USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 846 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 65 THR OG1 : rot -48:sc= 0.884 USER MOD Set 1.2: A 79 CYS SG : rot 19:sc= -0.234 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.29 K(o=0.53,f=-0.04) USER MOD Set 2.2: A 60 TYR OH : rot 157:sc= 0.243 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -164:sc= 1.01 (180deg=0) USER MOD Set 3.2: A 23 CYS SG : rot -140:sc= 1.07 USER MOD Set 4.1: A 3 GLN : amide:sc= 1.87 K(o=3,f=1) USER MOD Set 4.2: A 52 ASN : amide:sc= 1.17 K(o=3,f=1) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0362 USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= 1.33 (180deg=0.415) USER MOD Single : A 11 GLN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0.724 (180deg=0.694) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 70:sc= 0.05 USER MOD Single : A 30 GLN : amide:sc= 0.685 K(o=0.69,f=-0.65) USER MOD Single : A 34 SER OG : rot -89:sc= 0.234 USER MOD Single : A 35 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.41) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.01) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.208 K(o=0.21,f=-0.44) USER MOD Single : A 62 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot -39:sc= 0.049 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 106 GLN : amide:sc= 1.08 K(o=1.1,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.173 10.123 -5.914 1.00 0.00 N ATOM 2 CA ALA A 2 -4.046 11.059 -5.831 1.00 0.00 C ATOM 3 C ALA A 2 -3.468 11.272 -7.213 1.00 0.00 C ATOM 4 O ALA A 2 -3.792 10.490 -8.099 1.00 0.00 O ATOM 5 CB ALA A 2 -3.050 10.732 -4.734 1.00 0.00 C ATOM 0 HA ALA A 2 -4.414 12.028 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.248 11.470 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.554 10.750 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.631 9.740 -4.906 1.00 0.00 H new ATOM 13 N GLN A 3 -2.729 12.371 -7.401 1.00 0.00 N ATOM 14 CA GLN A 3 -2.274 12.869 -8.699 1.00 0.00 C ATOM 15 C GLN A 3 -1.639 11.769 -9.541 1.00 0.00 C ATOM 16 O GLN A 3 -1.185 10.772 -8.988 1.00 0.00 O ATOM 17 CB GLN A 3 -1.339 14.069 -8.518 1.00 0.00 C ATOM 18 CG GLN A 3 -0.401 14.009 -7.306 1.00 0.00 C ATOM 19 CD GLN A 3 0.529 15.213 -7.257 1.00 0.00 C ATOM 20 OE1 GLN A 3 1.735 15.062 -7.380 1.00 0.00 O ATOM 21 NE2 GLN A 3 -0.003 16.408 -7.088 1.00 0.00 N ATOM 0 H GLN A 3 -2.422 12.957 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.149 13.210 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.733 14.172 -9.418 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.947 14.970 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.991 13.967 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.190 13.094 -7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.013 16.507 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.596 17.233 -7.058 1.00 0.00 H new ATOM 30 N GLU A 4 -1.597 11.959 -10.860 1.00 0.00 N ATOM 31 CA GLU A 4 -1.458 10.870 -11.820 1.00 0.00 C ATOM 32 C GLU A 4 -0.332 9.873 -11.540 1.00 0.00 C ATOM 33 O GLU A 4 -0.534 8.692 -11.807 1.00 0.00 O ATOM 34 CB GLU A 4 -1.407 11.412 -13.257 1.00 0.00 C ATOM 35 CG GLU A 4 -1.793 10.341 -14.298 1.00 0.00 C ATOM 36 CD GLU A 4 -3.216 9.794 -14.127 1.00 0.00 C ATOM 37 OE1 GLU A 4 -4.091 10.493 -13.561 1.00 0.00 O ATOM 38 OE2 GLU A 4 -3.517 8.680 -14.612 1.00 0.00 O ATOM 0 H GLU A 4 -1.659 12.881 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.360 10.271 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.082 12.263 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.403 11.778 -13.470 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.695 10.767 -15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.086 9.514 -14.234 1.00 0.00 H new ATOM 45 N PHE A 5 0.790 10.277 -10.939 1.00 0.00 N ATOM 46 CA PHE A 5 1.828 9.336 -10.533 1.00 0.00 C ATOM 47 C PHE A 5 1.297 8.225 -9.615 1.00 0.00 C ATOM 48 O PHE A 5 1.725 7.088 -9.790 1.00 0.00 O ATOM 49 CB PHE A 5 3.015 10.064 -9.902 1.00 0.00 C ATOM 50 CG PHE A 5 4.231 9.175 -9.712 1.00 0.00 C ATOM 51 CD1 PHE A 5 5.151 9.007 -10.767 1.00 0.00 C ATOM 52 CD2 PHE A 5 4.446 8.513 -8.489 1.00 0.00 C ATOM 53 CE1 PHE A 5 6.279 8.185 -10.598 1.00 0.00 C ATOM 54 CE2 PHE A 5 5.577 7.695 -8.319 1.00 0.00 C ATOM 55 CZ PHE A 5 6.494 7.532 -9.372 1.00 0.00 C ATOM 0 H PHE A 5 1.000 11.252 -10.724 1.00 0.00 H new ATOM 0 HA PHE A 5 2.176 8.843 -11.440 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.288 10.912 -10.530 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.713 10.467 -8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.989 9.511 -11.708 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.741 8.633 -7.680 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.980 8.055 -11.410 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.741 7.191 -7.378 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.363 6.905 -9.239 1.00 0.00 H new ATOM 65 N VAL A 6 0.363 8.507 -8.695 1.00 0.00 N ATOM 66 CA VAL A 6 -0.370 7.518 -7.902 1.00 0.00 C ATOM 67 C VAL A 6 -1.224 6.656 -8.828 1.00 0.00 C ATOM 68 O VAL A 6 -1.153 5.424 -8.771 1.00 0.00 O ATOM 69 CB VAL A 6 -1.222 8.232 -6.809 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.521 7.496 -6.413 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.341 8.491 -5.581 1.00 0.00 C ATOM 0 H VAL A 6 0.090 9.465 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 6 0.330 6.861 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.565 9.170 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.045 8.069 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.161 7.391 -7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.275 6.509 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.928 8.990 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.033 7.543 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.500 9.124 -5.864 1.00 0.00 H new ATOM 81 N ASN A 7 -2.079 7.288 -9.636 1.00 0.00 N ATOM 82 CA ASN A 7 -3.094 6.556 -10.385 1.00 0.00 C ATOM 83 C ASN A 7 -2.414 5.594 -11.359 1.00 0.00 C ATOM 84 O ASN A 7 -2.812 4.435 -11.476 1.00 0.00 O ATOM 85 CB ASN A 7 -4.056 7.503 -11.117 1.00 0.00 C ATOM 86 CG ASN A 7 -4.867 8.385 -10.175 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.290 7.950 -9.104 1.00 0.00 O ATOM 88 ND2 ASN A 7 -5.111 9.626 -10.551 1.00 0.00 N ATOM 0 H ASN A 7 -2.086 8.297 -9.785 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.697 5.982 -9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.485 8.137 -11.795 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.738 6.914 -11.730 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.658 10.243 -9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.752 9.969 -11.442 1.00 0.00 H new ATOM 95 N CYS A 8 -1.327 6.031 -11.990 1.00 0.00 N ATOM 96 CA CYS A 8 -0.478 5.270 -12.888 1.00 0.00 C ATOM 97 C CYS A 8 0.531 4.395 -12.117 1.00 0.00 C ATOM 98 O CYS A 8 1.684 4.273 -12.532 1.00 0.00 O ATOM 99 CB CYS A 8 0.187 6.251 -13.865 1.00 0.00 C ATOM 100 SG CYS A 8 0.736 5.336 -15.330 1.00 0.00 S ATOM 0 H CYS A 8 -0.999 6.990 -11.877 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.075 4.562 -13.462 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.516 7.034 -14.151 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.035 6.742 -13.388 1.00 0.00 H new ATOM 0 HG CYS A 8 1.300 6.155 -16.167 1.00 0.00 H new ATOM 106 N LYS A 9 0.126 3.793 -10.994 1.00 0.00 N ATOM 107 CA LYS A 9 0.794 2.619 -10.413 1.00 0.00 C ATOM 108 C LYS A 9 -0.234 1.555 -10.093 1.00 0.00 C ATOM 109 O LYS A 9 -0.001 0.387 -10.398 1.00 0.00 O ATOM 110 CB LYS A 9 1.601 2.917 -9.131 1.00 0.00 C ATOM 111 CG LYS A 9 2.703 3.961 -9.292 1.00 0.00 C ATOM 112 CD LYS A 9 3.860 3.579 -10.226 1.00 0.00 C ATOM 113 CE LYS A 9 4.663 4.822 -10.643 1.00 0.00 C ATOM 114 NZ LYS A 9 3.846 5.798 -11.403 1.00 0.00 N ATOM 0 H LYS A 9 -0.682 4.108 -10.456 1.00 0.00 H new ATOM 0 HA LYS A 9 1.506 2.283 -11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.912 3.254 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.049 1.988 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.252 4.882 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.115 4.181 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.517 2.868 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.468 3.081 -11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.066 5.306 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.514 4.514 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.468 6.386 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.172 5.289 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.324 6.405 -10.739 1.00 0.00 H new ATOM 128 N ILE A 10 -1.343 1.915 -9.432 1.00 0.00 N ATOM 129 CA ILE A 10 -2.238 0.891 -8.946 1.00 0.00 C ATOM 130 C ILE A 10 -2.934 0.278 -10.156 1.00 0.00 C ATOM 131 O ILE A 10 -3.458 0.981 -11.022 1.00 0.00 O ATOM 132 CB ILE A 10 -3.274 1.431 -7.951 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.846 2.621 -7.065 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.692 0.286 -7.019 1.00 0.00 C ATOM 135 CD1 ILE A 10 -4.004 3.606 -7.002 1.00 0.00 C ATOM 0 H ILE A 10 -1.624 2.875 -9.233 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.659 0.146 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.076 1.817 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.585 2.276 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.959 3.102 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.429 0.650 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.126 -0.522 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.818 -0.084 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.725 4.457 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.241 3.954 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.877 3.114 -6.573 1.00 0.00 H new ATOM 147 N GLN A 11 -2.977 -1.040 -10.171 1.00 0.00 N ATOM 148 CA GLN A 11 -3.723 -1.870 -11.091 1.00 0.00 C ATOM 149 C GLN A 11 -4.306 -3.002 -10.237 1.00 0.00 C ATOM 150 O GLN A 11 -3.829 -3.223 -9.113 1.00 0.00 O ATOM 151 CB GLN A 11 -2.778 -2.396 -12.197 1.00 0.00 C ATOM 152 CG GLN A 11 -1.460 -2.964 -11.648 1.00 0.00 C ATOM 153 CD GLN A 11 -0.754 -3.935 -12.597 1.00 0.00 C ATOM 154 OE1 GLN A 11 -0.075 -3.552 -13.547 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.884 -5.221 -12.335 1.00 0.00 N ATOM 0 H GLN A 11 -2.455 -1.595 -9.493 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.521 -1.331 -11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.291 -3.171 -12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.556 -1.586 -12.891 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.786 -2.137 -11.424 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.661 -3.475 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.451 -5.525 -11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.418 -5.911 -12.924 1.00 0.00 H new ATOM 164 N PRO A 12 -5.287 -3.767 -10.732 1.00 0.00 N ATOM 165 CA PRO A 12 -5.548 -5.082 -10.179 1.00 0.00 C ATOM 166 C PRO A 12 -4.282 -5.932 -10.358 1.00 0.00 C ATOM 167 O PRO A 12 -3.444 -5.663 -11.224 1.00 0.00 O ATOM 168 CB PRO A 12 -6.756 -5.621 -10.955 1.00 0.00 C ATOM 169 CG PRO A 12 -6.705 -4.867 -12.285 1.00 0.00 C ATOM 170 CD PRO A 12 -6.107 -3.516 -11.902 1.00 0.00 C ATOM 0 HA PRO A 12 -5.778 -5.084 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.687 -6.699 -11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.689 -5.432 -10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.088 -5.386 -13.018 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.697 -4.758 -12.723 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.511 -3.106 -12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.889 -2.789 -11.683 1.00 0.00 H new ATOM 178 N GLY A 13 -4.118 -6.966 -9.539 1.00 0.00 N ATOM 179 CA GLY A 13 -3.021 -7.913 -9.717 1.00 0.00 C ATOM 180 C GLY A 13 -1.632 -7.378 -9.341 1.00 0.00 C ATOM 181 O GLY A 13 -0.635 -7.961 -9.748 1.00 0.00 O ATOM 0 H GLY A 13 -4.728 -7.170 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.226 -8.800 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.001 -8.231 -10.760 1.00 0.00 H new ATOM 185 N LYS A 14 -1.538 -6.279 -8.580 1.00 0.00 N ATOM 186 CA LYS A 14 -0.309 -5.771 -7.957 1.00 0.00 C ATOM 187 C LYS A 14 -0.630 -5.369 -6.521 1.00 0.00 C ATOM 188 O LYS A 14 -1.803 -5.169 -6.203 1.00 0.00 O ATOM 189 CB LYS A 14 0.256 -4.590 -8.775 1.00 0.00 C ATOM 190 CG LYS A 14 1.775 -4.621 -8.989 1.00 0.00 C ATOM 191 CD LYS A 14 2.224 -3.459 -9.892 1.00 0.00 C ATOM 192 CE LYS A 14 3.735 -3.504 -10.143 1.00 0.00 C ATOM 193 NZ LYS A 14 4.222 -2.275 -10.806 1.00 0.00 N ATOM 0 H LYS A 14 -2.349 -5.696 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 14 0.461 -6.542 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.233 -4.574 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.006 -3.660 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.284 -4.557 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.064 -5.570 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.693 -3.508 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.958 -2.510 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.256 -3.636 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.974 -4.369 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.259 -2.309 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.808 -2.206 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.942 -1.444 -10.246 1.00 0.00 H new ATOM 207 N VAL A 15 0.374 -5.226 -5.660 1.00 0.00 N ATOM 208 CA VAL A 15 0.206 -4.854 -4.263 1.00 0.00 C ATOM 209 C VAL A 15 0.969 -3.550 -4.052 1.00 0.00 C ATOM 210 O VAL A 15 2.109 -3.530 -3.598 1.00 0.00 O ATOM 211 CB VAL A 15 0.647 -5.997 -3.329 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.270 -5.625 -1.894 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.008 -7.335 -3.687 1.00 0.00 C ATOM 0 H VAL A 15 1.349 -5.370 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.842 -4.688 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 15 1.724 -6.122 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.575 -6.424 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.774 -4.700 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.809 -5.485 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.338 -8.105 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.091 -7.241 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.263 -7.612 -4.706 1.00 0.00 H new ATOM 223 N VAL A 16 0.357 -2.448 -4.456 1.00 0.00 N ATOM 224 CA VAL A 16 0.988 -1.143 -4.455 1.00 0.00 C ATOM 225 C VAL A 16 0.700 -0.506 -3.101 1.00 0.00 C ATOM 226 O VAL A 16 -0.427 -0.541 -2.615 1.00 0.00 O ATOM 227 CB VAL A 16 0.466 -0.382 -5.684 1.00 0.00 C ATOM 228 CG1 VAL A 16 0.736 1.126 -5.660 1.00 0.00 C ATOM 229 CG2 VAL A 16 1.137 -1.014 -6.916 1.00 0.00 C ATOM 0 H VAL A 16 -0.604 -2.437 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 16 2.073 -1.158 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.620 -0.471 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.334 1.582 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.256 1.568 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.811 1.303 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.796 -0.505 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.219 -0.916 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.872 -2.070 -6.973 1.00 0.00 H new ATOM 239 N VAL A 17 1.717 0.053 -2.459 1.00 0.00 N ATOM 240 CA VAL A 17 1.607 0.620 -1.131 1.00 0.00 C ATOM 241 C VAL A 17 2.239 1.991 -1.198 1.00 0.00 C ATOM 242 O VAL A 17 3.450 2.095 -1.376 1.00 0.00 O ATOM 243 CB VAL A 17 2.288 -0.277 -0.089 1.00 0.00 C ATOM 244 CG1 VAL A 17 1.971 0.250 1.320 1.00 0.00 C ATOM 245 CG2 VAL A 17 1.863 -1.744 -0.220 1.00 0.00 C ATOM 0 H VAL A 17 2.654 0.124 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 17 0.566 0.696 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 17 3.363 -0.243 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.453 -0.385 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.342 1.270 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.893 0.239 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.371 -2.339 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.785 -1.824 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.130 -2.113 -1.210 1.00 0.00 H new ATOM 255 N PHE A 18 1.434 3.041 -1.087 1.00 0.00 N ATOM 256 CA PHE A 18 1.987 4.385 -1.051 1.00 0.00 C ATOM 257 C PHE A 18 2.592 4.573 0.343 1.00 0.00 C ATOM 258 O PHE A 18 1.954 4.240 1.349 1.00 0.00 O ATOM 259 CB PHE A 18 0.910 5.416 -1.418 1.00 0.00 C ATOM 260 CG PHE A 18 0.431 5.214 -2.837 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.319 5.469 -3.899 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.854 4.706 -3.098 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.936 5.188 -5.219 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.241 4.451 -4.424 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.342 4.681 -5.479 1.00 0.00 C ATOM 0 H PHE A 18 0.417 2.989 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 18 2.773 4.534 -1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.069 5.330 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.312 6.423 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.297 5.882 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.538 4.513 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.625 5.362 -6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.232 4.077 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.639 4.466 -6.495 1.00 0.00 H new ATOM 275 N ILE A 19 3.838 5.037 0.404 1.00 0.00 N ATOM 276 CA ILE A 19 4.661 5.153 1.605 1.00 0.00 C ATOM 277 C ILE A 19 5.544 6.394 1.510 1.00 0.00 C ATOM 278 O ILE A 19 5.545 7.076 0.493 1.00 0.00 O ATOM 279 CB ILE A 19 5.566 3.907 1.765 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.570 3.709 0.601 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.742 2.639 2.006 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.016 3.587 1.098 1.00 0.00 C ATOM 0 H ILE A 19 4.328 5.360 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 19 3.999 5.231 2.467 1.00 0.00 H new ATOM 0 HB ILE A 19 6.170 4.099 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.303 2.812 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.494 4.550 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.411 1.785 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.153 2.755 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.074 2.473 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.683 3.450 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.294 4.494 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.100 2.730 1.767 1.00 0.00 H new ATOM 294 N LYS A 20 6.358 6.656 2.528 1.00 0.00 N ATOM 295 CA LYS A 20 7.542 7.497 2.410 1.00 0.00 C ATOM 296 C LYS A 20 8.647 6.849 3.249 1.00 0.00 C ATOM 297 O LYS A 20 8.325 6.152 4.216 1.00 0.00 O ATOM 298 CB LYS A 20 7.241 8.953 2.799 1.00 0.00 C ATOM 299 CG LYS A 20 6.469 9.195 4.101 1.00 0.00 C ATOM 300 CD LYS A 20 6.241 10.701 4.332 1.00 0.00 C ATOM 301 CE LYS A 20 4.766 11.102 4.274 1.00 0.00 C ATOM 302 NZ LYS A 20 4.140 11.187 5.608 1.00 0.00 N ATOM 0 H LYS A 20 6.212 6.286 3.467 1.00 0.00 H new ATOM 0 HA LYS A 20 7.879 7.559 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.190 9.485 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.678 9.409 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.509 8.680 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.022 8.774 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.649 10.979 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.794 11.265 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.677 12.067 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.221 10.378 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.105 11.192 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.428 10.367 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.445 12.062 6.080 1.00 0.00 H new ATOM 316 N PRO A 21 9.936 7.021 2.911 1.00 0.00 N ATOM 317 CA PRO A 21 11.034 6.510 3.720 1.00 0.00 C ATOM 318 C PRO A 21 11.248 7.361 4.983 1.00 0.00 C ATOM 319 O PRO A 21 11.968 6.935 5.887 1.00 0.00 O ATOM 320 CB PRO A 21 12.266 6.550 2.813 1.00 0.00 C ATOM 321 CG PRO A 21 11.969 7.727 1.894 1.00 0.00 C ATOM 322 CD PRO A 21 10.454 7.651 1.711 1.00 0.00 C ATOM 0 HA PRO A 21 10.827 5.500 4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.183 6.703 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.388 5.622 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.274 8.674 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.495 7.639 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.027 8.645 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.197 7.072 0.824 1.00 0.00 H new ATOM 330 N THR A 22 10.680 8.566 5.055 1.00 0.00 N ATOM 331 CA THR A 22 10.737 9.441 6.217 1.00 0.00 C ATOM 332 C THR A 22 9.902 8.854 7.361 1.00 0.00 C ATOM 333 O THR A 22 10.419 8.714 8.468 1.00 0.00 O ATOM 334 CB THR A 22 10.289 10.857 5.799 1.00 0.00 C ATOM 335 OG1 THR A 22 9.303 10.802 4.780 1.00 0.00 O ATOM 336 CG2 THR A 22 11.468 11.636 5.218 1.00 0.00 C ATOM 0 H THR A 22 10.153 8.968 4.280 1.00 0.00 H new ATOM 0 HA THR A 22 11.757 9.518 6.594 1.00 0.00 H new ATOM 0 HB THR A 22 9.893 11.339 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.035 11.712 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.137 12.633 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.254 11.719 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.854 11.113 4.343 1.00 0.00 H new ATOM 344 N CYS A 23 8.645 8.478 7.095 1.00 0.00 N ATOM 345 CA CYS A 23 7.748 7.820 8.029 1.00 0.00 C ATOM 346 C CYS A 23 8.312 6.462 8.488 1.00 0.00 C ATOM 347 O CYS A 23 8.236 5.505 7.711 1.00 0.00 O ATOM 348 CB CYS A 23 6.390 7.609 7.328 1.00 0.00 C ATOM 349 SG CYS A 23 5.284 9.026 7.308 1.00 0.00 S ATOM 0 H CYS A 23 8.216 8.634 6.183 1.00 0.00 H new ATOM 0 HA CYS A 23 7.634 8.446 8.914 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.579 7.306 6.298 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.877 6.780 7.815 1.00 0.00 H new ATOM 0 HG CYS A 23 4.064 8.627 7.513 1.00 0.00 H new ATOM 354 N PRO A 24 8.754 6.296 9.743 1.00 0.00 N ATOM 355 CA PRO A 24 9.204 5.004 10.237 1.00 0.00 C ATOM 356 C PRO A 24 8.045 4.006 10.290 1.00 0.00 C ATOM 357 O PRO A 24 8.274 2.801 10.201 1.00 0.00 O ATOM 358 CB PRO A 24 9.809 5.287 11.611 1.00 0.00 C ATOM 359 CG PRO A 24 9.037 6.510 12.104 1.00 0.00 C ATOM 360 CD PRO A 24 8.716 7.271 10.820 1.00 0.00 C ATOM 0 HA PRO A 24 9.942 4.540 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.687 4.439 12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.878 5.489 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.131 6.224 12.638 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.634 7.112 12.789 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.735 7.742 10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.441 8.067 10.649 1.00 0.00 H new ATOM 368 N TYR A 25 6.792 4.466 10.319 1.00 0.00 N ATOM 369 CA TYR A 25 5.641 3.578 10.350 1.00 0.00 C ATOM 370 C TYR A 25 5.420 2.909 8.995 1.00 0.00 C ATOM 371 O TYR A 25 4.865 1.814 8.938 1.00 0.00 O ATOM 372 CB TYR A 25 4.410 4.381 10.762 1.00 0.00 C ATOM 373 CG TYR A 25 4.344 4.628 12.255 1.00 0.00 C ATOM 374 CD1 TYR A 25 3.944 3.573 13.092 1.00 0.00 C ATOM 375 CD2 TYR A 25 4.693 5.872 12.819 1.00 0.00 C ATOM 376 CE1 TYR A 25 3.811 3.773 14.472 1.00 0.00 C ATOM 377 CE2 TYR A 25 4.596 6.070 14.209 1.00 0.00 C ATOM 378 CZ TYR A 25 4.115 5.031 15.035 1.00 0.00 C ATOM 379 OH TYR A 25 3.918 5.239 16.363 1.00 0.00 O ATOM 0 H TYR A 25 6.554 5.458 10.322 1.00 0.00 H new ATOM 0 HA TYR A 25 5.822 2.785 11.075 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.414 5.338 10.240 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.512 3.849 10.446 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.738 2.601 12.669 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.036 6.675 12.183 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.476 2.965 15.105 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.889 7.015 14.643 1.00 0.00 H new ATOM 0 HH TYR A 25 4.177 6.156 16.592 1.00 0.00 H new ATOM 389 N CYS A 26 5.927 3.495 7.900 1.00 0.00 N ATOM 390 CA CYS A 26 5.927 2.805 6.618 1.00 0.00 C ATOM 391 C CYS A 26 6.890 1.613 6.671 1.00 0.00 C ATOM 392 O CYS A 26 6.606 0.572 6.078 1.00 0.00 O ATOM 393 CB CYS A 26 6.304 3.774 5.499 1.00 0.00 C ATOM 394 SG CYS A 26 4.930 4.906 5.157 1.00 0.00 S ATOM 0 H CYS A 26 6.334 4.430 7.883 1.00 0.00 H new ATOM 0 HA CYS A 26 4.926 2.427 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.190 4.342 5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.559 3.217 4.597 1.00 0.00 H new ATOM 0 HG CYS A 26 4.786 5.728 6.154 1.00 0.00 H new ATOM 400 N ARG A 27 7.986 1.728 7.426 1.00 0.00 N ATOM 401 CA ARG A 27 8.967 0.663 7.598 1.00 0.00 C ATOM 402 C ARG A 27 8.360 -0.562 8.281 1.00 0.00 C ATOM 403 O ARG A 27 8.796 -1.683 8.012 1.00 0.00 O ATOM 404 CB ARG A 27 10.157 1.172 8.422 1.00 0.00 C ATOM 405 CG ARG A 27 11.449 0.447 8.040 1.00 0.00 C ATOM 406 CD ARG A 27 12.414 0.376 9.229 1.00 0.00 C ATOM 407 NE ARG A 27 13.805 0.195 8.783 1.00 0.00 N ATOM 408 CZ ARG A 27 14.335 -0.824 8.095 1.00 0.00 C ATOM 409 NH1 ARG A 27 13.654 -1.946 7.889 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.563 -0.692 7.603 1.00 0.00 N ATOM 0 H ARG A 27 8.216 2.578 7.941 1.00 0.00 H new ATOM 0 HA ARG A 27 9.304 0.364 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.279 2.244 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.956 1.026 9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.216 -0.561 7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.928 0.965 7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.335 1.290 9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.129 -0.449 9.881 1.00 0.00 H new ATOM 0 HE ARG A 27 14.450 0.945 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.708 -2.043 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.077 -2.710 7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.082 0.173 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.986 -1.456 7.076 1.00 0.00 H new ATOM 424 N ARG A 28 7.353 -0.380 9.146 1.00 0.00 N ATOM 425 CA ARG A 28 6.600 -1.522 9.659 1.00 0.00 C ATOM 426 C ARG A 28 5.956 -2.244 8.502 1.00 0.00 C ATOM 427 O ARG A 28 6.198 -3.434 8.326 1.00 0.00 O ATOM 428 CB ARG A 28 5.527 -1.116 10.675 1.00 0.00 C ATOM 429 CG ARG A 28 4.714 -2.330 11.195 1.00 0.00 C ATOM 430 CD ARG A 28 5.313 -3.030 12.427 1.00 0.00 C ATOM 431 NE ARG A 28 6.214 -4.142 12.071 1.00 0.00 N ATOM 432 CZ ARG A 28 7.548 -4.131 11.965 1.00 0.00 C ATOM 433 NH1 ARG A 28 8.240 -3.025 12.208 1.00 0.00 N ATOM 434 NH2 ARG A 28 8.182 -5.235 11.590 1.00 0.00 N ATOM 0 H ARG A 28 7.049 0.528 9.497 1.00 0.00 H new ATOM 0 HA ARG A 28 7.301 -2.173 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.001 -0.612 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.848 -0.398 10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.706 -1.996 11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.622 -3.059 10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.862 -2.300 13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.505 -3.409 13.052 1.00 0.00 H new ATOM 0 HE ARG A 28 5.761 -5.036 11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.755 -2.169 12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.256 -3.030 12.123 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.653 -6.083 11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.199 -5.236 11.506 1.00 0.00 H new ATOM 448 N ALA A 29 5.106 -1.532 7.763 1.00 0.00 N ATOM 449 CA ALA A 29 4.333 -2.119 6.679 1.00 0.00 C ATOM 450 C ALA A 29 5.221 -2.859 5.688 1.00 0.00 C ATOM 451 O ALA A 29 4.774 -3.862 5.147 1.00 0.00 O ATOM 452 CB ALA A 29 3.531 -1.062 5.935 1.00 0.00 C ATOM 0 H ALA A 29 4.937 -0.536 7.901 1.00 0.00 H new ATOM 0 HA ALA A 29 3.649 -2.832 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.965 -1.533 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.843 -0.574 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.209 -0.320 5.514 1.00 0.00 H new ATOM 458 N GLN A 30 6.455 -2.401 5.456 1.00 0.00 N ATOM 459 CA GLN A 30 7.430 -3.132 4.686 1.00 0.00 C ATOM 460 C GLN A 30 7.636 -4.536 5.197 1.00 0.00 C ATOM 461 O GLN A 30 7.523 -5.459 4.407 1.00 0.00 O ATOM 462 CB GLN A 30 8.781 -2.394 4.648 1.00 0.00 C ATOM 463 CG GLN A 30 8.899 -1.631 3.341 1.00 0.00 C ATOM 464 CD GLN A 30 8.433 -0.184 3.467 1.00 0.00 C ATOM 465 OE1 GLN A 30 9.054 0.644 4.124 1.00 0.00 O ATOM 466 NE2 GLN A 30 7.331 0.162 2.835 1.00 0.00 N ATOM 0 H GLN A 30 6.794 -1.505 5.806 1.00 0.00 H new ATOM 0 HA GLN A 30 7.028 -3.198 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.857 -1.708 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.600 -3.107 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.936 -1.648 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.309 -2.134 2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.817 -0.530 2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.991 1.122 2.891 1.00 0.00 H new ATOM 475 N GLU A 31 7.992 -4.691 6.464 1.00 0.00 N ATOM 476 CA GLU A 31 8.355 -5.979 7.018 1.00 0.00 C ATOM 477 C GLU A 31 7.115 -6.844 7.198 1.00 0.00 C ATOM 478 O GLU A 31 7.140 -8.024 6.869 1.00 0.00 O ATOM 479 CB GLU A 31 9.079 -5.751 8.354 1.00 0.00 C ATOM 480 CG GLU A 31 10.517 -6.266 8.273 1.00 0.00 C ATOM 481 CD GLU A 31 11.299 -6.167 9.588 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.703 -5.969 10.671 1.00 0.00 O ATOM 483 OE2 GLU A 31 12.543 -6.327 9.543 1.00 0.00 O ATOM 0 H GLU A 31 8.036 -3.924 7.134 1.00 0.00 H new ATOM 0 HA GLU A 31 9.023 -6.507 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.079 -4.689 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.547 -6.263 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.500 -7.308 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.049 -5.704 7.505 1.00 0.00 H new ATOM 490 N ILE A 32 6.024 -6.239 7.670 1.00 0.00 N ATOM 491 CA ILE A 32 4.707 -6.850 7.750 1.00 0.00 C ATOM 492 C ILE A 32 4.369 -7.462 6.398 1.00 0.00 C ATOM 493 O ILE A 32 4.063 -8.651 6.330 1.00 0.00 O ATOM 494 CB ILE A 32 3.692 -5.775 8.205 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.724 -5.689 9.745 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.250 -5.981 7.727 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.618 -4.831 10.378 1.00 0.00 C ATOM 0 H ILE A 32 6.039 -5.280 8.017 1.00 0.00 H new ATOM 0 HA ILE A 32 4.676 -7.656 8.483 1.00 0.00 H new ATOM 0 HB ILE A 32 4.009 -4.845 7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.655 -6.698 10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.691 -5.289 10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.623 -5.172 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.225 -5.984 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.875 -6.934 8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.729 -4.836 11.462 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.695 -3.808 10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.643 -5.240 10.112 1.00 0.00 H new ATOM 509 N LEU A 33 4.377 -6.652 5.332 1.00 0.00 N ATOM 510 CA LEU A 33 3.884 -7.139 4.062 1.00 0.00 C ATOM 511 C LEU A 33 4.926 -8.063 3.437 1.00 0.00 C ATOM 512 O LEU A 33 4.534 -9.107 2.923 1.00 0.00 O ATOM 513 CB LEU A 33 3.472 -6.022 3.082 1.00 0.00 C ATOM 514 CG LEU A 33 2.014 -5.515 3.217 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.739 -4.449 2.162 1.00 0.00 C ATOM 516 CD2 LEU A 33 0.982 -6.636 3.018 1.00 0.00 C ATOM 0 H LEU A 33 4.710 -5.688 5.332 1.00 0.00 H new ATOM 0 HA LEU A 33 2.967 -7.692 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.146 -5.176 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.619 -6.384 2.064 1.00 0.00 H new ATOM 0 HG LEU A 33 1.915 -5.117 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.713 -4.096 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.425 -3.614 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.882 -4.875 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.023 -6.228 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.098 -7.065 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.138 -7.412 3.767 1.00 0.00 H new ATOM 528 N SER A 34 6.228 -7.723 3.460 1.00 0.00 N ATOM 529 CA SER A 34 7.215 -8.606 2.833 1.00 0.00 C ATOM 530 C SER A 34 7.355 -9.970 3.521 1.00 0.00 C ATOM 531 O SER A 34 7.832 -10.913 2.887 1.00 0.00 O ATOM 532 CB SER A 34 8.581 -7.932 2.713 1.00 0.00 C ATOM 533 OG SER A 34 9.219 -7.779 3.965 1.00 0.00 O ATOM 0 H SER A 34 6.606 -6.878 3.888 1.00 0.00 H new ATOM 0 HA SER A 34 6.825 -8.800 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.218 -8.522 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.461 -6.954 2.248 1.00 0.00 H new ATOM 0 HG SER A 34 8.952 -6.925 4.366 1.00 0.00 H new ATOM 539 N GLN A 35 6.952 -10.116 4.791 1.00 0.00 N ATOM 540 CA GLN A 35 7.021 -11.408 5.464 1.00 0.00 C ATOM 541 C GLN A 35 5.936 -12.347 4.942 1.00 0.00 C ATOM 542 O GLN A 35 6.082 -13.567 5.083 1.00 0.00 O ATOM 543 CB GLN A 35 6.857 -11.252 6.984 1.00 0.00 C ATOM 544 CG GLN A 35 8.191 -10.950 7.684 1.00 0.00 C ATOM 545 CD GLN A 35 8.040 -10.831 9.201 1.00 0.00 C ATOM 546 OE1 GLN A 35 8.567 -9.915 9.832 1.00 0.00 O ATOM 547 NE2 GLN A 35 7.381 -11.777 9.849 1.00 0.00 N ATOM 0 H GLN A 35 6.579 -9.359 5.364 1.00 0.00 H new ATOM 0 HA GLN A 35 8.003 -11.831 5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.150 -10.448 7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.431 -12.166 7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.906 -11.740 7.454 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.603 -10.022 7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.942 -12.539 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.312 -11.745 10.866 1.00 0.00 H new ATOM 556 N LEU A 36 4.863 -11.825 4.353 1.00 0.00 N ATOM 557 CA LEU A 36 3.841 -12.644 3.734 1.00 0.00 C ATOM 558 C LEU A 36 4.355 -13.068 2.349 1.00 0.00 C ATOM 559 O LEU A 36 5.010 -12.266 1.672 1.00 0.00 O ATOM 560 CB LEU A 36 2.530 -11.848 3.654 1.00 0.00 C ATOM 561 CG LEU A 36 2.025 -11.303 5.007 1.00 0.00 C ATOM 562 CD1 LEU A 36 0.691 -10.578 4.817 1.00 0.00 C ATOM 563 CD2 LEU A 36 1.864 -12.372 6.095 1.00 0.00 C ATOM 0 H LEU A 36 4.684 -10.823 4.295 1.00 0.00 H new ATOM 0 HA LEU A 36 3.634 -13.541 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.670 -11.011 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.758 -12.486 3.224 1.00 0.00 H new ATOM 0 HG LEU A 36 2.798 -10.617 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.344 -10.197 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.824 -9.747 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.046 -11.272 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.506 -11.906 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.146 -13.122 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.826 -12.849 6.282 1.00 0.00 H new ATOM 575 N PRO A 37 4.081 -14.306 1.903 1.00 0.00 N ATOM 576 CA PRO A 37 4.415 -14.736 0.556 1.00 0.00 C ATOM 577 C PRO A 37 3.615 -13.928 -0.468 1.00 0.00 C ATOM 578 O PRO A 37 2.395 -13.847 -0.364 1.00 0.00 O ATOM 579 CB PRO A 37 4.115 -16.240 0.489 1.00 0.00 C ATOM 580 CG PRO A 37 3.393 -16.607 1.787 1.00 0.00 C ATOM 581 CD PRO A 37 3.420 -15.355 2.659 1.00 0.00 C ATOM 0 HA PRO A 37 5.465 -14.564 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.495 -16.472 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.036 -16.813 0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.368 -16.920 1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.889 -17.440 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.407 -15.053 2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.952 -15.549 3.590 1.00 0.00 H new ATOM 589 N ILE A 38 4.255 -13.317 -1.463 1.00 0.00 N ATOM 590 CA ILE A 38 3.571 -12.644 -2.565 1.00 0.00 C ATOM 591 C ILE A 38 4.463 -12.846 -3.797 1.00 0.00 C ATOM 592 O ILE A 38 5.675 -13.067 -3.677 1.00 0.00 O ATOM 593 CB ILE A 38 3.465 -11.129 -2.179 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.274 -10.776 -1.258 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.335 -10.168 -3.376 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.684 -10.561 0.198 1.00 0.00 C ATOM 0 H ILE A 38 5.272 -13.275 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 38 2.570 -13.026 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 38 4.415 -10.991 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.790 -9.873 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.535 -11.576 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.268 -9.142 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.209 -10.269 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.437 -10.412 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.803 -10.317 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.141 -11.471 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.400 -9.742 0.257 1.00 0.00 H new ATOM 608 N LYS A 39 3.884 -12.743 -4.994 1.00 0.00 N ATOM 609 CA LYS A 39 4.596 -12.825 -6.251 1.00 0.00 C ATOM 610 C LYS A 39 5.613 -11.695 -6.338 1.00 0.00 C ATOM 611 O LYS A 39 5.272 -10.533 -6.114 1.00 0.00 O ATOM 612 CB LYS A 39 3.615 -12.837 -7.428 1.00 0.00 C ATOM 613 CG LYS A 39 3.402 -14.269 -7.936 1.00 0.00 C ATOM 614 CD LYS A 39 4.413 -14.704 -9.004 1.00 0.00 C ATOM 615 CE LYS A 39 4.319 -13.841 -10.269 1.00 0.00 C ATOM 616 NZ LYS A 39 3.860 -14.584 -11.455 1.00 0.00 N ATOM 0 H LYS A 39 2.881 -12.597 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 39 5.147 -13.764 -6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.661 -12.409 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.998 -12.212 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.461 -14.956 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.396 -14.353 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.422 -14.640 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.239 -15.748 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.637 -13.012 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.297 -13.408 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.819 -13.942 -12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.523 -15.360 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.913 -14.975 -11.275 1.00 0.00 H new ATOM 630 N GLN A 40 6.868 -12.024 -6.631 1.00 0.00 N ATOM 631 CA GLN A 40 7.936 -11.051 -6.485 1.00 0.00 C ATOM 632 C GLN A 40 7.725 -9.893 -7.461 1.00 0.00 C ATOM 633 O GLN A 40 7.579 -10.108 -8.667 1.00 0.00 O ATOM 634 CB GLN A 40 9.309 -11.717 -6.673 1.00 0.00 C ATOM 635 CG GLN A 40 10.403 -10.935 -5.928 1.00 0.00 C ATOM 636 CD GLN A 40 10.149 -10.965 -4.423 1.00 0.00 C ATOM 637 OE1 GLN A 40 10.046 -12.039 -3.838 1.00 0.00 O ATOM 638 NE2 GLN A 40 9.974 -9.827 -3.778 1.00 0.00 N ATOM 0 H GLN A 40 7.163 -12.941 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 40 7.913 -10.645 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.274 -12.742 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.551 -11.768 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.380 -11.366 -6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.424 -9.903 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.062 -8.940 -4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.751 -9.834 -2.783 1.00 0.00 H new ATOM 647 N GLY A 41 7.713 -8.667 -6.946 1.00 0.00 N ATOM 648 CA GLY A 41 7.502 -7.460 -7.729 1.00 0.00 C ATOM 649 C GLY A 41 6.041 -7.029 -7.775 1.00 0.00 C ATOM 650 O GLY A 41 5.758 -5.974 -8.355 1.00 0.00 O ATOM 0 H GLY A 41 7.853 -8.484 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.101 -6.652 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.859 -7.626 -8.746 1.00 0.00 H new ATOM 654 N LEU A 42 5.105 -7.772 -7.161 1.00 0.00 N ATOM 655 CA LEU A 42 3.791 -7.223 -6.906 1.00 0.00 C ATOM 656 C LEU A 42 3.886 -6.219 -5.765 1.00 0.00 C ATOM 657 O LEU A 42 3.159 -5.235 -5.806 1.00 0.00 O ATOM 658 CB LEU A 42 2.780 -8.275 -6.460 1.00 0.00 C ATOM 659 CG LEU A 42 2.436 -9.439 -7.395 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.058 -9.965 -7.014 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.435 -9.099 -8.873 1.00 0.00 C ATOM 0 H LEU A 42 5.242 -8.732 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 42 3.457 -6.779 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.146 -8.704 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.850 -7.756 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 42 3.225 -10.179 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.792 -10.796 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.073 -10.308 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.322 -9.168 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.180 -9.988 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.700 -8.318 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.424 -8.747 -9.166 1.00 0.00 H new ATOM 673 N LEU A 43 4.712 -6.476 -4.741 1.00 0.00 N ATOM 674 CA LEU A 43 4.698 -5.677 -3.523 1.00 0.00 C ATOM 675 C LEU A 43 5.562 -4.450 -3.777 1.00 0.00 C ATOM 676 O LEU A 43 6.792 -4.541 -3.767 1.00 0.00 O ATOM 677 CB LEU A 43 5.163 -6.475 -2.289 1.00 0.00 C ATOM 678 CG LEU A 43 4.434 -6.110 -0.977 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.000 -4.645 -0.842 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.236 -7.045 -0.763 1.00 0.00 C ATOM 0 H LEU A 43 5.396 -7.233 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 43 3.677 -5.375 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.021 -7.538 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.233 -6.316 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 43 5.179 -6.248 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.499 -4.501 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.877 -4.000 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.315 -4.392 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.729 -6.780 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.542 -6.944 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.585 -8.076 -0.704 1.00 0.00 H new ATOM 692 N GLU A 44 4.920 -3.326 -4.075 1.00 0.00 N ATOM 693 CA GLU A 44 5.553 -2.163 -4.658 1.00 0.00 C ATOM 694 C GLU A 44 5.333 -0.967 -3.738 1.00 0.00 C ATOM 695 O GLU A 44 4.241 -0.406 -3.659 1.00 0.00 O ATOM 696 CB GLU A 44 5.022 -2.007 -6.078 1.00 0.00 C ATOM 697 CG GLU A 44 5.920 -1.041 -6.837 1.00 0.00 C ATOM 698 CD GLU A 44 5.545 -1.028 -8.315 1.00 0.00 C ATOM 699 OE1 GLU A 44 4.433 -0.591 -8.683 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.350 -1.566 -9.115 1.00 0.00 O ATOM 0 H GLU A 44 3.921 -3.202 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 44 6.635 -2.259 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.999 -2.974 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.998 -1.634 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.823 -0.038 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.963 -1.335 -6.721 1.00 0.00 H new ATOM 707 N PHE A 45 6.368 -0.631 -2.970 1.00 0.00 N ATOM 708 CA PHE A 45 6.350 0.423 -1.969 1.00 0.00 C ATOM 709 C PHE A 45 6.643 1.762 -2.661 1.00 0.00 C ATOM 710 O PHE A 45 7.801 2.110 -2.888 1.00 0.00 O ATOM 711 CB PHE A 45 7.360 0.062 -0.867 1.00 0.00 C ATOM 712 CG PHE A 45 7.072 -1.267 -0.184 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.944 -1.406 0.649 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.928 -2.370 -0.378 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.696 -2.619 1.315 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.665 -3.592 0.266 1.00 0.00 C ATOM 717 CZ PHE A 45 6.555 -3.716 1.120 1.00 0.00 C ATOM 0 H PHE A 45 7.270 -1.103 -3.033 1.00 0.00 H new ATOM 0 HA PHE A 45 5.376 0.522 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.360 0.029 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.364 0.853 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.266 -0.575 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.789 -2.276 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.847 -2.709 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.317 -4.437 0.104 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.362 -4.651 1.625 1.00 0.00 H new ATOM 727 N VAL A 46 5.602 2.491 -3.054 1.00 0.00 N ATOM 728 CA VAL A 46 5.690 3.691 -3.867 1.00 0.00 C ATOM 729 C VAL A 46 5.842 4.911 -2.956 1.00 0.00 C ATOM 730 O VAL A 46 4.921 5.297 -2.239 1.00 0.00 O ATOM 731 CB VAL A 46 4.462 3.796 -4.789 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.591 5.033 -5.684 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.316 2.570 -5.697 1.00 0.00 C ATOM 0 H VAL A 46 4.643 2.250 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 46 6.568 3.646 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 46 3.585 3.864 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.720 5.103 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.653 5.927 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.492 4.950 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.436 2.688 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.203 2.473 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.205 1.675 -5.085 1.00 0.00 H new ATOM 743 N ASP A 47 7.011 5.535 -3.012 1.00 0.00 N ATOM 744 CA ASP A 47 7.354 6.757 -2.294 1.00 0.00 C ATOM 745 C ASP A 47 6.503 7.965 -2.731 1.00 0.00 C ATOM 746 O ASP A 47 6.491 8.315 -3.913 1.00 0.00 O ATOM 747 CB ASP A 47 8.845 7.007 -2.534 1.00 0.00 C ATOM 748 CG ASP A 47 9.436 8.053 -1.598 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.666 8.804 -0.966 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.686 8.083 -1.488 1.00 0.00 O ATOM 0 H ASP A 47 7.781 5.188 -3.584 1.00 0.00 H new ATOM 0 HA ASP A 47 7.142 6.633 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.388 6.070 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.992 7.327 -3.565 1.00 0.00 H new ATOM 755 N ILE A 48 5.768 8.595 -1.804 1.00 0.00 N ATOM 756 CA ILE A 48 5.003 9.828 -2.026 1.00 0.00 C ATOM 757 C ILE A 48 5.834 11.092 -1.862 1.00 0.00 C ATOM 758 O ILE A 48 5.421 12.134 -2.365 1.00 0.00 O ATOM 759 CB ILE A 48 3.751 9.943 -1.124 1.00 0.00 C ATOM 760 CG1 ILE A 48 3.980 10.086 0.399 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.835 8.736 -1.410 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.726 10.624 1.105 1.00 0.00 C ATOM 0 H ILE A 48 5.688 8.248 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 48 4.684 9.748 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 48 3.298 10.897 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.250 9.118 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.819 10.758 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.945 8.798 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.541 8.743 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.370 7.813 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.920 10.713 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.472 11.604 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.895 9.938 0.943 1.00 0.00 H new ATOM 774 N THR A 49 6.960 11.039 -1.151 1.00 0.00 N ATOM 775 CA THR A 49 7.785 12.218 -0.957 1.00 0.00 C ATOM 776 C THR A 49 8.825 12.325 -2.079 1.00 0.00 C ATOM 777 O THR A 49 9.509 13.342 -2.154 1.00 0.00 O ATOM 778 CB THR A 49 8.305 12.255 0.494 1.00 0.00 C ATOM 779 OG1 THR A 49 8.557 13.574 0.925 1.00 0.00 O ATOM 780 CG2 THR A 49 9.518 11.381 0.803 1.00 0.00 C ATOM 0 H THR A 49 7.316 10.194 -0.704 1.00 0.00 H new ATOM 0 HA THR A 49 7.211 13.140 -1.054 1.00 0.00 H new ATOM 0 HB THR A 49 7.480 11.816 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.884 13.559 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.789 11.492 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.276 10.338 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.356 11.688 0.178 1.00 0.00 H new ATOM 788 N ALA A 50 8.888 11.340 -2.989 1.00 0.00 N ATOM 789 CA ALA A 50 9.844 11.201 -4.081 1.00 0.00 C ATOM 790 C ALA A 50 10.171 12.521 -4.784 1.00 0.00 C ATOM 791 O ALA A 50 11.350 12.868 -4.887 1.00 0.00 O ATOM 792 CB ALA A 50 9.319 10.166 -5.082 1.00 0.00 C ATOM 0 H ALA A 50 8.221 10.568 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 50 10.784 10.863 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.030 10.058 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.194 9.206 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.358 10.497 -5.477 1.00 0.00 H new ATOM 798 N THR A 51 9.156 13.240 -5.270 1.00 0.00 N ATOM 799 CA THR A 51 9.298 14.587 -5.827 1.00 0.00 C ATOM 800 C THR A 51 7.898 15.179 -6.102 1.00 0.00 C ATOM 801 O THR A 51 7.732 16.398 -6.093 1.00 0.00 O ATOM 802 CB THR A 51 10.218 14.524 -7.070 1.00 0.00 C ATOM 803 OG1 THR A 51 11.319 15.391 -6.898 1.00 0.00 O ATOM 804 CG2 THR A 51 9.549 14.938 -8.370 1.00 0.00 C ATOM 0 H THR A 51 8.196 12.896 -5.288 1.00 0.00 H new ATOM 0 HA THR A 51 9.778 15.265 -5.121 1.00 0.00 H new ATOM 0 HB THR A 51 10.506 13.476 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.898 15.345 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.266 14.864 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.702 14.281 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.198 15.967 -8.287 1.00 0.00 H new ATOM 812 N ASN A 52 6.905 14.314 -6.353 1.00 0.00 N ATOM 813 CA ASN A 52 5.602 14.634 -6.934 1.00 0.00 C ATOM 814 C ASN A 52 4.833 15.746 -6.225 1.00 0.00 C ATOM 815 O ASN A 52 4.285 16.596 -6.923 1.00 0.00 O ATOM 816 CB ASN A 52 4.723 13.370 -6.970 1.00 0.00 C ATOM 817 CG ASN A 52 4.414 12.954 -8.396 1.00 0.00 C ATOM 818 OD1 ASN A 52 5.229 12.301 -9.041 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.273 13.340 -8.929 1.00 0.00 N ATOM 0 H ASN A 52 6.999 13.320 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 52 5.821 15.006 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.232 12.556 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.793 13.556 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.053 13.097 -9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.609 13.882 -8.376 1.00 0.00 H new ATOM 826 N HIS A 53 4.766 15.673 -4.888 1.00 0.00 N ATOM 827 CA HIS A 53 3.978 16.423 -3.903 1.00 0.00 C ATOM 828 C HIS A 53 3.169 15.446 -3.039 1.00 0.00 C ATOM 829 O HIS A 53 1.973 15.236 -3.259 1.00 0.00 O ATOM 830 CB HIS A 53 3.086 17.554 -4.451 1.00 0.00 C ATOM 831 CG HIS A 53 3.818 18.840 -4.761 1.00 0.00 C ATOM 832 ND1 HIS A 53 4.370 19.685 -3.822 1.00 0.00 N ATOM 833 CD2 HIS A 53 3.962 19.436 -5.985 1.00 0.00 C ATOM 834 CE1 HIS A 53 4.830 20.767 -4.467 1.00 0.00 C ATOM 835 NE2 HIS A 53 4.597 20.673 -5.791 1.00 0.00 N ATOM 0 H HIS A 53 5.348 14.987 -4.407 1.00 0.00 H new ATOM 0 HA HIS A 53 4.714 16.958 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.594 17.204 -5.359 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.301 17.764 -3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.643 19.027 -6.932 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.321 21.602 -3.989 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.834 21.360 -6.506 1.00 0.00 H new ATOM 843 N THR A 54 3.822 14.884 -2.020 1.00 0.00 N ATOM 844 CA THR A 54 3.243 14.180 -0.869 1.00 0.00 C ATOM 845 C THR A 54 1.956 14.863 -0.443 1.00 0.00 C ATOM 846 O THR A 54 0.915 14.227 -0.408 1.00 0.00 O ATOM 847 CB THR A 54 4.237 13.949 0.287 1.00 0.00 C ATOM 848 OG1 THR A 54 3.707 13.980 1.602 1.00 0.00 O ATOM 849 CG2 THR A 54 5.371 14.939 0.312 1.00 0.00 C ATOM 0 H THR A 54 4.841 14.909 -1.972 1.00 0.00 H new ATOM 0 HA THR A 54 2.995 13.168 -1.189 1.00 0.00 H new ATOM 0 HB THR A 54 4.561 12.936 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.426 13.820 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.030 14.716 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.933 14.872 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.972 15.947 0.423 1.00 0.00 H new ATOM 857 N ASN A 55 2.053 16.117 -0.012 1.00 0.00 N ATOM 858 CA ASN A 55 0.937 16.919 0.507 1.00 0.00 C ATOM 859 C ASN A 55 -0.345 16.792 -0.329 1.00 0.00 C ATOM 860 O ASN A 55 -1.418 16.548 0.227 1.00 0.00 O ATOM 861 CB ASN A 55 1.321 18.402 0.583 1.00 0.00 C ATOM 862 CG ASN A 55 0.223 19.208 1.273 1.00 0.00 C ATOM 863 OD1 ASN A 55 0.096 19.183 2.498 1.00 0.00 O ATOM 864 ND2 ASN A 55 -0.598 19.937 0.538 1.00 0.00 N ATOM 0 H ASN A 55 2.938 16.625 -0.012 1.00 0.00 H new ATOM 0 HA ASN A 55 0.732 16.522 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.258 18.513 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.489 18.791 -0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.337 20.479 0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.493 19.957 -0.476 1.00 0.00 H new ATOM 871 N GLU A 56 -0.257 16.945 -1.654 1.00 0.00 N ATOM 872 CA GLU A 56 -1.365 16.752 -2.565 1.00 0.00 C ATOM 873 C GLU A 56 -1.788 15.293 -2.625 1.00 0.00 C ATOM 874 O GLU A 56 -2.974 14.981 -2.618 1.00 0.00 O ATOM 875 CB GLU A 56 -0.857 17.169 -3.942 1.00 0.00 C ATOM 876 CG GLU A 56 -1.867 18.022 -4.680 1.00 0.00 C ATOM 877 CD GLU A 56 -2.986 17.199 -5.329 1.00 0.00 C ATOM 878 OE1 GLU A 56 -2.666 16.313 -6.158 1.00 0.00 O ATOM 879 OE2 GLU A 56 -4.180 17.450 -5.046 1.00 0.00 O ATOM 0 H GLU A 56 0.609 17.212 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.227 17.333 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.076 17.723 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.633 16.280 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.306 18.738 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.354 18.598 -5.450 1.00 0.00 H new ATOM 886 N ILE A 57 -0.812 14.388 -2.690 1.00 0.00 N ATOM 887 CA ILE A 57 -1.069 12.966 -2.788 1.00 0.00 C ATOM 888 C ILE A 57 -1.808 12.528 -1.509 1.00 0.00 C ATOM 889 O ILE A 57 -2.615 11.612 -1.564 1.00 0.00 O ATOM 890 CB ILE A 57 0.283 12.225 -2.996 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.674 12.249 -4.489 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.215 10.761 -2.522 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.149 11.926 -4.758 1.00 0.00 C ATOM 0 H ILE A 57 0.179 14.629 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.702 12.719 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 57 1.032 12.746 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.053 11.533 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.450 13.235 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.180 10.281 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.029 10.733 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.554 10.232 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.340 11.964 -5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.780 12.656 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.377 10.928 -4.384 1.00 0.00 H new ATOM 905 N GLN A 58 -1.553 13.155 -0.367 1.00 0.00 N ATOM 906 CA GLN A 58 -2.137 12.835 0.917 1.00 0.00 C ATOM 907 C GLN A 58 -3.615 13.238 0.815 1.00 0.00 C ATOM 908 O GLN A 58 -4.490 12.394 0.987 1.00 0.00 O ATOM 909 CB GLN A 58 -1.386 13.638 1.997 1.00 0.00 C ATOM 910 CG GLN A 58 -0.213 12.903 2.659 1.00 0.00 C ATOM 911 CD GLN A 58 -0.663 11.676 3.443 1.00 0.00 C ATOM 912 OE1 GLN A 58 -1.123 11.773 4.577 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.596 10.501 2.843 1.00 0.00 N ATOM 0 H GLN A 58 -0.901 13.938 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.062 11.781 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.011 14.558 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.096 13.928 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.501 12.600 1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.309 13.587 3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.212 10.431 1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.928 9.664 3.322 1.00 0.00 H new ATOM 922 N ASP A 59 -3.898 14.488 0.442 1.00 0.00 N ATOM 923 CA ASP A 59 -5.245 15.030 0.238 1.00 0.00 C ATOM 924 C ASP A 59 -6.054 14.143 -0.697 1.00 0.00 C ATOM 925 O ASP A 59 -7.122 13.622 -0.387 1.00 0.00 O ATOM 926 CB ASP A 59 -5.119 16.414 -0.398 1.00 0.00 C ATOM 927 CG ASP A 59 -6.453 17.149 -0.427 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.980 17.507 0.650 1.00 0.00 O ATOM 929 OD2 ASP A 59 -6.942 17.419 -1.548 1.00 0.00 O ATOM 0 H ASP A 59 -3.167 15.178 0.267 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.752 15.081 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.391 17.004 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.738 16.313 -1.414 1.00 0.00 H new ATOM 934 N TYR A 60 -5.493 13.926 -1.871 1.00 0.00 N ATOM 935 CA TYR A 60 -6.111 13.123 -2.911 1.00 0.00 C ATOM 936 C TYR A 60 -5.939 11.601 -2.643 1.00 0.00 C ATOM 937 O TYR A 60 -6.350 10.795 -3.474 1.00 0.00 O ATOM 938 CB TYR A 60 -5.640 13.674 -4.275 1.00 0.00 C ATOM 939 CG TYR A 60 -6.310 13.186 -5.570 1.00 0.00 C ATOM 940 CD1 TYR A 60 -7.423 12.319 -5.584 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.662 13.460 -6.792 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.790 11.634 -6.756 1.00 0.00 C ATOM 943 CE2 TYR A 60 -6.034 12.798 -7.975 1.00 0.00 C ATOM 944 CZ TYR A 60 -7.104 11.879 -7.965 1.00 0.00 C ATOM 945 OH TYR A 60 -7.374 11.148 -9.078 1.00 0.00 O ATOM 0 H TYR A 60 -4.584 14.307 -2.134 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.197 13.212 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.748 14.758 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.574 13.462 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.001 12.180 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.867 14.190 -6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.599 10.919 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.500 12.993 -8.893 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.118 11.658 -9.875 1.00 0.00 H new ATOM 955 N LEU A 61 -5.372 11.123 -1.525 1.00 0.00 N ATOM 956 CA LEU A 61 -5.574 9.753 -1.017 1.00 0.00 C ATOM 957 C LEU A 61 -6.750 9.727 -0.048 1.00 0.00 C ATOM 958 O LEU A 61 -7.529 8.769 -0.085 1.00 0.00 O ATOM 959 CB LEU A 61 -4.333 9.190 -0.296 1.00 0.00 C ATOM 960 CG LEU A 61 -3.293 8.606 -1.257 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.934 8.458 -0.560 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.729 7.231 -1.775 1.00 0.00 C ATOM 0 H LEU A 61 -4.752 11.682 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.769 9.126 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.871 9.983 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.647 8.416 0.404 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.205 9.297 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.210 8.042 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.591 9.435 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.035 7.792 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.971 6.841 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.849 6.547 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.677 7.325 -2.304 1.00 0.00 H new ATOM 974 N GLN A 62 -6.896 10.779 0.766 1.00 0.00 N ATOM 975 CA GLN A 62 -8.055 11.036 1.612 1.00 0.00 C ATOM 976 C GLN A 62 -9.302 10.907 0.757 1.00 0.00 C ATOM 977 O GLN A 62 -10.207 10.159 1.123 1.00 0.00 O ATOM 978 CB GLN A 62 -7.947 12.442 2.239 1.00 0.00 C ATOM 979 CG GLN A 62 -8.674 12.651 3.564 1.00 0.00 C ATOM 980 CD GLN A 62 -8.564 14.120 3.973 1.00 0.00 C ATOM 981 OE1 GLN A 62 -7.865 14.471 4.920 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.259 15.003 3.286 1.00 0.00 N ATOM 0 H GLN A 62 -6.179 11.499 0.853 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.103 10.316 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.892 12.669 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.330 13.167 1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.722 12.366 3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.241 12.013 4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.836 14.699 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.220 15.991 3.538 1.00 0.00 H new ATOM 991 N GLN A 63 -9.324 11.573 -0.400 1.00 0.00 N ATOM 992 CA GLN A 63 -10.426 11.432 -1.328 1.00 0.00 C ATOM 993 C GLN A 63 -10.428 10.026 -1.948 1.00 0.00 C ATOM 994 O GLN A 63 -11.422 9.317 -1.824 1.00 0.00 O ATOM 995 CB GLN A 63 -10.401 12.558 -2.382 1.00 0.00 C ATOM 996 CG GLN A 63 -11.807 13.126 -2.640 1.00 0.00 C ATOM 997 CD GLN A 63 -12.819 12.021 -2.923 1.00 0.00 C ATOM 998 OE1 GLN A 63 -12.740 11.340 -3.943 1.00 0.00 O ATOM 999 NE2 GLN A 63 -13.740 11.769 -2.011 1.00 0.00 N ATOM 0 H GLN A 63 -8.590 12.211 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.367 11.538 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.742 13.358 -2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.986 12.175 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.131 13.703 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.772 13.813 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.794 12.342 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.397 11.001 -2.148 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.337 9.605 -2.610 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.361 8.456 -3.533 1.00 0.00 C ATOM 1010 C LEU A 64 -9.675 7.149 -2.780 1.00 0.00 C ATOM 1011 O LEU A 64 -10.155 6.204 -3.411 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.012 8.372 -4.294 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.545 7.032 -4.906 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.354 6.693 -6.157 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.075 7.097 -5.353 1.00 0.00 C ATOM 0 H LEU A 64 -8.422 10.046 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.158 8.600 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.052 9.100 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.233 8.702 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.681 6.282 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.007 5.746 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.409 6.610 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.224 7.481 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.781 6.137 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.957 7.878 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.443 7.322 -4.494 1.00 0.00 H new ATOM 1027 N THR A 65 -9.409 7.075 -1.467 1.00 0.00 N ATOM 1028 CA THR A 65 -9.602 5.864 -0.668 1.00 0.00 C ATOM 1029 C THR A 65 -10.466 6.060 0.582 1.00 0.00 C ATOM 1030 O THR A 65 -10.938 5.063 1.130 1.00 0.00 O ATOM 1031 CB THR A 65 -8.242 5.232 -0.321 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.492 5.939 0.646 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.333 5.089 -1.539 1.00 0.00 C ATOM 0 H THR A 65 -9.051 7.864 -0.929 1.00 0.00 H new ATOM 0 HA THR A 65 -10.172 5.177 -1.293 1.00 0.00 H new ATOM 0 HB THR A 65 -8.530 4.261 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.474 6.891 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.388 4.638 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.817 4.454 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.144 6.072 -1.970 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.680 7.295 1.052 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.506 7.587 2.218 1.00 0.00 C ATOM 1043 C GLY A 66 -10.666 7.886 3.459 1.00 0.00 C ATOM 1044 O GLY A 66 -11.230 8.211 4.499 1.00 0.00 O ATOM 0 H GLY A 66 -10.276 8.128 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.148 8.441 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.160 6.739 2.420 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.335 7.778 3.378 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.372 8.173 4.400 1.00 0.00 C ATOM 1050 C ALA A 67 -7.013 8.364 3.717 1.00 0.00 C ATOM 1051 O ALA A 67 -6.799 7.818 2.635 1.00 0.00 O ATOM 1052 CB ALA A 67 -8.299 7.079 5.467 1.00 0.00 C ATOM 0 H ALA A 67 -8.881 7.391 2.551 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.668 9.103 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.581 7.367 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.281 6.947 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.983 6.143 5.007 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.090 9.128 4.310 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.821 9.467 3.643 1.00 0.00 C ATOM 1060 C ARG A 68 -3.617 8.731 4.195 1.00 0.00 C ATOM 1061 O ARG A 68 -2.602 8.652 3.505 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.538 10.977 3.657 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.311 11.637 5.024 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.609 12.201 5.602 1.00 0.00 C ATOM 1065 NE ARG A 68 -5.535 12.350 7.060 1.00 0.00 N ATOM 1066 CZ ARG A 68 -4.872 13.291 7.732 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -4.243 14.260 7.072 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -4.816 13.229 9.056 1.00 0.00 N ATOM 0 H ARG A 68 -6.193 9.523 5.245 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.967 9.135 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.656 11.161 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.374 11.482 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.892 10.906 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.579 12.438 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.819 13.169 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.438 11.542 5.345 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.043 11.663 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.268 14.282 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.735 14.981 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.278 12.466 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.311 13.944 9.579 1.00 0.00 H new ATOM 1082 N THR A 69 -3.702 8.247 5.427 1.00 0.00 N ATOM 1083 CA THR A 69 -2.545 7.885 6.225 1.00 0.00 C ATOM 1084 C THR A 69 -1.668 6.885 5.495 1.00 0.00 C ATOM 1085 O THR A 69 -2.156 5.898 4.944 1.00 0.00 O ATOM 1086 CB THR A 69 -3.050 7.322 7.564 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.252 6.573 7.381 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.344 8.474 8.522 1.00 0.00 C ATOM 0 H THR A 69 -4.590 8.094 5.904 1.00 0.00 H new ATOM 0 HA THR A 69 -1.925 8.763 6.406 1.00 0.00 H new ATOM 0 HB THR A 69 -2.277 6.669 7.971 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.554 6.223 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.702 8.075 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.433 9.049 8.690 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.107 9.121 8.089 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.369 7.152 5.506 1.00 0.00 N ATOM 1097 CA VAL A 70 0.642 6.254 4.984 1.00 0.00 C ATOM 1098 C VAL A 70 1.162 5.426 6.166 1.00 0.00 C ATOM 1099 O VAL A 70 1.045 5.872 7.313 1.00 0.00 O ATOM 1100 CB VAL A 70 1.742 7.033 4.236 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.282 7.341 2.805 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.147 8.348 4.920 1.00 0.00 C ATOM 0 H VAL A 70 0.015 8.017 5.886 1.00 0.00 H new ATOM 0 HA VAL A 70 0.231 5.576 4.236 1.00 0.00 H new ATOM 0 HB VAL A 70 2.620 6.387 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.064 7.892 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.081 6.408 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.374 7.943 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.925 8.838 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.279 9.003 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.525 8.136 5.920 1.00 0.00 H new ATOM 1112 N PRO A 71 1.682 4.206 5.957 1.00 0.00 N ATOM 1113 CA PRO A 71 1.623 3.437 4.714 1.00 0.00 C ATOM 1114 C PRO A 71 0.162 3.168 4.331 1.00 0.00 C ATOM 1115 O PRO A 71 -0.674 3.041 5.222 1.00 0.00 O ATOM 1116 CB PRO A 71 2.356 2.128 5.028 1.00 0.00 C ATOM 1117 CG PRO A 71 2.174 1.969 6.539 1.00 0.00 C ATOM 1118 CD PRO A 71 2.177 3.395 7.055 1.00 0.00 C ATOM 0 HA PRO A 71 2.076 3.963 3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.928 1.288 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.410 2.183 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.241 1.459 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.980 1.382 6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.541 3.495 7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.180 3.704 7.350 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.150 3.110 3.032 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.516 2.995 2.516 1.00 0.00 C ATOM 1128 C ARG A 72 -1.541 1.861 1.501 1.00 0.00 C ATOM 1129 O ARG A 72 -1.001 2.030 0.406 1.00 0.00 O ATOM 1130 CB ARG A 72 -1.952 4.342 1.907 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.431 4.354 1.482 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.172 5.616 1.953 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.455 5.553 3.396 1.00 0.00 N ATOM 1134 CZ ARG A 72 -5.553 5.067 3.985 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -6.628 4.731 3.272 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -5.573 4.920 5.304 1.00 0.00 N ATOM 0 H ARG A 72 0.555 3.142 2.296 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.225 2.763 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.781 5.136 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.328 4.563 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.494 4.285 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.929 3.473 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.570 6.498 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.105 5.722 1.400 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.733 5.921 4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.623 4.843 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.456 4.362 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.756 5.177 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.405 4.550 5.763 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.065 0.697 1.882 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.983 -0.515 1.073 1.00 0.00 C ATOM 1152 C VAL A 73 -3.149 -0.565 0.093 1.00 0.00 C ATOM 1153 O VAL A 73 -4.307 -0.584 0.511 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.957 -1.764 1.977 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -2.031 -3.063 1.149 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.690 -1.765 2.848 1.00 0.00 C ATOM 0 H VAL A 73 -2.560 0.569 2.765 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.056 -0.501 0.500 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.836 -1.726 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.010 -3.923 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.956 -3.074 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.179 -3.111 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.684 -2.652 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.192 -1.771 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.678 -0.873 3.474 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.829 -0.691 -1.193 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.716 -1.154 -2.242 1.00 0.00 C ATOM 1168 C PHE A 74 -3.337 -2.595 -2.570 1.00 0.00 C ATOM 1169 O PHE A 74 -2.334 -2.836 -3.245 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.606 -0.293 -3.505 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.458 0.953 -3.531 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.808 0.839 -3.898 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -3.898 2.222 -3.300 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -6.591 1.983 -4.093 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -4.681 3.376 -3.495 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.016 3.254 -3.921 1.00 0.00 C ATOM 0 H PHE A 74 -1.899 -0.460 -1.542 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.746 -1.084 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.564 0.000 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.871 -0.908 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.246 -0.139 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.872 2.311 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.630 1.890 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.257 4.353 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.601 4.140 -4.117 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.141 -3.565 -2.139 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.089 -4.894 -2.731 1.00 0.00 C ATOM 1188 C ILE A 75 -4.982 -4.784 -3.974 1.00 0.00 C ATOM 1189 O ILE A 75 -6.168 -4.497 -3.856 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.496 -5.981 -1.698 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.274 -6.712 -1.099 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.353 -7.091 -2.327 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.529 -5.991 -0.003 1.00 0.00 C ATOM 0 H ILE A 75 -4.827 -3.456 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.091 -5.217 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.046 -5.430 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.609 -7.673 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.573 -6.923 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.612 -7.826 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.265 -6.658 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.791 -7.577 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.694 -6.605 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.151 -5.042 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.203 -5.804 0.833 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.409 -4.957 -5.166 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.095 -5.005 -6.453 1.00 0.00 C ATOM 1207 C GLY A 76 -6.204 -3.970 -6.604 1.00 0.00 C ATOM 1208 O GLY A 76 -7.373 -4.332 -6.705 1.00 0.00 O ATOM 0 H GLY A 76 -3.400 -5.073 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.364 -4.858 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.519 -6.000 -6.590 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.833 -2.695 -6.702 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.733 -1.542 -6.776 1.00 0.00 C ATOM 1214 C LYS A 77 -7.880 -1.507 -5.744 1.00 0.00 C ATOM 1215 O LYS A 77 -8.810 -0.725 -5.941 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.232 -1.402 -8.233 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.887 -0.002 -8.755 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.618 0.387 -10.041 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.095 1.766 -10.450 1.00 0.00 C ATOM 1220 NZ LYS A 77 -7.764 2.307 -11.647 1.00 0.00 N ATOM 0 H LYS A 77 -4.850 -2.423 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.148 -0.669 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.769 -2.162 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.309 -1.564 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.122 0.730 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.813 0.053 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.433 -0.345 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.696 0.415 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.231 2.460 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.023 1.700 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.367 3.241 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.614 1.663 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.783 2.399 -11.463 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.781 -2.214 -4.618 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.642 -2.045 -3.442 1.00 0.00 C ATOM 1236 C ASP A 78 -7.777 -1.588 -2.264 1.00 0.00 C ATOM 1237 O ASP A 78 -6.772 -2.230 -1.947 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.370 -3.345 -3.108 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.457 -3.076 -2.070 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.125 -2.858 -0.885 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.648 -3.101 -2.460 1.00 0.00 O ATOM 0 H ASP A 78 -7.079 -2.943 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.402 -1.293 -3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.812 -3.767 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.663 -4.081 -2.725 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.078 -0.418 -1.691 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.303 0.159 -0.598 1.00 0.00 C ATOM 1248 C CYS A 79 -7.760 -0.427 0.735 1.00 0.00 C ATOM 1249 O CYS A 79 -8.797 -0.003 1.255 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.416 1.687 -0.602 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.143 2.370 0.493 1.00 0.00 S ATOM 0 H CYS A 79 -8.872 0.155 -1.977 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.252 -0.094 -0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.290 2.072 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.407 1.993 -0.266 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.216 1.480 0.689 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.989 -1.342 1.325 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.443 -2.101 2.478 1.00 0.00 C ATOM 1259 C ILE A 80 -7.234 -1.333 3.791 1.00 0.00 C ATOM 1260 O ILE A 80 -7.741 -1.753 4.830 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.819 -3.511 2.446 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.312 -3.606 2.750 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -7.065 -4.187 1.083 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.959 -3.331 4.213 1.00 0.00 C ATOM 0 H ILE A 80 -6.044 -1.572 1.017 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.523 -2.238 2.426 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.328 -4.020 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.959 -4.602 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.778 -2.897 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.616 -5.180 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.137 -4.273 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.616 -3.586 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.881 -3.416 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.280 -2.325 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.464 -4.056 4.852 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.528 -0.196 3.756 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.396 0.710 4.885 1.00 0.00 C ATOM 1278 C GLY A 81 -4.964 1.182 5.092 1.00 0.00 C ATOM 1279 O GLY A 81 -4.109 1.043 4.207 1.00 0.00 O ATOM 0 H GLY A 81 -6.027 0.118 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.041 1.575 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.745 0.211 5.789 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.745 1.790 6.258 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.443 2.192 6.756 1.00 0.00 C ATOM 1285 C GLY A 82 -2.867 1.113 7.669 1.00 0.00 C ATOM 1286 O GLY A 82 -3.284 -0.040 7.584 1.00 0.00 O ATOM 0 H GLY A 82 -5.502 2.022 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.766 2.370 5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.529 3.131 7.302 1.00 0.00 H new ATOM 1290 N CYS A 83 -1.870 1.439 8.496 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.043 0.456 9.175 1.00 0.00 C ATOM 1292 C CYS A 83 -1.846 -0.238 10.270 1.00 0.00 C ATOM 1293 O CYS A 83 -1.687 -1.442 10.471 1.00 0.00 O ATOM 1294 CB CYS A 83 0.214 1.121 9.756 1.00 0.00 C ATOM 1295 SG CYS A 83 1.670 0.069 9.483 1.00 0.00 S ATOM 0 H CYS A 83 -1.617 2.404 8.710 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.724 -0.295 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.367 2.094 9.289 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.080 1.297 10.823 1.00 0.00 H new ATOM 0 HG CYS A 83 2.723 0.648 9.979 1.00 0.00 H new ATOM 1301 N SER A 84 -2.708 0.495 10.977 1.00 0.00 N ATOM 1302 CA SER A 84 -3.456 -0.098 12.069 1.00 0.00 C ATOM 1303 C SER A 84 -4.474 -1.111 11.536 1.00 0.00 C ATOM 1304 O SER A 84 -4.719 -2.147 12.163 1.00 0.00 O ATOM 1305 CB SER A 84 -4.122 0.974 12.936 1.00 0.00 C ATOM 1306 OG SER A 84 -3.152 1.905 13.391 1.00 0.00 O ATOM 0 H SER A 84 -2.899 1.483 10.812 1.00 0.00 H new ATOM 0 HA SER A 84 -2.756 -0.635 12.710 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.892 1.490 12.362 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.618 0.508 13.788 1.00 0.00 H new ATOM 0 HG SER A 84 -3.587 2.588 13.943 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.066 -0.823 10.376 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.951 -1.726 9.652 1.00 0.00 C ATOM 1314 C ASP A 85 -5.128 -2.898 9.128 1.00 0.00 C ATOM 1315 O ASP A 85 -5.477 -4.054 9.358 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.653 -0.985 8.502 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.825 -0.150 9.008 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.888 -0.742 9.306 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -7.681 1.090 9.128 1.00 0.00 O ATOM 0 H ASP A 85 -4.937 0.072 9.904 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.727 -2.100 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.937 -0.339 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.009 -1.706 7.767 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.007 -2.604 8.466 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.097 -3.563 7.854 1.00 0.00 C ATOM 1326 C LEU A 86 -2.683 -4.654 8.832 1.00 0.00 C ATOM 1327 O LEU A 86 -2.685 -5.826 8.454 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.858 -2.820 7.330 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.823 -3.705 6.628 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.442 -4.303 5.368 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.404 -2.856 6.276 1.00 0.00 C ATOM 0 H LEU A 86 -3.698 -1.641 8.338 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.616 -4.050 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.184 -2.046 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.375 -2.315 8.166 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.514 -4.518 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.708 -4.933 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.311 -4.903 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.750 -3.500 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.146 -3.479 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.106 -2.043 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.834 -2.442 7.188 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.345 -4.292 10.074 1.00 0.00 N ATOM 1344 CA VAL A 87 -2.004 -5.228 11.108 1.00 0.00 C ATOM 1345 C VAL A 87 -3.146 -6.225 11.297 1.00 0.00 C ATOM 1346 O VAL A 87 -2.845 -7.409 11.381 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.657 -4.436 12.381 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.630 -5.353 13.599 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.271 -3.784 12.279 1.00 0.00 C ATOM 0 H VAL A 87 -2.305 -3.319 10.377 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.129 -5.820 10.842 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.426 -3.671 12.486 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.383 -4.771 14.487 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.609 -5.815 13.729 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.879 -6.130 13.453 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.060 -3.233 13.196 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.485 -4.556 12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.253 -3.099 11.432 1.00 0.00 H new ATOM 1359 N SER A 88 -4.422 -5.812 11.348 1.00 0.00 N ATOM 1360 CA SER A 88 -5.507 -6.746 11.660 1.00 0.00 C ATOM 1361 C SER A 88 -5.521 -7.751 10.520 1.00 0.00 C ATOM 1362 O SER A 88 -5.579 -8.953 10.765 1.00 0.00 O ATOM 1363 CB SER A 88 -6.896 -6.106 11.604 1.00 0.00 C ATOM 1364 OG SER A 88 -7.476 -6.050 12.896 1.00 0.00 O ATOM 0 H SER A 88 -4.722 -4.852 11.180 1.00 0.00 H new ATOM 0 HA SER A 88 -5.330 -7.141 12.661 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.822 -5.101 11.190 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.539 -6.679 10.936 1.00 0.00 H new ATOM 0 HG SER A 88 -8.363 -5.636 12.839 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.501 -7.258 9.272 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.573 -8.135 8.127 1.00 0.00 C ATOM 1372 C LEU A 89 -4.415 -9.124 8.179 1.00 0.00 C ATOM 1373 O LEU A 89 -4.630 -10.293 7.886 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.583 -7.378 6.788 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.904 -6.677 6.411 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.049 -5.289 7.028 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.004 -6.575 4.884 1.00 0.00 C ATOM 0 H LEU A 89 -5.436 -6.265 9.047 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.523 -8.667 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.792 -6.628 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.330 -8.082 5.995 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.714 -7.284 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.000 -4.853 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.019 -5.369 8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.232 -4.653 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.936 -6.080 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.162 -5.998 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.985 -7.575 4.451 1.00 0.00 H new ATOM 1389 N GLN A 90 -3.203 -8.693 8.523 1.00 0.00 N ATOM 1390 CA GLN A 90 -2.051 -9.576 8.621 1.00 0.00 C ATOM 1391 C GLN A 90 -2.265 -10.611 9.740 1.00 0.00 C ATOM 1392 O GLN A 90 -2.224 -11.811 9.473 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.792 -8.712 8.795 1.00 0.00 C ATOM 1394 CG GLN A 90 0.523 -9.511 8.790 1.00 0.00 C ATOM 1395 CD GLN A 90 1.264 -9.369 10.116 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.472 -8.267 10.616 1.00 0.00 O ATOM 1397 NE2 GLN A 90 1.650 -10.466 10.731 1.00 0.00 N ATOM 0 H GLN A 90 -2.996 -7.718 8.741 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.919 -10.161 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.758 -7.972 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.868 -8.163 9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.311 -10.563 8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.159 -9.163 7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.473 -11.377 10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.126 -10.405 11.631 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.514 -10.174 10.977 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.581 -11.001 12.174 1.00 0.00 C ATOM 1408 C GLN A 91 -3.782 -11.957 12.127 1.00 0.00 C ATOM 1409 O GLN A 91 -3.628 -13.163 12.312 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.677 -10.054 13.389 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.582 -10.262 14.433 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.168 -10.693 15.771 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -2.566 -11.841 15.952 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.245 -9.787 16.734 1.00 0.00 N ATOM 0 H GLN A 91 -2.681 -9.188 11.175 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.690 -11.625 12.247 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.636 -9.023 13.036 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.648 -10.190 13.865 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.880 -11.018 14.081 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.018 -9.338 14.561 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.910 -8.838 16.569 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.639 -10.039 17.641 1.00 0.00 H new ATOM 1423 N SER A 92 -4.980 -11.426 11.862 1.00 0.00 N ATOM 1424 CA SER A 92 -6.213 -12.182 11.662 1.00 0.00 C ATOM 1425 C SER A 92 -6.187 -12.928 10.323 1.00 0.00 C ATOM 1426 O SER A 92 -7.099 -13.707 10.046 1.00 0.00 O ATOM 1427 CB SER A 92 -7.413 -11.220 11.742 1.00 0.00 C ATOM 1428 OG SER A 92 -8.660 -11.885 11.904 1.00 0.00 O ATOM 0 H SER A 92 -5.119 -10.419 11.778 1.00 0.00 H new ATOM 0 HA SER A 92 -6.307 -12.933 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.264 -10.534 12.576 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.447 -10.616 10.835 1.00 0.00 H new ATOM 0 HG SER A 92 -8.670 -12.699 11.358 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.187 -12.705 9.472 1.00 0.00 N ATOM 1435 CA GLY A 93 -5.016 -13.423 8.228 1.00 0.00 C ATOM 1436 C GLY A 93 -6.023 -13.041 7.145 1.00 0.00 C ATOM 1437 O GLY A 93 -6.101 -13.769 6.154 1.00 0.00 O ATOM 0 H GLY A 93 -4.464 -12.005 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.009 -13.243 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.097 -14.492 8.424 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.778 -11.932 7.267 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.631 -11.489 6.167 1.00 0.00 C ATOM 1443 C GLU A 94 -6.789 -11.171 4.920 1.00 0.00 C ATOM 1444 O GLU A 94 -7.219 -11.374 3.781 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.356 -10.225 6.629 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.552 -9.807 5.770 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.850 -10.316 6.379 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -11.316 -9.691 7.360 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.387 -11.343 5.915 1.00 0.00 O ATOM 0 H GLU A 94 -6.810 -11.344 8.100 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.338 -12.275 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.700 -10.376 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.641 -9.403 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.585 -8.721 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.438 -10.202 4.760 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.572 -10.665 5.151 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.678 -10.146 4.127 1.00 0.00 C ATOM 1458 C LEU A 95 -4.326 -11.255 3.150 1.00 0.00 C ATOM 1459 O LEU A 95 -4.218 -11.005 1.956 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.382 -9.627 4.776 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.954 -8.250 4.265 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -1.812 -7.755 5.147 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -2.520 -8.238 2.807 1.00 0.00 C ATOM 0 H LEU A 95 -5.176 -10.607 6.089 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.177 -9.331 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.520 -9.578 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.580 -10.341 4.589 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.824 -7.595 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.487 -6.773 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.154 -7.684 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.978 -8.454 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.232 -7.226 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.670 -8.908 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.346 -8.571 2.179 1.00 0.00 H new ATOM 1475 N LEU A 96 -4.138 -12.475 3.656 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.717 -13.607 2.848 1.00 0.00 C ATOM 1477 C LEU A 96 -4.803 -13.976 1.846 1.00 0.00 C ATOM 1478 O LEU A 96 -4.466 -14.290 0.705 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.313 -14.816 3.715 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.982 -14.688 4.494 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.861 -14.074 3.653 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -2.125 -13.906 5.803 1.00 0.00 C ATOM 0 H LEU A 96 -4.275 -12.700 4.641 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.826 -13.309 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.112 -15.005 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.249 -15.693 3.071 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.709 -15.714 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.048 -14.009 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.677 -14.700 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.155 -13.076 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.157 -13.852 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.480 -12.898 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.840 -14.411 6.452 1.00 0.00 H new ATOM 1494 N THR A 97 -6.087 -13.900 2.207 1.00 0.00 N ATOM 1495 CA THR A 97 -7.162 -14.076 1.237 1.00 0.00 C ATOM 1496 C THR A 97 -7.129 -12.939 0.219 1.00 0.00 C ATOM 1497 O THR A 97 -7.157 -13.194 -0.981 1.00 0.00 O ATOM 1498 CB THR A 97 -8.537 -14.091 1.926 1.00 0.00 C ATOM 1499 OG1 THR A 97 -8.467 -14.375 3.309 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.442 -15.124 1.268 1.00 0.00 C ATOM 0 H THR A 97 -6.403 -13.719 3.160 1.00 0.00 H new ATOM 0 HA THR A 97 -7.011 -15.033 0.738 1.00 0.00 H new ATOM 0 HB THR A 97 -8.941 -13.085 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.370 -14.369 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.413 -15.126 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.573 -14.875 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.989 -16.112 1.354 1.00 0.00 H new ATOM 1508 N ARG A 98 -7.039 -11.690 0.690 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.010 -10.493 -0.150 1.00 0.00 C ATOM 1510 C ARG A 98 -5.924 -10.611 -1.215 1.00 0.00 C ATOM 1511 O ARG A 98 -6.169 -10.415 -2.401 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.809 -9.257 0.756 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.031 -8.337 0.756 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.149 -7.540 -0.546 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.526 -7.175 -0.907 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.315 -6.289 -0.288 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -10.060 -5.893 0.950 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.371 -5.792 -0.913 1.00 0.00 N ATOM 0 H ARG A 98 -6.983 -11.482 1.687 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.955 -10.383 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.603 -9.585 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.936 -8.699 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.933 -8.932 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.966 -7.648 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.556 -6.630 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.716 -8.125 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.924 -7.649 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.251 -6.264 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.673 -5.217 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.584 -6.084 -1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.972 -5.117 -0.441 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.715 -10.948 -0.785 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.561 -11.192 -1.626 1.00 0.00 C ATOM 1534 C LEU A 99 -3.829 -12.338 -2.587 1.00 0.00 C ATOM 1535 O LEU A 99 -3.546 -12.228 -3.777 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.371 -11.527 -0.713 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.713 -10.327 -0.029 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.726 -10.849 1.021 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.997 -9.456 -1.059 1.00 0.00 C ATOM 0 H LEU A 99 -4.508 -11.063 0.207 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.342 -10.307 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.709 -12.222 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.616 -12.046 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.471 -9.711 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.246 -10.007 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.261 -11.450 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.032 -11.462 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.534 -8.606 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.229 -10.044 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.717 -9.095 -1.794 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.347 -13.465 -2.110 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.626 -14.587 -2.995 1.00 0.00 C ATOM 1553 C LYS A 100 -5.649 -14.226 -4.059 1.00 0.00 C ATOM 1554 O LYS A 100 -5.465 -14.642 -5.203 1.00 0.00 O ATOM 1555 CB LYS A 100 -5.019 -15.804 -2.159 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.705 -16.477 -1.746 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.916 -17.764 -0.937 1.00 0.00 C ATOM 1558 CE LYS A 100 -4.575 -17.452 0.414 1.00 0.00 C ATOM 1559 NZ LYS A 100 -4.615 -18.631 1.299 1.00 0.00 N ATOM 0 H LYS A 100 -4.579 -13.624 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.724 -14.845 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.596 -15.506 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.643 -16.488 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.125 -16.708 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.115 -15.776 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.541 -18.456 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.958 -18.259 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.028 -16.648 0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.590 -17.091 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.068 -18.374 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.159 -19.390 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.646 -18.961 1.481 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.637 -13.392 -3.745 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.615 -12.903 -4.704 1.00 0.00 C ATOM 1575 C GLN A 101 -6.924 -12.260 -5.916 1.00 0.00 C ATOM 1576 O GLN A 101 -7.426 -12.404 -7.033 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.573 -11.924 -4.002 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.963 -11.878 -4.653 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.878 -10.828 -4.011 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.629 -10.329 -2.914 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.979 -10.495 -4.662 1.00 0.00 N ATOM 0 H GLN A 101 -6.780 -13.033 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.198 -13.741 -5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.677 -12.212 -2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.138 -10.925 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.856 -11.661 -5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.430 -12.860 -4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.180 -10.912 -5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.628 -9.821 -4.255 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.753 -11.625 -5.749 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.057 -10.920 -6.829 1.00 0.00 C ATOM 1592 C ILE A 102 -3.889 -11.727 -7.434 1.00 0.00 C ATOM 1593 O ILE A 102 -3.172 -11.197 -8.281 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.657 -9.493 -6.377 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.426 -9.456 -5.459 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.798 -8.771 -5.660 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.247 -8.731 -6.096 1.00 0.00 C ATOM 0 H ILE A 102 -5.263 -11.588 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.759 -10.812 -7.656 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.413 -8.982 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.689 -8.963 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.131 -10.475 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.469 -7.775 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.653 -8.685 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.087 -9.337 -4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.403 -8.733 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.963 -9.238 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.530 -7.703 -6.320 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.676 -12.987 -7.036 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.632 -13.832 -7.620 1.00 0.00 C ATOM 1611 C GLY A 103 -1.245 -13.553 -7.036 1.00 0.00 C ATOM 1612 O GLY A 103 -0.253 -13.509 -7.764 1.00 0.00 O ATOM 0 H GLY A 103 -4.220 -13.446 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.886 -14.879 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.605 -13.675 -8.698 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.183 -13.317 -5.725 1.00 0.00 N ATOM 1617 CA ALA A 104 0.023 -13.016 -4.969 1.00 0.00 C ATOM 1618 C ALA A 104 0.768 -14.270 -4.532 1.00 0.00 C ATOM 1619 O ALA A 104 1.833 -14.532 -5.063 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.441 -12.269 -3.719 1.00 0.00 C ATOM 0 H ALA A 104 -2.016 -13.332 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 104 0.707 -12.440 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.423 -12.013 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.960 -11.357 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.117 -12.903 -3.146 1.00 0.00 H new ATOM 1626 N LEU A 105 0.270 -14.991 -3.522 1.00 0.00 N ATOM 1627 CA LEU A 105 1.014 -15.946 -2.685 1.00 0.00 C ATOM 1628 C LEU A 105 1.779 -17.019 -3.459 1.00 0.00 C ATOM 1629 O LEU A 105 2.755 -17.577 -2.958 1.00 0.00 O ATOM 1630 CB LEU A 105 0.047 -16.603 -1.684 1.00 0.00 C ATOM 1631 CG LEU A 105 0.100 -15.962 -0.289 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.488 -14.540 -0.265 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -0.602 -16.847 0.740 1.00 0.00 C ATOM 0 H LEU A 105 -0.711 -14.923 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 105 1.780 -15.365 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.970 -16.534 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.285 -17.663 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 105 1.154 -15.875 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.424 -14.137 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.075 -13.902 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.532 -14.573 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.553 -16.374 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.645 -16.981 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.110 -17.819 0.781 1.00 0.00 H new ATOM 1645 N GLN A 106 1.302 -17.251 -4.674 1.00 0.00 N ATOM 1646 CA GLN A 106 1.672 -18.263 -5.657 1.00 0.00 C ATOM 1647 C GLN A 106 2.126 -19.545 -4.961 1.00 0.00 C ATOM 1648 O GLN A 106 1.352 -20.081 -4.138 1.00 0.00 O ATOM 1649 CB GLN A 106 2.675 -17.616 -6.631 1.00 0.00 C ATOM 1650 CG GLN A 106 3.048 -18.436 -7.883 1.00 0.00 C ATOM 1651 CD GLN A 106 4.555 -18.679 -8.015 1.00 0.00 C ATOM 1652 OE1 GLN A 106 5.183 -18.378 -9.028 1.00 0.00 O ATOM 1653 NE2 GLN A 106 5.194 -19.200 -6.982 1.00 0.00 N ATOM 1654 OXT GLN A 106 3.208 -20.076 -5.294 1.00 0.00 O ATOM 0 H GLN A 106 0.554 -16.662 -5.039 1.00 0.00 H new ATOM 0 HA GLN A 106 0.828 -18.597 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.264 -16.661 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.591 -17.397 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.533 -19.396 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.691 -17.915 -8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.679 -19.452 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.202 -19.350 -7.029 1.00 0.00 H new TER 1663 GLN A 106