATOM 168 O GLN A 11 3.342 -7.371 0.370 1.00 0.43 O ATOM 169 CB GLN A 11 6.040 -8.762 1.005 1.00 0.43 C ATOM 170 CG GLN A 11 7.519 -8.941 1.365 1.00 0.89 C ATOM 171 CD GLN A 11 8.405 -8.634 0.173 1.00 1.33 C ATOM 172 OE1 GLN A 11 9.390 -7.914 0.288 1.00 2.49 O ATOM 173 NE2 GLN A 11 7.997 -9.110 -0.997 1.00 0.98 N ATOM 0 H GLN A 11 5.165 -6.933 2.445 1.00 0.36 H new ATOM 0 HA GLN A 11 6.509 -7.009 -0.176 1.00 0.29 H new ATOM 0 HB2 GLN A 11 5.429 -8.975 1.882 1.00 0.43 H new ATOM 0 HB3 GLN A 11 5.766 -9.489 0.241 1.00 0.43 H new ATOM 0 HG2 GLN A 11 7.778 -8.284 2.195 1.00 0.89 H new ATOM 0 HG3 GLN A 11 7.695 -9.963 1.701 1.00 0.89 H new ATOM 0 HE21 GLN A 11 7.171 -9.706 -1.045 1.00 0.98 H new ATOM 0 HE22 GLN A 11 8.510 -8.880 -1.848 1.00 0.98 H new ATOM 182 N VAL A 12 4.409 -7.319 -1.590 1.00 0.51 N ATOM 183 CA VAL A 12 3.187 -7.402 -2.389 1.00 0.51 C ATOM 184 C VAL A 12 2.923 -8.870 -2.741 1.00 0.43 C ATOM 185 O VAL A 12 3.852 -9.677 -2.766 1.00 0.48 O ATOM 186 CB VAL A 12 3.333 -6.504 -3.628 1.00 0.60 C ATOM 187 CG1 VAL A 12 2.088 -6.566 -4.520 1.00 1.30 C ATOM 188 CG2 VAL A 12 3.538 -5.049 -3.187 1.00 1.19 C ATOM 0 H VAL A 12 5.263 -7.242 -2.142 1.00 0.51 H new ATOM 0 HA VAL A 12 2.323 -7.041 -1.831 1.00 0.51 H new ATOM 0 HB VAL A 12 4.191 -6.863 -4.196 1.00 0.60 H new ATOM 0 HG11 VAL A 12 2.228 -5.919 -5.386 1.00 1.30 H new ATOM 0 HG12 VAL A 12 1.931 -7.591 -4.855 1.00 1.30 H new ATOM 0 HG13 VAL A 12 1.218 -6.232 -3.954 1.00 1.30 H new ATOM 0 HG21 VAL A 12 3.641 -4.413 -4.066 1.00 1.19 H new ATOM 0 HG22 VAL A 12 2.679 -4.722 -2.602 1.00 1.19 H new ATOM 0 HG23 VAL A 12 4.440 -4.977 -2.579 1.00 1.19 H new ATOM 198 N SER A 13 1.664 -9.246 -2.981 1.00 0.43 N ATOM 199 CA SER A 13 1.285 -10.566 -3.463 1.00 0.43 C ATOM 200 C SER A 13 0.000 -10.453 -4.287 1.00 0.45 C ATOM 201 O SER A 13 -0.684 -9.432 -4.245 1.00 0.54 O ATOM 202 CB SER A 13 1.106 -11.511 -2.269 1.00 0.63 C ATOM 203 OG SER A 13 2.352 -11.755 -1.645 1.00 1.20 O ATOM 0 H SER A 13 0.867 -8.625 -2.841 1.00 0.43 H new ATOM 0 HA SER A 13 2.066 -10.975 -4.104 1.00 0.43 H new ATOM 0 HB2 SER A 13 0.412 -11.074 -1.551 1.00 0.63 H new ATOM 0 HB3 SER A 13 0.669 -12.452 -2.603 1.00 0.63 H new ATOM 0 HG SER A 13 3.032 -11.162 -2.029 1.00 1.20 H new ATOM 209 N GLY A 14 -0.318 -11.508 -5.045 1.00 0.56 N ATOM 210 CA GLY A 14 -1.494 -11.540 -5.905 1.00 0.70 C ATOM 211 C GLY A 14 -1.430 -10.428 -6.951 1.00 0.78 C ATOM 212 O GLY A 14 -2.285 -9.545 -6.972 1.00 1.57 O ATOM 0 H GLY A 14 0.238 -12.363 -5.076 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.562 -12.508 -6.401 1.00 0.70 H new ATOM 0 HA3 GLY A 14 -2.395 -11.427 -5.302 1.00 0.70 H new ATOM 216 N MET A 15 -0.407 -10.475 -7.812 1.00 0.80 N ATOM 217 CA MET A 15 -0.132 -9.443 -8.801 1.00 0.79 C ATOM 218 C MET A 15 0.200 -10.080 -10.147 1.00 0.86 C ATOM 219 O MET A 15 0.633 -11.230 -10.199 1.00 0.99 O ATOM 220 CB MET A 15 0.998 -8.535 -8.287 1.00 0.77 C ATOM 221 CG MET A 15 2.391 -9.178 -8.248 1.00 0.78 C ATOM 222 SD MET A 15 3.307 -9.122 -9.811 1.00 1.43 S ATOM 223 CE MET A 15 4.816 -9.979 -9.318 1.00 1.75 C ATOM 0 H MET A 15 0.260 -11.246 -7.836 1.00 0.80 H new ATOM 0 HA MET A 15 -1.015 -8.823 -8.953 1.00 0.79 H new ATOM 0 HB2 MET A 15 1.043 -7.647 -8.918 1.00 0.77 H new ATOM 0 HB3 MET A 15 0.743 -8.199 -7.282 1.00 0.77 H new ATOM 0 HG2 MET A 15 2.983 -8.680 -7.480 1.00 0.78 H new ATOM 0 HG3 MET A 15 2.285 -10.219 -7.944 1.00 0.78 H new ATOM 0 HE1 MET A 15 5.358 -10.301 -10.207 1.00 1.75 H new ATOM 0 HE2 MET A 15 5.443 -9.305 -8.735 1.00 1.75 H new ATOM 0 HE3 MET A 15 4.559 -10.849 -8.714 1.00 1.75 H new ATOM 233 N THR A 16 -0.004 -9.318 -11.224 1.00 0.91 N ATOM 234 CA THR A 16 0.468 -9.621 -12.569 1.00 1.04 C ATOM 235 C THR A 16 1.656 -8.724 -12.914 1.00 0.93 C ATOM 236 O THR A 16 2.708 -9.237 -13.292 1.00 1.30 O ATOM 237 CB THR A 16 -0.669 -9.438 -13.586 1.00 1.64 C ATOM 238 OG1 THR A 16 -1.575 -8.459 -13.110 1.00 1.89 O ATOM 239 CG2 THR A 16 -1.420 -10.753 -13.813 1.00 2.36 C ATOM 0 H THR A 16 -0.522 -8.441 -11.177 1.00 0.91 H new ATOM 0 HA THR A 16 0.794 -10.660 -12.609 1.00 1.04 H new ATOM 0 HB THR A 16 -0.234 -9.119 -14.533 1.00 1.64 H new ATOM 0 HG1 THR A 16 -2.300 -8.341 -13.759 1.00 1.89 H new ATOM 0 HG21 THR A 16 -2.219 -10.595 -14.537 1.00 2.36 H new ATOM 0 HG22 THR A 16 -0.729 -11.506 -14.193 1.00 2.36 H new ATOM 0 HG23 THR A 16 -1.847 -11.096 -12.870 1.00 2.36 H new ATOM 247 N CYS A 17 1.487 -7.399 -12.823 1.00 1.01 N ATOM 248 CA CYS A 17 2.490 -6.446 -13.268 1.00 1.56 C ATOM 249 C CYS A 17 2.621 -5.266 -12.308 1.00 1.55 C ATOM 250 O CYS A 17 1.700 -4.930 -11.557 1.00 2.32 O ATOM 251 CB CYS A 17 2.155 -5.987 -14.693 1.00 1.87 C ATOM 252 SG CYS A 17 0.715 -4.877 -14.723 1.00 2.00 S ATOM 0 H CYS A 17 0.648 -6.966 -12.437 1.00 1.01 H new ATOM 0 HA CYS A 17 3.463 -6.938 -13.275 1.00 1.56 H new ATOM 0 HB2 CYS A 17 3.017 -5.476 -15.123 1.00 1.87 H new ATOM 0 HB3 CYS A 17 1.956 -6.858 -15.318 1.00 1.87 H new ATOM 0 HG CYS A 17 0.472 -4.514 -15.948 1.00 2.00 H new ATOM 257 N ALA A 18 3.767 -4.586 -12.389 1.00 1.47 N ATOM 258 CA ALA A 18 4.105 -3.422 -11.583 1.00 1.50 C ATOM 259 C ALA A 18 3.372 -2.159 -12.064 1.00 1.26 C ATOM 260 O ALA A 18 3.958 -1.078 -12.083 1.00 1.94 O ATOM 261 CB ALA A 18 5.626 -3.232 -11.634 1.00 2.01 C ATOM 0 H ALA A 18 4.507 -4.844 -13.042 1.00 1.47 H new ATOM 0 HA ALA A 18 3.782 -3.588 -10.555 1.00 1.50 H new ATOM 0 HB1 ALA A 18 5.904 -2.364 -11.036 1.00 2.01 H new ATOM 0 HB2 ALA A 18 6.117 -4.120 -11.235 1.00 2.01 H new ATOM 0 HB3 ALA A 18 5.939 -3.077 -12.667 1.00 2.01 H new ATOM 267 N ALA A 19 2.098 -2.286 -12.447 1.00 0.78 N ATOM 268 CA ALA A 19 1.256 -1.185 -12.901 1.00 0.60 C ATOM 269 C ALA A 19 -0.047 -1.212 -12.112 1.00 0.46 C ATOM 270 O ALA A 19 -0.392 -0.232 -11.454 1.00 0.53 O ATOM 271 CB ALA A 19 1.018 -1.265 -14.410 1.00 0.63 C ATOM 0 H ALA A 19 1.614 -3.184 -12.448 1.00 0.78 H new ATOM 0 HA ALA A 19 1.756 -0.234 -12.720 1.00 0.60 H new ATOM 0 HB1 ALA A 19 0.387 -0.433 -14.724 1.00 0.63 H new ATOM 0 HB2 ALA A 19 1.973 -1.213 -14.932 1.00 0.63 H new ATOM 0 HB3 ALA A 19 0.523 -2.206 -14.651 1.00 0.63 H new ATOM 277 N CYS A 20 -0.746 -2.347 -12.092 1.00 0.40 N ATOM 278 CA CYS A 20 -1.888 -2.502 -11.200 1.00 0.36 C ATOM 279 C CYS A 20 -1.440 -2.306 -9.748 1.00 0.30 C ATOM 280 O CYS A 20 -2.120 -1.663 -8.948 1.00 0.32 O ATOM 281 CB CYS A 20 -2.539 -3.877 -11.389 1.00 0.43 C ATOM 282 SG CYS A 20 -2.816 -4.254 -13.140 1.00 1.20 S ATOM 0 H CYS A 20 -0.544 -3.159 -12.675 1.00 0.40 H new ATOM 0 HA CYS A 20 -2.633 -1.744 -11.443 1.00 0.36 H new ATOM 0 HB2 CYS A 20 -1.903 -4.644 -10.948 1.00 0.43 H new ATOM 0 HB3 CYS A 20 -3.489 -3.906 -10.856 1.00 0.43 H new ATOM 0 HG CYS A 20 -1.676 -4.490 -13.719 1.00 1.20 H new ATOM 287 N ALA A 21 -0.245 -2.806 -9.431 1.00 0.30 N ATOM 288 CA ALA A 21 0.394 -2.571 -8.148 1.00 0.30 C ATOM 289 C ALA A 21 0.515 -1.070 -7.828 1.00 0.28 C ATOM 290 O ALA A 21 0.559 -0.683 -6.669 1.00 0.30 O ATOM 291 CB ALA A 21 1.753 -3.276 -8.141 1.00 0.41 C ATOM 0 H ALA A 21 0.304 -3.387 -10.064 1.00 0.30 H new ATOM 0 HA ALA A 21 -0.228 -2.988 -7.356 1.00 0.30 H new ATOM 0 HB1 ALA A 21 2.245 -3.108 -7.183 1.00 0.41 H new ATOM 0 HB2 ALA A 21 1.609 -4.346 -8.292 1.00 0.41 H new ATOM 0 HB3 ALA A 21 2.374 -2.877 -8.943 1.00 0.41 H new ATOM 297 N ALA A 22 0.573 -0.188 -8.832 1.00 0.28 N ATOM 298 CA ALA A 22 0.523 1.247 -8.594 1.00 0.29 C ATOM 299 C ALA A 22 -0.887 1.648 -8.177 1.00 0.28 C ATOM 300 O ALA A 22 -1.068 2.388 -7.211 1.00 0.28 O ATOM 301 CB ALA A 22 0.953 2.010 -9.847 1.00 0.34 C ATOM 0 H ALA A 22 0.655 -0.449 -9.815 1.00 0.28 H new ATOM 0 HA ALA A 22 1.214 1.501 -7.790 1.00 0.29 H new ATOM 0 HB1 ALA A 22 0.910 3.082 -9.653 1.00 0.34 H new ATOM 0 HB2 ALA A 22 1.972 1.730 -10.112 1.00 0.34 H new ATOM 0 HB3 ALA A 22 0.283 1.763 -10.671 1.00 0.34 H new ATOM 307 N ARG A 23 -1.887 1.192 -8.939 1.00 0.30 N ATOM 308 CA ARG A 23 -3.279 1.559 -8.724 1.00 0.31 C ATOM 309 C ARG A 23 -3.665 1.359 -7.265 1.00 0.28 C ATOM 310 O ARG A 23 -4.278 2.249 -6.676 1.00 0.27 O ATOM 311 CB ARG A 23 -4.219 0.759 -9.638 1.00 0.39 C ATOM 312 CG ARG A 23 -4.063 1.113 -11.125 1.00 0.63 C ATOM 313 CD ARG A 23 -4.713 2.458 -11.480 1.00 1.72 C ATOM 314 NE ARG A 23 -6.162 2.433 -11.218 1.00 2.62 N ATOM 315 CZ ARG A 23 -6.968 3.506 -11.169 1.00 4.04 C ATOM 316 NH1 ARG A 23 -6.474 4.724 -11.413 1.00 4.94 N ATOM 317 NH2 ARG A 23 -8.266 3.353 -10.877 1.00 5.08 N ATOM 0 H ARG A 23 -1.746 0.556 -9.724 1.00 0.30 H new ATOM 0 HA ARG A 23 -3.385 2.614 -8.976 1.00 0.31 H new ATOM 0 HB2 ARG A 23 -4.028 -0.306 -9.503 1.00 0.39 H new ATOM 0 HB3 ARG A 23 -5.250 0.939 -9.335 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -3.003 1.147 -11.378 1.00 0.63 H new ATOM 0 HG3 ARG A 23 -4.510 0.326 -11.732 1.00 0.63 H new ATOM 0 HD2 ARG A 23 -4.249 3.254 -10.898 1.00 1.72 H new ATOM 0 HD3 ARG A 23 -4.534 2.685 -12.531 1.00 1.72 H new ATOM 0 HE ARG A 23 -6.591 1.521 -11.060 1.00 2.62 H new ATOM 0 HH11 ARG A 23 -5.485 4.838 -11.636 1.00 4.94 H new ATOM 0 HH12 ARG A 23 -7.086 5.539 -11.376 1.00 4.94 H new ATOM 0 HH21 ARG A 23 -8.641 2.423 -10.692 1.00 5.08 H new ATOM 0 HH22 ARG A 23 -8.880 4.167 -10.839 1.00 5.08 H new ATOM 331 N ILE A 24 -3.297 0.215 -6.680 1.00 0.30 N ATOM 332 CA ILE A 24 -3.637 -0.039 -5.287 1.00 0.31 C ATOM 333 C ILE A 24 -3.048 1.037 -4.372 1.00 0.28 C ATOM 334 O ILE A 24 -3.797 1.687 -3.649 1.00 0.31 O ATOM 335 CB ILE A 24 -3.363 -1.484 -4.851 1.00 0.35 C ATOM 336 CG1 ILE A 24 -1.872 -1.718 -4.646 1.00 0.37 C ATOM 337 CG2 ILE A 24 -3.982 -2.449 -5.865 1.00 0.46 C ATOM 338 CD1 ILE A 24 -1.443 -3.177 -4.528 1.00 0.39 C ATOM 0 H ILE A 24 -2.776 -0.531 -7.141 1.00 0.30 H new ATOM 0 HA ILE A 24 -4.719 0.048 -5.186 1.00 0.31 H new ATOM 0 HB ILE A 24 -3.833 -1.672 -3.886 1.00 0.35 H new ATOM 0 HG12 ILE A 24 -1.334 -1.266 -5.479 1.00 0.37 H new ATOM 0 HG13 ILE A 24 -1.561 -1.193 -3.743 1.00 0.37 H new ATOM 0 HG21 ILE A 24 -3.788 -3.476 -5.556 1.00 0.46 H new ATOM 0 HG22 ILE A 24 -5.058 -2.283 -5.915 1.00 0.46 H new ATOM 0 HG23 ILE A 24 -3.542 -2.276 -6.847 1.00 0.46 H new ATOM 0 HD11 ILE A 24 -0.364 -3.228 -4.385 1.00 0.39 H new ATOM 0 HD12 ILE A 24 -1.945 -3.636 -3.676 1.00 0.39 H new ATOM 0 HD13 ILE A 24 -1.714 -3.711 -5.439 1.00 0.39 H new ATOM 350 N GLU A 25 -1.740 1.288 -4.455 1.00 0.27 N ATOM 351 CA GLU A 25 -1.075 2.327 -3.682 1.00 0.26 C ATOM 352 C GLU A 25 -1.736 3.687 -3.880 1.00 0.24 C ATOM 353 O GLU A 25 -1.948 4.405 -2.909 1.00 0.26 O ATOM 354 CB GLU A 25 0.423 2.376 -4.023 1.00 0.29 C ATOM 355 CG GLU A 25 1.244 1.548 -3.028 1.00 0.35 C ATOM 356 CD GLU A 25 0.698 0.140 -2.845 1.00 1.18 C ATOM 357 OE1 GLU A 25 1.085 -0.727 -3.654 1.00 2.30 O ATOM 358 OE2 GLU A 25 -0.081 -0.046 -1.885 1.00 2.15 O ATOM 0 H GLU A 25 -1.111 0.769 -5.067 1.00 0.27 H new ATOM 0 HA GLU A 25 -1.176 2.076 -2.626 1.00 0.26 H new ATOM 0 HB2 GLU A 25 0.582 1.998 -5.033 1.00 0.29 H new ATOM 0 HB3 GLU A 25 0.768 3.410 -4.012 1.00 0.29 H new ATOM 0 HG2 GLU A 25 2.276 1.491 -3.374 1.00 0.35 H new ATOM 0 HG3 GLU A 25 1.258 2.056 -2.064 1.00 0.35 H new ATOM 365 N LYS A 26 -2.061 4.070 -5.114 1.00 0.25 N ATOM 366 CA LYS A 26 -2.616 5.398 -5.366 1.00 0.29 C ATOM 367 C LYS A 26 -4.042 5.501 -4.816 1.00 0.30 C ATOM 368 O LYS A 26 -4.388 6.487 -4.168 1.00 0.40 O ATOM 369 CB LYS A 26 -2.531 5.775 -6.852 1.00 0.35 C ATOM 370 CG LYS A 26 -1.113 5.713 -7.451 1.00 0.55 C ATOM 371 CD LYS A 26 -0.064 6.569 -6.720 1.00 1.12 C ATOM 372 CE LYS A 26 1.362 6.294 -7.223 1.00 0.71 C ATOM 373 NZ LYS A 26 1.554 6.644 -8.646 1.00 2.13 N ATOM 0 H LYS A 26 -1.951 3.488 -5.945 1.00 0.25 H new ATOM 0 HA LYS A 26 -2.009 6.128 -4.831 1.00 0.29 H new ATOM 0 HB2 LYS A 26 -3.180 5.108 -7.420 1.00 0.35 H new ATOM 0 HB3 LYS A 26 -2.921 6.785 -6.980 1.00 0.35 H new ATOM 0 HG2 LYS A 26 -0.779 4.675 -7.450 1.00 0.55 H new ATOM 0 HG3 LYS A 26 -1.160 6.032 -8.492 1.00 0.55 H new ATOM 0 HD2 LYS A 26 -0.299 7.624 -6.858 1.00 1.12 H new ATOM 0 HD3 LYS A 26 -0.115 6.368 -5.650 1.00 1.12 H new ATOM 0 HE2 LYS A 26 2.070 6.860 -6.617 1.00 0.71 H new ATOM 0 HE3 LYS A 26 1.594 5.238 -7.080 1.00 0.71 H new ATOM 0 HZ1 LYS A 26 2.534 6.436 -8.925 1.00 2.13 H new ATOM 0 HZ2 LYS A 26 0.901 6.086 -9.232 1.00 2.13 H new ATOM 0 HZ3 LYS A 26 1.362 7.657 -8.783 1.00 2.13 H new ATOM 387 N GLY A 27 -4.865 4.476 -5.044 1.00 0.28 N ATOM 388 CA GLY A 27 -6.188 4.390 -4.445 1.00 0.32 C ATOM 389 C GLY A 27 -6.087 4.408 -2.920 1.00 0.35 C ATOM 390 O GLY A 27 -6.889 5.043 -2.238 1.00 0.50 O ATOM 0 H GLY A 27 -4.630 3.688 -5.647 1.00 0.28 H new ATOM 0 HA2 GLY A 27 -6.802 5.224 -4.785 1.00 0.32 H new ATOM 0 HA3 GLY A 27 -6.683 3.476 -4.772 1.00 0.32 H new ATOM 394 N LEU A 28 -5.084 3.722 -2.380 1.00 0.31 N ATOM 395 CA LEU A 28 -4.854 3.659 -0.945 1.00 0.37 C ATOM 396 C LEU A 28 -4.464 5.055 -0.438 1.00 0.37 C ATOM 397 O LEU A 28 -4.989 5.529 0.564 1.00 0.48 O ATOM 398 CB LEU A 28 -3.839 2.537 -0.666 1.00 0.43 C ATOM 399 CG LEU A 28 -3.394 2.325 0.786 1.00 0.54 C ATOM 400 CD1 LEU A 28 -2.282 3.303 1.161 1.00 2.36 C ATOM 401 CD2 LEU A 28 -4.559 2.408 1.778 1.00 1.96 C ATOM 0 H LEU A 28 -4.407 3.193 -2.930 1.00 0.31 H new ATOM 0 HA LEU A 28 -5.749 3.395 -0.382 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -4.266 1.601 -1.026 1.00 0.43 H new ATOM 0 HB3 LEU A 28 -2.949 2.733 -1.265 1.00 0.43 H new ATOM 0 HG LEU A 28 -3.001 1.310 0.852 1.00 0.54 H new ATOM 0 HD11 LEU A 28 -1.982 3.134 2.195 1.00 2.36 H new ATOM 0 HD12 LEU A 28 -1.425 3.149 0.505 1.00 2.36 H new ATOM 0 HD13 LEU A 28 -2.644 4.325 1.050 1.00 2.36 H new ATOM 0 HD21 LEU A 28 -4.187 2.251 2.790 1.00 1.96 H new ATOM 0 HD22 LEU A 28 -5.024 3.391 1.711 1.00 1.96 H new ATOM 0 HD23 LEU A 28 -5.296 1.641 1.539 1.00 1.96 H new ATOM 413 N LYS A 29 -3.602 5.761 -1.171 1.00 0.32 N ATOM 414 CA LYS A 29 -3.155 7.122 -0.886 1.00 0.38 C ATOM 415 C LYS A 29 -4.294 8.147 -0.776 1.00 0.49 C ATOM 416 O LYS A 29 -4.052 9.294 -0.384 1.00 0.89 O ATOM 417 CB LYS A 29 -2.165 7.565 -1.965 1.00 0.45 C ATOM 418 CG LYS A 29 -1.151 8.578 -1.434 1.00 0.81 C ATOM 419 CD LYS A 29 -0.892 9.685 -2.469 1.00 0.91 C ATOM 420 CE LYS A 29 -1.990 10.750 -2.482 1.00 1.64 C ATOM 421 NZ LYS A 29 -2.261 11.292 -1.133 1.00 2.89 N ATOM 0 H LYS A 29 -3.178 5.381 -2.017 1.00 0.32 H new ATOM 0 HA LYS A 29 -2.681 7.092 0.095 1.00 0.38 H new ATOM 0 HB2 LYS A 29 -1.637 6.693 -2.352 1.00 0.45 H new ATOM 0 HB3 LYS A 29 -2.712 8.003 -2.800 1.00 0.45 H new ATOM 0 HG2 LYS A 29 -1.521 9.019 -0.508 1.00 0.81 H new ATOM 0 HG3 LYS A 29 -0.216 8.072 -1.194 1.00 0.81 H new ATOM 0 HD2 LYS A 29 0.066 10.159 -2.256 1.00 0.91 H new ATOM 0 HD3 LYS A 29 -0.813 9.239 -3.460 1.00 0.91 H new ATOM 0 HE2 LYS A 29 -1.697 11.563 -3.146 1.00 1.64 H new ATOM 0 HE3 LYS A 29 -2.905 10.320 -2.889 1.00 1.64 H new ATOM 0 HZ1 LYS A 29 -2.769 12.196 -1.218 1.00 2.89 H new ATOM 0 HZ2 LYS A 29 -2.843 10.616 -0.598 1.00 2.89 H new ATOM 0 HZ3 LYS A 29 -1.362 11.446 -0.634 1.00 2.89 H new ATOM 435 N ARG A 30 -5.489 7.776 -1.244 1.00 0.38 N ATOM 436 CA ARG A 30 -6.713 8.561 -1.179 1.00 0.43 C ATOM 437 C ARG A 30 -7.427 8.395 0.174 1.00 0.46 C ATOM 438 O ARG A 30 -8.364 9.143 0.445 1.00 0.55 O ATOM 439 CB ARG A 30 -7.614 8.140 -2.359 1.00 0.44 C ATOM 440 CG ARG A 30 -7.889 9.266 -3.360 1.00 0.68 C ATOM 441 CD ARG A 30 -9.140 10.067 -2.986 1.00 1.53 C ATOM 442 NE ARG A 30 -9.408 11.115 -3.986 1.00 1.94 N ATOM 443 CZ ARG A 30 -8.869 12.346 -3.996 1.00 2.62 C ATOM 444 NH1 ARG A 30 -8.054 12.727 -3.006 1.00 3.93 N ATOM 445 NH2 ARG A 30 -9.143 13.186 -5.001 1.00 2.93 N ATOM 0 H ARG A 30 -5.630 6.875 -1.700 1.00 0.38 H new ATOM 0 HA ARG A 30 -6.474 9.622 -1.260 1.00 0.43 H new ATOM 0 HB2 ARG A 30 -7.145 7.307 -2.883 1.00 0.44 H new ATOM 0 HB3 ARG A 30 -8.563 7.775 -1.967 1.00 0.44 H new ATOM 0 HG2 ARG A 30 -7.029 9.934 -3.401 1.00 0.68 H new ATOM 0 HG3 ARG A 30 -8.013 8.844 -4.357 1.00 0.68 H new ATOM 0 HD2 ARG A 30 -9.998 9.398 -2.915 1.00 1.53 H new ATOM 0 HD3 ARG A 30 -9.007 10.521 -2.004 1.00 1.53 H new ATOM 0 HE ARG A 30 -10.060 10.886 -4.737 1.00 1.94 H new ATOM 0 HH11 ARG A 30 -7.842 12.083 -2.244 1.00 3.93 H new ATOM 0 HH12 ARG A 30 -7.645 13.661 -3.013 1.00 3.93 H new ATOM 0 HH21 ARG A 30 -9.760 12.892 -5.758 1.00 2.93 H new ATOM 0 HH22 ARG A 30 -8.735 14.121 -5.010 1.00 2.93 H new ATOM 459 N MET A 31 -7.024 7.427 1.007 1.00 0.42 N ATOM 460 CA MET A 31 -7.626 7.200 2.316 1.00 0.44 C ATOM 461 C MET A 31 -7.248 8.306 3.303 1.00 0.43 C ATOM 462 O MET A 31 -6.177 8.902 3.174 1.00 0.43 O ATOM 463 CB MET A 31 -7.150 5.854 2.890 1.00 0.53 C ATOM 464 CG MET A 31 -7.749 4.669 2.135 1.00 1.60 C ATOM 465 SD MET A 31 -9.547 4.479 2.280 1.00 3.09 S ATOM 466 CE MET A 31 -9.698 3.801 3.948 1.00 3.25 C ATOM 0 H MET A 31 -6.268 6.779 0.786 1.00 0.42 H new ATOM 0 HA MET A 31 -8.708 7.196 2.181 1.00 0.44 H new ATOM 0 HB2 MET A 31 -6.062 5.803 2.841 1.00 0.53 H new ATOM 0 HB3 MET A 31 -7.425 5.790 3.943 1.00 0.53 H new ATOM 0 HG2 MET A 31 -7.496 4.767 1.079 1.00 1.60 H new ATOM 0 HG3 MET A 31 -7.275 3.755 2.493 1.00 1.60 H new ATOM 0 HE1 MET A 31 -10.750 3.632 4.178 1.00 3.25 H new ATOM 0 HE2 MET A 31 -9.157 2.857 4.007 1.00 3.25 H new ATOM 0 HE3 MET A 31 -9.278 4.505 4.666 1.00 3.25 H new ATOM 476 N PRO A 32 -8.082 8.542 4.331 1.00 0.48 N ATOM 477 CA PRO A 32 -7.660 9.309 5.488 1.00 0.41 C ATOM 478 C PRO A 32 -6.413 8.648 6.084 1.00 0.41 C ATOM 479 O PRO A 32 -6.291 7.422 6.081 1.00 0.59 O ATOM 480 CB PRO A 32 -8.850 9.286 6.454 1.00 0.48 C ATOM 481 CG PRO A 32 -9.572 7.989 6.098 1.00 0.55 C ATOM 482 CD PRO A 32 -9.363 7.897 4.588 1.00 0.57 C ATOM 0 HA PRO A 32 -7.392 10.339 5.254 1.00 0.41 H new ATOM 0 HB2 PRO A 32 -8.523 9.291 7.494 1.00 0.48 H new ATOM 0 HB3 PRO A 32 -9.494 10.155 6.318 1.00 0.48 H new ATOM 0 HG2 PRO A 32 -9.146 7.132 6.619 1.00 0.55 H new ATOM 0 HG3 PRO A 32 -10.629 8.028 6.360 1.00 0.55 H new ATOM 0 HD2 PRO A 32 -9.353 6.859 4.256 1.00 0.57 H new ATOM 0 HD3 PRO A 32 -10.169 8.396 4.049 1.00 0.57 H new ATOM 490 N GLY A 33 -5.464 9.457 6.553 1.00 0.41 N ATOM 491 CA GLY A 33 -4.304 8.964 7.265 1.00 0.46 C ATOM 492 C GLY A 33 -3.126 8.602 6.375 1.00 0.46 C ATOM 493 O GLY A 33 -2.051 8.358 6.915 1.00 0.88 O ATOM 0 H GLY A 33 -5.485 10.471 6.446 1.00 0.41 H new ATOM 0 HA2 GLY A 33 -3.983 9.721 7.981 1.00 0.46 H new ATOM 0 HA3 GLY A 33 -4.593 8.084 7.840 1.00 0.46 H new ATOM 497 N VAL A 34 -3.297 8.509 5.051 1.00 0.37 N ATOM 498 CA VAL A 34 -2.196 8.217 4.148 1.00 0.28 C ATOM 499 C VAL A 34 -1.871 9.464 3.342 1.00 0.30 C ATOM 500 O VAL A 34 -2.738 10.011 2.660 1.00 0.55 O ATOM 501 CB VAL A 34 -2.516 7.034 3.228 1.00 0.31 C ATOM 502 CG1 VAL A 34 -1.249 6.742 2.410 1.00 0.28 C ATOM 503 CG2 VAL A 34 -2.928 5.806 4.050 1.00 0.42 C ATOM 0 H VAL A 34 -4.196 8.634 4.586 1.00 0.37 H new ATOM 0 HA VAL A 34 -1.326 7.929 4.737 1.00 0.28 H new ATOM 0 HB VAL A 34 -3.351 7.273 2.569 1.00 0.31 H new ATOM 0 HG11 VAL A 34 -1.434 5.903 1.739 1.00 0.28 H new ATOM 0 HG12 VAL A 34 -0.983 7.622 1.825 1.00 0.28 H new ATOM 0 HG13 VAL A 34 -0.430 6.493 3.085 1.00 0.28 H new ATOM 0 HG21 VAL A 34 -3.151 4.977 3.379 1.00 0.42 H new ATOM 0 HG22 VAL A 34 -2.113 5.524 4.716 1.00 0.42 H new ATOM 0 HG23 VAL A 34 -3.813 6.043 4.640 1.00 0.42 H new ATOM 513 N THR A 35 -0.608 9.883 3.384 1.00 0.28 N ATOM 514 CA THR A 35 -0.177 11.092 2.721 1.00 0.32 C ATOM 515 C THR A 35 0.442 10.754 1.363 1.00 0.31 C ATOM 516 O THR A 35 -0.024 11.299 0.357 1.00 0.45 O ATOM 517 CB THR A 35 0.675 11.912 3.681 1.00 0.42 C ATOM 518 OG1 THR A 35 -0.131 12.253 4.796 1.00 1.16 O ATOM 519 CG2 THR A 35 1.139 13.224 3.056 1.00 0.84 C ATOM 0 H THR A 35 0.136 9.390 3.879 1.00 0.28 H new ATOM 0 HA THR A 35 -1.013 11.744 2.468 1.00 0.32 H new ATOM 0 HB THR A 35 1.548 11.316 3.949 1.00 0.42 H new ATOM 0 HG1 THR A 35 -0.061 11.552 5.477 1.00 1.16 H new ATOM 0 HG21 THR A 35 1.743 13.776 3.776 1.00 0.84 H new ATOM 0 HG22 THR A 35 1.735 13.013 2.168 1.00 0.84 H new ATOM 0 HG23 THR A 35 0.271 13.821 2.777 1.00 0.84 H new ATOM 527 N ASP A 36 1.395 9.812 1.291 1.00 0.28 N ATOM 528 CA ASP A 36 1.987 9.371 0.037 1.00 0.31 C ATOM 529 C ASP A 36 2.169 7.859 0.027 1.00 0.25 C ATOM 530 O ASP A 36 2.116 7.214 1.070 1.00 0.24 O ATOM 531 CB ASP A 36 3.276 10.138 -0.285 1.00 0.44 C ATOM 532 CG ASP A 36 2.986 11.287 -1.242 1.00 0.85 C ATOM 533 OD1 ASP A 36 2.484 10.977 -2.347 1.00 1.51 O ATOM 534 OD2 ASP A 36 3.247 12.443 -0.851 1.00 2.11 O ATOM 0 H ASP A 36 1.773 9.337 2.111 1.00 0.28 H new ATOM 0 HA ASP A 36 1.295 9.609 -0.771 1.00 0.31 H new ATOM 0 HB2 ASP A 36 3.716 10.524 0.634 1.00 0.44 H new ATOM 0 HB3 ASP A 36 4.007 9.463 -0.729 1.00 0.44 H new ATOM 539 N ALA A 37 2.301 7.277 -1.166 1.00 0.27 N ATOM 540 CA ALA A 37 2.459 5.834 -1.334 1.00 0.26 C ATOM 541 C ALA A 37 3.147 5.481 -2.654 1.00 0.30 C ATOM 542 O ALA A 37 2.977 6.197 -3.641 1.00 0.38 O ATOM 543 CB ALA A 37 1.095 5.150 -1.204 1.00 0.36 C ATOM 0 H ALA A 37 2.301 7.796 -2.044 1.00 0.27 H new ATOM 0 HA ALA A 37 3.113 5.465 -0.544 1.00 0.26 H new ATOM 0 HB1 ALA A 37 1.214 4.074 -1.330 1.00 0.36 H new ATOM 0 HB2 ALA A 37 0.677 5.356 -0.219 1.00 0.36 H new ATOM 0 HB3 ALA A 37 0.422 5.532 -1.971 1.00 0.36 H new ATOM 549 N ASN A 38 3.948 4.404 -2.668 1.00 0.28 N ATOM 550 CA ASN A 38 4.891 4.120 -3.745 1.00 0.37 C ATOM 551 C ASN A 38 5.179 2.619 -3.773 1.00 0.33 C ATOM 552 O ASN A 38 5.668 2.067 -2.789 1.00 0.36 O ATOM 553 CB ASN A 38 6.225 4.888 -3.585 1.00 0.43 C ATOM 554 CG ASN A 38 6.383 5.746 -2.328 1.00 0.40 C ATOM 555 OD1 ASN A 38 6.642 6.941 -2.419 1.00 0.50 O ATOM 556 ND2 ASN A 38 6.254 5.158 -1.142 1.00 0.37 N ATOM 0 H ASN A 38 3.955 3.706 -1.925 1.00 0.28 H new ATOM 0 HA ASN A 38 4.433 4.450 -4.678 1.00 0.37 H new ATOM 0 HB2 ASN A 38 7.039 4.163 -3.605 1.00 0.43 H new ATOM 0 HB3 ASN A 38 6.351 5.533 -4.454 1.00 0.43 H new ATOM 0 HD21 ASN A 38 6.371 5.702 -0.287 1.00 0.37 H new ATOM 0 HD22 ASN A 38 6.038 4.163 -1.087 1.00 0.37 H new ATOM 563 N VAL A 39 4.904 1.961 -4.900 1.00 0.32 N ATOM 564 CA VAL A 39 5.083 0.524 -5.044 1.00 0.30 C ATOM 565 C VAL A 39 6.473 0.218 -5.618 1.00 0.33 C ATOM 566 O VAL A 39 6.713 0.365 -6.814 1.00 0.64 O ATOM 567 CB VAL A 39 3.902 -0.051 -5.845 1.00 0.35 C ATOM 568 CG1 VAL A 39 3.890 0.319 -7.337 1.00 0.54 C ATOM 569 CG2 VAL A 39 3.806 -1.568 -5.675 1.00 0.47 C ATOM 0 H VAL A 39 4.549 2.417 -5.741 1.00 0.32 H new ATOM 0 HA VAL A 39 5.065 0.021 -4.077 1.00 0.30 H new ATOM 0 HB VAL A 39 3.021 0.426 -5.417 1.00 0.35 H new ATOM 0 HG11 VAL A 39 3.021 -0.132 -7.817 1.00 0.54 H new ATOM 0 HG12 VAL A 39 3.841 1.403 -7.443 1.00 0.54 H new ATOM 0 HG13 VAL A 39 4.799 -0.051 -7.811 1.00 0.54 H new ATOM 0 HG21 VAL A 39 2.962 -1.946 -6.252 1.00 0.47 H new ATOM 0 HG22 VAL A 39 4.726 -2.033 -6.030 1.00 0.47 H new ATOM 0 HG23 VAL A 39 3.661 -1.808 -4.622 1.00 0.47 H new ATOM 579 N ASN A 40 7.424 -0.206 -4.783 1.00 0.27 N ATOM 580 CA ASN A 40 8.773 -0.525 -5.239 1.00 0.28 C ATOM 581 C ASN A 40 8.814 -1.974 -5.739 1.00 0.27 C ATOM 582 O ASN A 40 9.595 -2.812 -5.278 1.00 0.26 O ATOM 583 CB ASN A 40 9.773 -0.251 -4.111 1.00 0.31 C ATOM 584 CG ASN A 40 11.214 -0.270 -4.613 1.00 0.40 C ATOM 585 OD1 ASN A 40 11.480 -0.533 -5.782 1.00 0.59 O ATOM 586 ND2 ASN A 40 12.164 0.027 -3.733 1.00 0.60 N ATOM 0 H ASN A 40 7.280 -0.336 -3.782 1.00 0.27 H new ATOM 0 HA ASN A 40 9.057 0.110 -6.078 1.00 0.28 H new ATOM 0 HB2 ASN A 40 9.557 0.719 -3.662 1.00 0.31 H new ATOM 0 HB3 ASN A 40 9.651 -0.999 -3.328 1.00 0.31 H new ATOM 0 HD21 ASN A 40 13.142 0.040 -4.023 1.00 0.60 H new ATOM 0 HD22 ASN A 40 11.916 0.242 -2.767 1.00 0.60 H new ATOM 593 N LEU A 41 7.957 -2.268 -6.720 1.00 0.31 N ATOM 594 CA LEU A 41 7.802 -3.616 -7.254 1.00 0.37 C ATOM 595 C LEU A 41 9.060 -4.038 -8.014 1.00 0.45 C ATOM 596 O LEU A 41 9.326 -5.228 -8.156 1.00 0.54 O ATOM 597 CB LEU A 41 6.528 -3.708 -8.113 1.00 0.44 C ATOM 598 CG LEU A 41 5.579 -4.867 -7.759 1.00 0.55 C ATOM 599 CD1 LEU A 41 6.094 -6.223 -8.250 1.00 0.85 C ATOM 600 CD2 LEU A 41 5.261 -4.959 -6.262 1.00 1.02 C ATOM 0 H LEU A 41 7.353 -1.576 -7.164 1.00 0.31 H new ATOM 0 HA LEU A 41 7.681 -4.320 -6.431 1.00 0.37 H new ATOM 0 HB2 LEU A 41 5.980 -2.770 -8.022 1.00 0.44 H new ATOM 0 HB3 LEU A 41 6.821 -3.806 -9.158 1.00 0.44 H new ATOM 0 HG LEU A 41 4.655 -4.628 -8.287 1.00 0.55 H new ATOM 0 HD11 LEU A 41 5.385 -7.003 -7.973 1.00 0.85 H new ATOM 0 HD12 LEU A 41 6.203 -6.200 -9.334 1.00 0.85 H new ATOM 0 HD13 LEU A 41 7.061 -6.432 -7.793 1.00 0.85 H new ATOM 0 HD21 LEU A 41 4.587 -5.797 -6.084 1.00 1.02 H new ATOM 0 HD22 LEU A 41 6.184 -5.110 -5.703 1.00 1.02 H new ATOM 0 HD23 LEU A 41 4.785 -4.035 -5.934 1.00 1.02 H new ATOM 612 N ALA A 42 9.878 -3.065 -8.431 1.00 0.46 N ATOM 613 CA ALA A 42 11.216 -3.301 -8.952 1.00 0.55 C ATOM 614 C ALA A 42 12.021 -4.253 -8.064 1.00 0.51 C ATOM 615 O ALA A 42 12.832 -5.013 -8.587 1.00 0.62 O ATOM 616 CB ALA A 42 11.960 -1.973 -9.085 1.00 0.57 C ATOM 0 H ALA A 42 9.619 -2.079 -8.413 1.00 0.46 H new ATOM 0 HA ALA A 42 11.109 -3.771 -9.930 1.00 0.55 H new ATOM 0 HB1 ALA A 42 12.961 -2.154 -9.475 1.00 0.57 H new ATOM 0 HB2 ALA A 42 11.417 -1.319 -9.767 1.00 0.57 H new ATOM 0 HB3 ALA A 42 12.033 -1.497 -8.107 1.00 0.57 H new ATOM 622 N THR A 43 11.814 -4.210 -6.740 1.00 0.44 N ATOM 623 CA THR A 43 12.440 -5.152 -5.817 1.00 0.50 C ATOM 624 C THR A 43 11.385 -5.944 -5.034 1.00 0.64 C ATOM 625 O THR A 43 11.655 -6.359 -3.909 1.00 1.24 O ATOM 626 CB THR A 43 13.449 -4.422 -4.913 1.00 0.53 C ATOM 627 OG1 THR A 43 14.176 -5.352 -4.140 1.00 0.68 O ATOM 628 CG2 THR A 43 12.798 -3.415 -3.962 1.00 0.61 C ATOM 0 H THR A 43 11.211 -3.524 -6.287 1.00 0.44 H new ATOM 0 HA THR A 43 13.004 -5.890 -6.387 1.00 0.50 H new ATOM 0 HB THR A 43 14.105 -3.871 -5.587 1.00 0.53 H new ATOM 0 HG1 THR A 43 13.565 -6.030 -3.784 1.00 0.68 H new ATOM 0 HG21 THR A 43 13.567 -2.938 -3.355 1.00 0.61 H new ATOM 0 HG22 THR A 43 12.270 -2.657 -4.541 1.00 0.61 H new ATOM 0 HG23 THR A 43 12.092 -3.932 -3.312 1.00 0.61 H new ATOM 636 N GLU A 44 10.199 -6.155 -5.621 1.00 0.40 N ATOM 637 CA GLU A 44 9.069 -6.823 -4.986 1.00 0.40 C ATOM 638 C GLU A 44 8.809 -6.297 -3.573 1.00 0.43 C ATOM 639 O GLU A 44 8.807 -7.056 -2.607 1.00 0.82 O ATOM 640 CB GLU A 44 9.281 -8.340 -4.977 1.00 0.48 C ATOM 641 CG GLU A 44 9.181 -8.963 -6.377 1.00 0.67 C ATOM 642 CD GLU A 44 8.058 -9.993 -6.421 1.00 1.74 C ATOM 643 OE1 GLU A 44 6.906 -9.557 -6.638 1.00 2.80 O ATOM 644 OE2 GLU A 44 8.366 -11.182 -6.200 1.00 2.77 O ATOM 0 H GLU A 44 10.000 -5.856 -6.576 1.00 0.40 H new ATOM 0 HA GLU A 44 8.181 -6.598 -5.576 1.00 0.40 H new ATOM 0 HB2 GLU A 44 10.261 -8.563 -4.554 1.00 0.48 H new ATOM 0 HB3 GLU A 44 8.540 -8.802 -4.325 1.00 0.48 H new ATOM 0 HG2 GLU A 44 8.997 -8.184 -7.117 1.00 0.67 H new ATOM 0 HG3 GLU A 44 10.127 -9.436 -6.640 1.00 0.67 H new ATOM 651 N THR A 45 8.583 -4.994 -3.427 1.00 0.30 N ATOM 652 CA THR A 45 8.292 -4.377 -2.151 1.00 0.26 C ATOM 653 C THR A 45 7.326 -3.212 -2.393 1.00 0.19 C ATOM 654 O THR A 45 7.259 -2.685 -3.500 1.00 0.23 O ATOM 655 CB THR A 45 9.638 -3.943 -1.558 1.00 0.34 C ATOM 656 OG1 THR A 45 10.453 -5.072 -1.311 1.00 0.79 O ATOM 657 CG2 THR A 45 9.487 -3.183 -0.252 1.00 0.52 C ATOM 0 H THR A 45 8.599 -4.335 -4.206 1.00 0.30 H new ATOM 0 HA THR A 45 7.805 -5.047 -1.442 1.00 0.26 H new ATOM 0 HB THR A 45 10.094 -3.282 -2.295 1.00 0.34 H new ATOM 0 HG1 THR A 45 10.894 -5.346 -2.143 1.00 0.79 H new ATOM 0 HG21 THR A 45 10.472 -2.901 0.121 1.00 0.52 H new ATOM 0 HG22 THR A 45 8.892 -2.285 -0.420 1.00 0.52 H new ATOM 0 HG23 THR A 45 8.989 -3.816 0.482 1.00 0.52 H new ATOM 665 N VAL A 46 6.570 -2.803 -1.376 1.00 0.21 N ATOM 666 CA VAL A 46 5.733 -1.612 -1.409 1.00 0.18 C ATOM 667 C VAL A 46 6.121 -0.729 -0.230 1.00 0.17 C ATOM 668 O VAL A 46 6.464 -1.262 0.827 1.00 0.19 O ATOM 669 CB VAL A 46 4.247 -2.007 -1.400 1.00 0.22 C ATOM 670 CG1 VAL A 46 3.881 -2.970 -0.269 1.00 0.29 C ATOM 671 CG2 VAL A 46 3.339 -0.783 -1.287 1.00 0.31 C ATOM 0 H VAL A 46 6.523 -3.303 -0.488 1.00 0.21 H new ATOM 0 HA VAL A 46 5.890 -1.046 -2.327 1.00 0.18 H new ATOM 0 HB VAL A 46 4.090 -2.513 -2.353 1.00 0.22 H new ATOM 0 HG11 VAL A 46 2.818 -3.207 -0.322 1.00 0.29 H new ATOM 0 HG12 VAL A 46 4.462 -3.887 -0.369 1.00 0.29 H new ATOM 0 HG13 VAL A 46 4.101 -2.504 0.691 1.00 0.29 H new ATOM 0 HG21 VAL A 46 2.297 -1.102 -1.284 1.00 0.31 H new ATOM 0 HG22 VAL A 46 3.559 -0.251 -0.361 1.00 0.31 H new ATOM 0 HG23 VAL A 46 3.513 -0.121 -2.135 1.00 0.31 H new ATOM 681 N ASN A 47 6.084 0.599 -0.411 1.00 0.19 N ATOM 682 CA ASN A 47 6.331 1.568 0.643 1.00 0.20 C ATOM 683 C ASN A 47 5.143 2.512 0.705 1.00 0.20 C ATOM 684 O ASN A 47 4.659 2.958 -0.336 1.00 0.27 O ATOM 685 CB ASN A 47 7.608 2.370 0.371 1.00 0.21 C ATOM 686 CG ASN A 47 8.868 1.647 0.825 1.00 0.23 C ATOM 687 OD1 ASN A 47 9.714 1.289 0.013 1.00 0.32 O ATOM 688 ND2 ASN A 47 9.021 1.460 2.133 1.00 0.25 N ATOM 0 H ASN A 47 5.877 1.028 -1.313 1.00 0.19 H new ATOM 0 HA ASN A 47 6.462 1.043 1.589 1.00 0.20 H new ATOM 0 HB2 ASN A 47 7.680 2.579 -0.696 1.00 0.21 H new ATOM 0 HB3 ASN A 47 7.543 3.331 0.881 1.00 0.21 H new ATOM 0 HD21 ASN A 47 9.863 1.006 2.488 1.00 0.25 H new ATOM 0 HD22 ASN A 47 8.297 1.770 2.781 1.00 0.25 H new ATOM 695 N VAL A 48 4.689 2.843 1.913 1.00 0.21 N ATOM 696 CA VAL A 48 3.519 3.668 2.118 1.00 0.22 C ATOM 697 C VAL A 48 3.895 4.677 3.196 1.00 0.22 C ATOM 698 O VAL A 48 4.392 4.297 4.260 1.00 0.22 O ATOM 699 CB VAL A 48 2.291 2.791 2.413 1.00 0.26 C ATOM 700 CG1 VAL A 48 2.512 1.808 3.572 1.00 1.82 C ATOM 701 CG2 VAL A 48 1.038 3.660 2.589 1.00 1.61 C ATOM 0 H VAL A 48 5.133 2.539 2.779 1.00 0.21 H new ATOM 0 HA VAL A 48 3.218 4.228 1.232 1.00 0.22 H new ATOM 0 HB VAL A 48 2.129 2.154 1.544 1.00 0.26 H new ATOM 0 HG11 VAL A 48 1.608 1.220 3.728 1.00 1.82 H new ATOM 0 HG12 VAL A 48 3.341 1.142 3.331 1.00 1.82 H new ATOM 0 HG13 VAL A 48 2.745 2.363 4.481 1.00 1.82 H new ATOM 0 HG21 VAL A 48 0.179 3.022 2.797 1.00 1.61 H new ATOM 0 HG22 VAL A 48 1.187 4.350 3.420 1.00 1.61 H new ATOM 0 HG23 VAL A 48 0.857 4.226 1.675 1.00 1.61 H new ATOM 711 N ILE A 49 3.748 5.959 2.853 1.00 0.26 N ATOM 712 CA ILE A 49 4.170 7.100 3.638 1.00 0.29 C ATOM 713 C ILE A 49 2.910 7.646 4.312 1.00 0.28 C ATOM 714 O ILE A 49 2.180 8.465 3.739 1.00 0.33 O ATOM 715 CB ILE A 49 4.840 8.161 2.739 1.00 0.33 C ATOM 716 CG1 ILE A 49 5.813 7.578 1.697 1.00 0.44 C ATOM 717 CG2 ILE A 49 5.517 9.229 3.608 1.00 0.39 C ATOM 718 CD1 ILE A 49 6.913 6.692 2.287 1.00 0.36 C ATOM 0 H ILE A 49 3.308 6.233 1.974 1.00 0.26 H new ATOM 0 HA ILE A 49 4.913 6.820 4.385 1.00 0.29 H new ATOM 0 HB ILE A 49 4.045 8.621 2.152 1.00 0.33 H new ATOM 0 HG12 ILE A 49 5.244 6.996 0.972 1.00 0.44 H new ATOM 0 HG13 ILE A 49 6.278 8.400 1.152 1.00 0.44 H new ATOM 0 HG21 ILE A 49 5.988 9.975 2.967 1.00 0.39 H new ATOM 0 HG22 ILE A 49 4.770 9.712 4.239 1.00 0.39 H new ATOM 0 HG23 ILE A 49 6.274 8.760 4.236 1.00 0.39 H new ATOM 0 HD11 ILE A 49 7.553 6.324 1.485 1.00 0.36 H new ATOM 0 HD12 ILE A 49 7.510 7.273 2.990 1.00 0.36 H new ATOM 0 HD13 ILE A 49 6.460 5.848 2.807 1.00 0.36 H new ATOM 730 N TYR A 50 2.614 7.144 5.507 1.00 0.29 N ATOM 731 CA TYR A 50 1.341 7.403 6.153 1.00 0.31 C ATOM 732 C TYR A 50 1.564 7.950 7.538 1.00 0.27 C ATOM 733 O TYR A 50 2.690 7.978 8.033 1.00 0.30 O ATOM 734 CB TYR A 50 0.443 6.164 6.163 1.00 0.33 C ATOM 735 CG TYR A 50 0.885 4.964 6.987 1.00 0.32 C ATOM 736 CD1 TYR A 50 0.703 4.953 8.383 1.00 1.79 C ATOM 737 CD2 TYR A 50 1.211 3.764 6.333 1.00 2.06 C ATOM 738 CE1 TYR A 50 0.877 3.765 9.113 1.00 1.83 C ATOM 739 CE2 TYR A 50 1.285 2.557 7.048 1.00 2.04 C ATOM 740 CZ TYR A 50 1.113 2.557 8.439 1.00 0.39 C ATOM 741 OH TYR A 50 1.108 1.378 9.125 1.00 0.49 O ATOM 0 H TYR A 50 3.246 6.552 6.047 1.00 0.29 H new ATOM 0 HA TYR A 50 0.811 8.158 5.572 1.00 0.31 H new ATOM 0 HB2 TYR A 50 -0.541 6.469 6.519 1.00 0.33 H new ATOM 0 HB3 TYR A 50 0.320 5.833 5.132 1.00 0.33 H new ATOM 0 HD1 TYR A 50 0.428 5.863 8.896 1.00 1.79 H new ATOM 0 HD2 TYR A 50 1.406 3.770 5.271 1.00 2.06 H new ATOM 0 HE1 TYR A 50 0.829 3.782 10.192 1.00 1.83 H new ATOM 0 HE2 TYR A 50 1.474 1.630 6.527 1.00 2.04 H new ATOM 0 HH TYR A 50 1.287 0.639 8.507 1.00 0.49 H new ATOM 751 N ASP A 51 0.480 8.437 8.117 1.00 0.31 N ATOM 752 CA ASP A 51 0.466 9.067 9.412 1.00 0.37 C ATOM 753 C ASP A 51 -0.003 8.033 10.441 1.00 0.36 C ATOM 754 O ASP A 51 -1.203 7.745 10.512 1.00 0.44 O ATOM 755 CB ASP A 51 -0.427 10.311 9.368 1.00 0.62 C ATOM 756 CG ASP A 51 -0.004 11.346 8.326 1.00 2.84 C ATOM 757 OD1 ASP A 51 -0.001 11.001 7.120 1.00 4.38 O ATOM 758 OD2 ASP A 51 0.293 12.483 8.752 1.00 3.77 O ATOM 0 H ASP A 51 -0.440 8.400 7.679 1.00 0.31 H new ATOM 0 HA ASP A 51 1.460 9.407 9.702 1.00 0.37 H new ATOM 0 HB2 ASP A 51 -1.452 10.002 9.163 1.00 0.62 H new ATOM 0 HB3 ASP A 51 -0.427 10.780 10.352 1.00 0.62 H new ATOM 763 N PRO A 52 0.900 7.445 11.253 1.00 0.39 N ATOM 764 CA PRO A 52 0.555 6.348 12.148 1.00 0.45 C ATOM 765 C PRO A 52 -0.262 6.795 13.369 1.00 0.56 C ATOM 766 O PRO A 52 -0.430 6.021 14.307 1.00 0.64 O ATOM 767 CB PRO A 52 1.889 5.716 12.555 1.00 0.50 C ATOM 768 CG PRO A 52 2.830 6.912 12.534 1.00 0.51 C ATOM 769 CD PRO A 52 2.331 7.698 11.324 1.00 0.42 C ATOM 0 HA PRO A 52 -0.096 5.634 11.643 1.00 0.45 H new ATOM 0 HB2 PRO A 52 1.837 5.256 13.542 1.00 0.50 H new ATOM 0 HB3 PRO A 52 2.202 4.939 11.857 1.00 0.50 H new ATOM 0 HG2 PRO A 52 2.766 7.496 13.452 1.00 0.51 H new ATOM 0 HG3 PRO A 52 3.871 6.609 12.421 1.00 0.51 H new ATOM 0 HD2 PRO A 52 2.535 8.763 11.437 1.00 0.42 H new ATOM 0 HD3 PRO A 52 2.832 7.373 10.412 1.00 0.42 H new ATOM 777 N ALA A 53 -0.774 8.031 13.372 1.00 0.62 N ATOM 778 CA ALA A 53 -1.790 8.469 14.306 1.00 0.75 C ATOM 779 C ALA A 53 -3.163 8.051 13.782 1.00 0.64 C ATOM 780 O ALA A 53 -4.097 7.929 14.571 1.00 0.80 O ATOM 781 CB ALA A 53 -1.712 9.993 14.426 1.00 0.96 C ATOM 0 H ALA A 53 -0.484 8.755 12.715 1.00 0.62 H new ATOM 0 HA ALA A 53 -1.633 8.017 15.285 1.00 0.75 H new ATOM 0 HB1 ALA A 53 -2.471 10.342 15.126 1.00 0.96 H new ATOM 0 HB2 ALA A 53 -0.725 10.279 14.788 1.00 0.96 H new ATOM 0 HB3 ALA A 53 -1.885 10.444 13.449 1.00 0.96 H new ATOM 787 N GLU A 54 -3.286 7.878 12.457 1.00 0.51 N ATOM 788 CA GLU A 54 -4.555 7.685 11.783 1.00 0.56 C ATOM 789 C GLU A 54 -4.581 6.298 11.131 1.00 0.52 C ATOM 790 O GLU A 54 -5.456 5.495 11.450 1.00 0.63 O ATOM 791 CB GLU A 54 -4.774 8.806 10.757 1.00 0.67 C ATOM 792 CG GLU A 54 -5.968 9.704 11.092 1.00 0.56 C ATOM 793 CD GLU A 54 -6.159 10.750 10.001 1.00 1.61 C ATOM 794 OE1 GLU A 54 -5.522 11.818 10.120 1.00 2.59 O ATOM 795 OE2 GLU A 54 -6.909 10.450 9.047 1.00 2.83 O ATOM 0 H GLU A 54 -2.486 7.870 11.824 1.00 0.51 H new ATOM 0 HA GLU A 54 -5.373 7.733 12.502 1.00 0.56 H new ATOM 0 HB2 GLU A 54 -3.873 9.417 10.698 1.00 0.67 H new ATOM 0 HB3 GLU A 54 -4.925 8.364 9.772 1.00 0.67 H new ATOM 0 HG2 GLU A 54 -6.870 9.101 11.190 1.00 0.56 H new ATOM 0 HG3 GLU A 54 -5.806 10.194 12.052 1.00 0.56 H new ATOM 802 N THR A 55 -3.630 6.003 10.229 1.00 0.46 N ATOM 803 CA THR A 55 -3.392 4.629 9.799 1.00 0.46 C ATOM 804 C THR A 55 -2.390 3.952 10.724 1.00 0.39 C ATOM 805 O THR A 55 -2.083 4.460 11.799 1.00 0.40 O ATOM 806 CB THR A 55 -3.160 4.482 8.287 1.00 0.50 C ATOM 807 OG1 THR A 55 -2.329 5.497 7.829 1.00 0.71 O ATOM 808 CG2 THR A 55 -4.506 4.570 7.579 1.00 0.49 C ATOM 0 H THR A 55 -3.022 6.695 9.791 1.00 0.46 H new ATOM 0 HA THR A 55 -4.313 4.057 9.915 1.00 0.46 H new ATOM 0 HB THR A 55 -2.686 3.522 8.081 1.00 0.50 H new ATOM 0 HG1 THR A 55 -1.395 5.265 8.017 1.00 0.71 H new ATOM 0 HG21 THR A 55 -4.359 4.467 6.504 1.00 0.49 H new ATOM 0 HG22 THR A 55 -5.157 3.771 7.934 1.00 0.49 H new ATOM 0 HG23 THR A 55 -4.967 5.535 7.792 1.00 0.49 H new ATOM 816 N GLY A 56 -1.956 2.751 10.354 1.00 0.50 N ATOM 817 CA GLY A 56 -1.455 1.781 11.296 1.00 0.51 C ATOM 818 C GLY A 56 -2.088 0.465 10.885 1.00 0.96 C ATOM 819 O GLY A 56 -3.100 0.076 11.453 1.00 2.34 O ATOM 0 H GLY A 56 -1.946 2.431 9.386 1.00 0.50 H new ATOM 0 HA2 GLY A 56 -0.367 1.723 11.261 1.00 0.51 H new ATOM 0 HA3 GLY A 56 -1.727 2.047 12.317 1.00 0.51 H new ATOM 823 N THR A 57 -1.422 -0.229 9.958 1.00 0.54 N ATOM 824 CA THR A 57 -1.734 -1.062 8.792 1.00 0.63 C ATOM 825 C THR A 57 -3.183 -1.461 8.494 1.00 0.48 C ATOM 826 O THR A 57 -3.470 -1.813 7.351 1.00 0.50 O ATOM 827 CB THR A 57 -0.931 -2.359 8.995 1.00 0.98 C ATOM 828 OG1 THR A 57 -1.425 -3.042 10.128 1.00 1.14 O ATOM 829 CG2 THR A 57 0.564 -2.118 9.236 1.00 1.07 C ATOM 0 H THR A 57 -0.405 -0.207 10.038 1.00 0.54 H new ATOM 0 HA THR A 57 -1.487 -0.436 7.935 1.00 0.63 H new ATOM 0 HB THR A 57 -1.046 -2.933 8.075 1.00 0.98 H new ATOM 0 HG1 THR A 57 -0.916 -3.869 10.259 1.00 1.14 H new ATOM 0 HG21 THR A 57 1.070 -3.074 9.371 1.00 1.07 H new ATOM 0 HG22 THR A 57 0.992 -1.599 8.378 1.00 1.07 H new ATOM 0 HG23 THR A 57 0.695 -1.509 10.130 1.00 1.07 H new ATOM 837 N ALA A 58 -4.085 -1.344 9.458 1.00 0.48 N ATOM 838 CA ALA A 58 -5.525 -1.411 9.323 1.00 0.51 C ATOM 839 C ALA A 58 -6.030 -0.970 7.956 1.00 0.55 C ATOM 840 O ALA A 58 -6.491 -1.784 7.156 1.00 0.64 O ATOM 841 CB ALA A 58 -6.095 -0.504 10.419 1.00 0.62 C ATOM 0 H ALA A 58 -3.803 -1.188 10.426 1.00 0.48 H new ATOM 0 HA ALA A 58 -5.850 -2.447 9.423 1.00 0.51 H new ATOM 0 HB1 ALA A 58 -7.184 -0.513 10.369 1.00 0.62 H new ATOM 0 HB2 ALA A 58 -5.774 -0.867 11.395 1.00 0.62 H new ATOM 0 HB3 ALA A 58 -5.733 0.514 10.274 1.00 0.62 H new ATOM 847 N ALA A 59 -5.865 0.315 7.631 1.00 0.55 N ATOM 848 CA ALA A 59 -6.618 0.811 6.472 1.00 0.55 C ATOM 849 C ALA A 59 -6.027 0.230 5.200 1.00 0.51 C ATOM 850 O ALA A 59 -6.739 -0.080 4.248 1.00 0.49 O ATOM 851 CB ALA A 59 -6.661 2.329 6.384 1.00 0.67 C ATOM 0 H ALA A 59 -5.266 0.988 8.109 1.00 0.55 H new ATOM 0 HA ALA A 59 -7.650 0.483 6.598 1.00 0.55 H new ATOM 0 HB1 ALA A 59 -7.233 2.626 5.505 1.00 0.67 H new ATOM 0 HB2 ALA A 59 -7.135 2.732 7.279 1.00 0.67 H new ATOM 0 HB3 ALA A 59 -5.646 2.718 6.305 1.00 0.67 H new ATOM 857 N ILE A 60 -4.703 0.101 5.220 1.00 0.53 N ATOM 858 CA ILE A 60 -3.923 -0.507 4.176 1.00 0.51 C ATOM 859 C ILE A 60 -4.462 -1.900 3.897 1.00 0.45 C ATOM 860 O ILE A 60 -4.863 -2.152 2.770 1.00 0.42 O ATOM 861 CB ILE A 60 -2.431 -0.424 4.557 1.00 0.53 C ATOM 862 CG1 ILE A 60 -1.882 0.926 4.087 1.00 0.56 C ATOM 863 CG2 ILE A 60 -1.573 -1.532 3.947 1.00 0.53 C ATOM 864 CD1 ILE A 60 -2.312 2.100 4.977 1.00 0.82 C ATOM 0 H ILE A 60 -4.134 0.434 5.999 1.00 0.53 H new ATOM 0 HA ILE A 60 -4.008 0.022 3.227 1.00 0.51 H new ATOM 0 HB ILE A 60 -2.377 -0.541 5.639 1.00 0.53 H new ATOM 0 HG12 ILE A 60 -0.793 0.878 4.061 1.00 0.56 H new ATOM 0 HG13 ILE A 60 -2.217 1.111 3.066 1.00 0.56 H new ATOM 0 HG21 ILE A 60 -0.537 -1.405 4.261 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -1.938 -2.502 4.284 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -1.631 -1.480 2.860 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -1.889 3.026 4.588 1.00 0.82 H new ATOM 0 HD12 ILE A 60 -3.400 2.173 4.983 1.00 0.82 H new ATOM 0 HD13 ILE A 60 -1.954 1.936 5.993 1.00 0.82 H new ATOM 876 N GLN A 61 -4.521 -2.788 4.890 1.00 0.44 N ATOM 877 CA GLN A 61 -4.992 -4.147 4.652 1.00 0.38 C ATOM 878 C GLN A 61 -6.453 -4.135 4.171 1.00 0.34 C ATOM 879 O GLN A 61 -6.774 -4.772 3.165 1.00 0.33 O ATOM 880 CB GLN A 61 -4.782 -5.018 5.898 1.00 0.46 C ATOM 881 CG GLN A 61 -3.830 -6.212 5.678 1.00 0.52 C ATOM 882 CD GLN A 61 -2.690 -6.242 6.691 1.00 0.75 C ATOM 883 OE1 GLN A 61 -2.484 -7.232 7.384 1.00 1.19 O ATOM 884 NE2 GLN A 61 -1.924 -5.159 6.779 1.00 0.94 N ATOM 0 H GLN A 61 -4.252 -2.592 5.854 1.00 0.44 H new ATOM 0 HA GLN A 61 -4.401 -4.596 3.853 1.00 0.38 H new ATOM 0 HB2 GLN A 61 -4.387 -4.396 6.701 1.00 0.46 H new ATOM 0 HB3 GLN A 61 -5.749 -5.395 6.232 1.00 0.46 H new ATOM 0 HG2 GLN A 61 -4.396 -7.141 5.745 1.00 0.52 H new ATOM 0 HG3 GLN A 61 -3.416 -6.162 4.671 1.00 0.52 H new ATOM 0 HE21 GLN A 61 -2.117 -4.348 6.191 1.00 0.94 H new ATOM 0 HE22 GLN A 61 -1.143 -5.139 7.435 1.00 0.94 H new ATOM 893 N GLU A 62 -7.321 -3.373 4.850 1.00 0.36 N ATOM 894 CA GLU A 62 -8.719 -3.225 4.460 1.00 0.38 C ATOM 895 C GLU A 62 -8.845 -2.899 2.968 1.00 0.36 C ATOM 896 O GLU A 62 -9.553 -3.570 2.211 1.00 0.39 O ATOM 897 CB GLU A 62 -9.384 -2.127 5.313 1.00 0.41 C ATOM 898 CG GLU A 62 -10.114 -2.676 6.548 1.00 0.76 C ATOM 899 CD GLU A 62 -9.164 -3.070 7.672 1.00 3.22 C ATOM 900 OE1 GLU A 62 -8.616 -4.188 7.584 1.00 4.35 O ATOM 901 OE2 GLU A 62 -9.023 -2.245 8.603 1.00 4.58 O ATOM 0 H GLU A 62 -7.068 -2.844 5.685 1.00 0.36 H new ATOM 0 HA GLU A 62 -9.230 -4.172 4.636 1.00 0.38 H new ATOM 0 HB2 GLU A 62 -8.623 -1.416 5.635 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -10.093 -1.576 4.695 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.812 -1.924 6.916 1.00 0.76 H new ATOM 0 HG3 GLU A 62 -10.706 -3.544 6.258 1.00 0.76 H new ATOM 908 N LYS A 63 -8.182 -1.827 2.537 1.00 0.35 N ATOM 909 CA LYS A 63 -8.249 -1.377 1.174 1.00 0.37 C ATOM 910 C LYS A 63 -7.526 -2.323 0.229 1.00 0.35 C ATOM 911 O LYS A 63 -8.010 -2.510 -0.880 1.00 0.37 O ATOM 912 CB LYS A 63 -7.677 0.029 1.091 1.00 0.39 C ATOM 913 CG LYS A 63 -8.719 1.112 1.376 1.00 0.44 C ATOM 914 CD LYS A 63 -9.596 1.506 0.171 1.00 0.59 C ATOM 915 CE LYS A 63 -10.722 0.512 -0.151 1.00 1.72 C ATOM 916 NZ LYS A 63 -11.819 1.144 -0.913 1.00 2.34 N ATOM 0 H LYS A 63 -7.586 -1.255 3.135 1.00 0.35 H new ATOM 0 HA LYS A 63 -9.292 -1.365 0.858 1.00 0.37 H new ATOM 0 HB2 LYS A 63 -6.857 0.125 1.802 1.00 0.39 H new ATOM 0 HB3 LYS A 63 -7.258 0.187 0.097 1.00 0.39 H new ATOM 0 HG2 LYS A 63 -9.368 0.768 2.181 1.00 0.44 H new ATOM 0 HG3 LYS A 63 -8.206 2.002 1.739 1.00 0.44 H new ATOM 0 HD2 LYS A 63 -10.036 2.484 0.363 1.00 0.59 H new ATOM 0 HD3 LYS A 63 -8.959 1.610 -0.707 1.00 0.59 H new ATOM 0 HE2 LYS A 63 -10.316 -0.322 -0.724 1.00 1.72 H new ATOM 0 HE3 LYS A 63 -11.117 0.099 0.777 1.00 1.72 H new ATOM 0 HZ1 LYS A 63 -12.557 0.438 -1.109 1.00 2.34 H new ATOM 0 HZ2 LYS A 63 -12.224 1.923 -0.356 1.00 2.34 H new ATOM 0 HZ3 LYS A 63 -11.449 1.516 -1.811 1.00 2.34 H new ATOM 930 N ILE A 64 -6.394 -2.898 0.636 1.00 0.32 N ATOM 931 CA ILE A 64 -5.623 -3.842 -0.150 1.00 0.29 C ATOM 932 C ILE A 64 -6.596 -4.918 -0.668 1.00 0.30 C ATOM 933 O ILE A 64 -6.708 -5.152 -1.872 1.00 0.31 O ATOM 934 CB ILE A 64 -4.505 -4.407 0.741 1.00 0.31 C ATOM 935 CG1 ILE A 64 -3.224 -3.572 0.611 1.00 0.33 C ATOM 936 CG2 ILE A 64 -4.231 -5.895 0.570 1.00 0.35 C ATOM 937 CD1 ILE A 64 -2.457 -3.865 -0.674 1.00 0.39 C ATOM 0 H ILE A 64 -5.982 -2.709 1.550 1.00 0.32 H new ATOM 0 HA ILE A 64 -5.143 -3.385 -1.015 1.00 0.29 H new ATOM 0 HB ILE A 64 -4.882 -4.321 1.760 1.00 0.31 H new ATOM 0 HG12 ILE A 64 -3.481 -2.513 0.642 1.00 0.33 H new ATOM 0 HG13 ILE A 64 -2.579 -3.769 1.467 1.00 0.33 H new ATOM 0 HG21 ILE A 64 -3.427 -6.196 1.241 1.00 0.35 H new ATOM 0 HG22 ILE A 64 -5.132 -6.460 0.807 1.00 0.35 H new ATOM 0 HG23 ILE A 64 -3.938 -6.095 -0.461 1.00 0.35 H new ATOM 0 HD11 ILE A 64 -1.561 -3.246 -0.712 1.00 0.39 H new ATOM 0 HD12 ILE A 64 -2.173 -4.917 -0.696 1.00 0.39 H new ATOM 0 HD13 ILE A 64 -3.089 -3.642 -1.534 1.00 0.39 H new ATOM 949 N GLU A 65 -7.352 -5.507 0.268 1.00 0.31 N ATOM 950 CA GLU A 65 -8.393 -6.480 -0.023 1.00 0.34 C ATOM 951 C GLU A 65 -9.435 -5.887 -0.973 1.00 0.36 C ATOM 952 O GLU A 65 -9.661 -6.425 -2.053 1.00 0.39 O ATOM 953 CB GLU A 65 -9.041 -6.944 1.289 1.00 0.37 C ATOM 954 CG GLU A 65 -8.189 -8.006 1.995 1.00 0.47 C ATOM 955 CD GLU A 65 -8.526 -9.412 1.508 1.00 0.69 C ATOM 956 OE1 GLU A 65 -9.693 -9.808 1.716 1.00 1.77 O ATOM 957 OE2 GLU A 65 -7.622 -10.059 0.940 1.00 1.81 O ATOM 0 H GLU A 65 -7.249 -5.312 1.264 1.00 0.31 H new ATOM 0 HA GLU A 65 -7.950 -7.343 -0.519 1.00 0.34 H new ATOM 0 HB2 GLU A 65 -9.178 -6.088 1.950 1.00 0.37 H new ATOM 0 HB3 GLU A 65 -10.032 -7.350 1.083 1.00 0.37 H new ATOM 0 HG2 GLU A 65 -7.133 -7.803 1.818 1.00 0.47 H new ATOM 0 HG3 GLU A 65 -8.349 -7.945 3.071 1.00 0.47 H new ATOM 964 N LYS A 66 -10.083 -4.779 -0.590 1.00 0.39 N ATOM 965 CA LYS A 66 -11.166 -4.214 -1.400 1.00 0.47 C ATOM 966 C LYS A 66 -10.718 -3.839 -2.823 1.00 0.47 C ATOM 967 O LYS A 66 -11.513 -3.914 -3.756 1.00 0.53 O ATOM 968 CB LYS A 66 -11.821 -3.015 -0.692 1.00 0.54 C ATOM 969 CG LYS A 66 -13.022 -3.406 0.183 1.00 0.72 C ATOM 970 CD LYS A 66 -12.598 -4.025 1.523 1.00 2.63 C ATOM 971 CE LYS A 66 -13.773 -4.647 2.294 1.00 3.35 C ATOM 972 NZ LYS A 66 -14.878 -3.694 2.534 1.00 4.10 N ATOM 0 H LYS A 66 -9.878 -4.262 0.265 1.00 0.39 H new ATOM 0 HA LYS A 66 -11.912 -5.001 -1.508 1.00 0.47 H new ATOM 0 HB2 LYS A 66 -11.076 -2.517 -0.072 1.00 0.54 H new ATOM 0 HB3 LYS A 66 -12.146 -2.293 -1.441 1.00 0.54 H new ATOM 0 HG2 LYS A 66 -13.633 -2.523 0.372 1.00 0.72 H new ATOM 0 HG3 LYS A 66 -13.647 -4.116 -0.360 1.00 0.72 H new ATOM 0 HD2 LYS A 66 -11.844 -4.791 1.341 1.00 2.63 H new ATOM 0 HD3 LYS A 66 -12.131 -3.258 2.140 1.00 2.63 H new ATOM 0 HE2 LYS A 66 -14.154 -5.503 1.736 1.00 3.35 H new ATOM 0 HE3 LYS A 66 -13.413 -5.025 3.251 1.00 3.35 H new ATOM 0 HZ1 LYS A 66 -15.625 -4.161 3.087 1.00 4.10 H new ATOM 0 HZ2 LYS A 66 -14.519 -2.872 3.061 1.00 4.10 H new ATOM 0 HZ3 LYS A 66 -15.267 -3.378 1.623 1.00 4.10 H new ATOM 986 N LEU A 67 -9.466 -3.414 -2.992 1.00 0.42 N ATOM 987 CA LEU A 67 -8.860 -3.112 -4.283 1.00 0.45 C ATOM 988 C LEU A 67 -8.611 -4.384 -5.103 1.00 0.45 C ATOM 989 O LEU A 67 -8.414 -4.295 -6.312 1.00 0.50 O ATOM 990 CB LEU A 67 -7.564 -2.311 -4.072 1.00 0.44 C ATOM 991 CG LEU A 67 -7.852 -0.837 -3.729 1.00 0.49 C ATOM 992 CD1 LEU A 67 -6.694 -0.228 -2.931 1.00 0.49 C ATOM 993 CD2 LEU A 67 -8.064 -0.021 -5.012 1.00 0.58 C ATOM 0 H LEU A 67 -8.829 -3.267 -2.209 1.00 0.42 H new ATOM 0 HA LEU A 67 -9.556 -2.503 -4.860 1.00 0.45 H new ATOM 0 HB2 LEU A 67 -6.983 -2.764 -3.269 1.00 0.44 H new ATOM 0 HB3 LEU A 67 -6.954 -2.362 -4.974 1.00 0.44 H new ATOM 0 HG LEU A 67 -8.758 -0.806 -3.124 1.00 0.49 H new ATOM 0 HD11 LEU A 67 -6.919 0.813 -2.700 1.00 0.49 H new ATOM 0 HD12 LEU A 67 -6.559 -0.784 -2.004 1.00 0.49 H new ATOM 0 HD13 LEU A 67 -5.779 -0.279 -3.521 1.00 0.49 H new ATOM 0 HD21 LEU A 67 -8.266 1.018 -4.753 1.00 0.58 H new ATOM 0 HD22 LEU A 67 -7.167 -0.073 -5.629 1.00 0.58 H new ATOM 0 HD23 LEU A 67 -8.910 -0.428 -5.567 1.00 0.58 H new ATOM 1005 N GLY A 68 -8.608 -5.554 -4.459 1.00 0.42 N ATOM 1006 CA GLY A 68 -8.425 -6.842 -5.105 1.00 0.42 C ATOM 1007 C GLY A 68 -6.953 -7.235 -5.114 1.00 0.36 C ATOM 1008 O GLY A 68 -6.457 -7.728 -6.125 1.00 0.37 O ATOM 0 H GLY A 68 -8.736 -5.626 -3.450 1.00 0.42 H new ATOM 0 HA2 GLY A 68 -9.006 -7.602 -4.583 1.00 0.42 H new ATOM 0 HA3 GLY A 68 -8.801 -6.799 -6.127 1.00 0.42 H new ATOM 1012 N TYR A 69 -6.255 -7.016 -3.996 1.00 0.35 N ATOM 1013 CA TYR A 69 -4.843 -7.329 -3.838 1.00 0.32 C ATOM 1014 C TYR A 69 -4.604 -7.975 -2.477 1.00 0.29 C ATOM 1015 O TYR A 69 -5.503 -8.005 -1.642 1.00 0.29 O ATOM 1016 CB TYR A 69 -4.040 -6.034 -3.967 1.00 0.34 C ATOM 1017 CG TYR A 69 -3.184 -6.035 -5.205 1.00 0.36 C ATOM 1018 CD1 TYR A 69 -3.765 -5.785 -6.460 1.00 1.85 C ATOM 1019 CD2 TYR A 69 -1.821 -6.355 -5.111 1.00 1.62 C ATOM 1020 CE1 TYR A 69 -2.957 -5.724 -7.604 1.00 1.87 C ATOM 1021 CE2 TYR A 69 -1.014 -6.268 -6.252 1.00 1.62 C ATOM 1022 CZ TYR A 69 -1.577 -5.961 -7.499 1.00 0.48 C ATOM 1023 OH TYR A 69 -0.774 -5.853 -8.592 1.00 0.56 O ATOM 0 H TYR A 69 -6.671 -6.606 -3.160 1.00 0.35 H new ATOM 0 HA TYR A 69 -4.525 -8.032 -4.608 1.00 0.32 H new ATOM 0 HB2 TYR A 69 -4.721 -5.184 -3.996 1.00 0.34 H new ATOM 0 HB3 TYR A 69 -3.409 -5.907 -3.087 1.00 0.34 H new ATOM 0 HD1 TYR A 69 -4.832 -5.640 -6.543 1.00 1.85 H new ATOM 0 HD2 TYR A 69 -1.398 -6.666 -4.167 1.00 1.62 H new ATOM 0 HE1 TYR A 69 -3.395 -5.495 -8.564 1.00 1.87 H new ATOM 0 HE2 TYR A 69 0.049 -6.439 -6.171 1.00 1.62 H new ATOM 0 HH TYR A 69 -1.285 -6.081 -9.397 1.00 0.56 H new ATOM 1033 N HIS A 70 -3.375 -8.446 -2.242 1.00 0.30 N ATOM 1034 CA HIS A 70 -2.940 -8.949 -0.949 1.00 0.32 C ATOM 1035 C HIS A 70 -1.527 -8.425 -0.696 1.00 0.30 C ATOM 1036 O HIS A 70 -0.650 -8.576 -1.544 1.00 0.48 O ATOM 1037 CB HIS A 70 -2.996 -10.482 -0.960 1.00 0.47 C ATOM 1038 CG HIS A 70 -2.840 -11.164 0.382 1.00 0.75 C ATOM 1039 ND1 HIS A 70 -2.233 -10.676 1.523 1.00 1.69 N ATOM 1040 CD2 HIS A 70 -3.289 -12.424 0.675 1.00 1.79 C ATOM 1041 CE1 HIS A 70 -2.324 -11.622 2.471 1.00 1.59 C ATOM 1042 NE2 HIS A 70 -2.951 -12.711 2.000 1.00 1.61 N ATOM 0 H HIS A 70 -2.650 -8.486 -2.958 1.00 0.30 H new ATOM 0 HA HIS A 70 -3.589 -8.607 -0.143 1.00 0.32 H new ATOM 0 HB2 HIS A 70 -3.949 -10.787 -1.391 1.00 0.47 H new ATOM 0 HB3 HIS A 70 -2.214 -10.849 -1.624 1.00 0.47 H new ATOM 0 HD1 HIS A 70 -1.794 -9.761 1.627 1.00 1.69 H new ATOM 0 HD2 HIS A 70 -3.814 -13.082 -0.001 1.00 1.79 H new ATOM 0 HE1 HIS A 70 -1.944 -11.520 3.477 1.00 1.59 H new ATOM 1050 N VAL A 71 -1.306 -7.809 0.467 1.00 0.37 N ATOM 1051 CA VAL A 71 0.017 -7.427 0.939 1.00 0.38 C ATOM 1052 C VAL A 71 0.421 -8.428 2.025 1.00 0.45 C ATOM 1053 O VAL A 71 -0.448 -8.939 2.732 1.00 0.61 O ATOM 1054 CB VAL A 71 -0.007 -5.960 1.411 1.00 0.52 C ATOM 1055 CG1 VAL A 71 -0.636 -5.769 2.796 1.00 1.39 C ATOM 1056 CG2 VAL A 71 1.388 -5.337 1.391 1.00 1.30 C ATOM 0 H VAL A 71 -2.055 -7.560 1.113 1.00 0.37 H new ATOM 0 HA VAL A 71 0.770 -7.468 0.152 1.00 0.38 H new ATOM 0 HB VAL A 71 -0.644 -5.444 0.693 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.618 -4.712 3.061 1.00 1.39 H new ATOM 0 HG12 VAL A 71 -1.667 -6.121 2.779 1.00 1.39 H new ATOM 0 HG13 VAL A 71 -0.071 -6.338 3.534 1.00 1.39 H new ATOM 0 HG21 VAL A 71 1.330 -4.303 1.730 1.00 1.30 H new ATOM 0 HG22 VAL A 71 2.047 -5.899 2.053 1.00 1.30 H new ATOM 0 HG23 VAL A 71 1.784 -5.364 0.376 1.00 1.30 H new ATOM 1066 N VAL A 72 1.711 -8.736 2.126 1.00 0.43 N ATOM 1067 CA VAL A 72 2.323 -9.596 3.123 1.00 0.51 C ATOM 1068 C VAL A 72 3.276 -8.727 3.938 1.00 0.56 C ATOM 1069 O VAL A 72 3.863 -7.782 3.418 1.00 0.62 O ATOM 1070 CB VAL A 72 3.055 -10.761 2.454 1.00 0.55 C ATOM 1071 CG1 VAL A 72 3.780 -11.658 3.467 1.00 0.69 C ATOM 1072 CG2 VAL A 72 2.082 -11.623 1.638 1.00 0.80 C ATOM 0 H VAL A 72 2.397 -8.365 1.469 1.00 0.43 H new ATOM 0 HA VAL A 72 1.570 -10.039 3.775 1.00 0.51 H new ATOM 0 HB VAL A 72 3.800 -10.314 1.796 1.00 0.55 H new ATOM 0 HG11 VAL A 72 4.283 -12.469 2.940 1.00 0.69 H new ATOM 0 HG12 VAL A 72 4.516 -11.069 4.013 1.00 0.69 H new ATOM 0 HG13 VAL A 72 3.056 -12.074 4.168 1.00 0.69 H new ATOM 0 HG21 VAL A 72 2.626 -12.444 1.172 1.00 0.80 H new ATOM 0 HG22 VAL A 72 1.312 -12.025 2.296 1.00 0.80 H new ATOM 0 HG23 VAL A 72 1.616 -11.012 0.865 1.00 0.80 H new ATOM 1082 N ILE A 73 3.412 -9.036 5.223 1.00 0.63 N ATOM 1083 CA ILE A 73 4.185 -8.255 6.174 1.00 0.77 C ATOM 1084 C ILE A 73 5.342 -9.115 6.694 1.00 0.85 C ATOM 1085 O ILE A 73 5.296 -9.641 7.802 1.00 0.97 O ATOM 1086 CB ILE A 73 3.269 -7.675 7.269 1.00 0.99 C ATOM 1087 CG1 ILE A 73 2.250 -6.689 6.679 1.00 1.23 C ATOM 1088 CG2 ILE A 73 4.059 -6.864 8.298 1.00 1.08 C ATOM 1089 CD1 ILE A 73 0.950 -7.355 6.264 1.00 1.42 C ATOM 0 H ILE A 73 2.975 -9.858 5.640 1.00 0.63 H new ATOM 0 HA ILE A 73 4.633 -7.384 5.697 1.00 0.77 H new ATOM 0 HB ILE A 73 2.784 -8.537 7.727 1.00 0.99 H new ATOM 0 HG12 ILE A 73 2.036 -5.913 7.414 1.00 1.23 H new ATOM 0 HG13 ILE A 73 2.691 -6.194 5.813 1.00 1.23 H new ATOM 0 HG21 ILE A 73 3.378 -6.472 9.053 1.00 1.08 H new ATOM 0 HG22 ILE A 73 4.800 -7.505 8.776 1.00 1.08 H new ATOM 0 HG23 ILE A 73 4.563 -6.036 7.799 1.00 1.08 H new ATOM 0 HD11 ILE A 73 0.272 -6.606 5.855 1.00 1.42 H new ATOM 0 HD12 ILE A 73 1.154 -8.112 5.506 1.00 1.42 H new ATOM 0 HD13 ILE A 73 0.489 -7.826 7.132 1.00 1.42 H new