USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 831 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 89 GLN : amide:sc= -3.34! C(o=-12!,f=-12!) USER MOD Set 1.2: A 90 GLN : amide:sc= -8.38! C(o=-12!,f=-16!) USER MOD Set 2.1: A 6 ASN : amide:sc= -0.68 K(o=-0.15,f=-5.3!) USER MOD Set 2.2: A 59 TYR OH : rot -30:sc= 0.534 USER MOD Set 3.1: A 33 SER OG : rot 180:sc= -0.872 USER MOD Set 3.2: A 34 GLN : amide:sc= -7.04! C(o=-7.9!,f=-0.58!) USER MOD Single : A 7 SER OG : rot 124:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0507 (180deg=-0.554) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= -0.503 (180deg=-1.55!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -16:sc= -0.133 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.205 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 80:sc= 1.32 USER MOD Single : A 29 GLN : amide:sc= -6.6! C(o=-6.6!,f=-5.5!) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= 0.0835 (180deg=-0.00807) USER MOD Single : A 39 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.42) USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.09 USER MOD Single : A 50 THR OG1 : rot -47:sc= 0.02 USER MOD Single : A 51 ASN : amide:sc= -2.55! C(o=-2.6!,f=-6.2!) USER MOD Single : A 52 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 54 ASN : amide:sc= -0.535 K(o=-0.53,f=-3.8!) USER MOD Single : A 57 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.28) USER MOD Single : A 61 GLN : amide:sc= -6.72! C(o=-6.7!,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -88:sc= 0.794! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 122:sc= 1.13 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= -0.0523 (180deg=-0.591) USER MOD Single : A 100 GLN : amide:sc= -0.0813 K(o=-0.081,f=-1.7!) USER MOD Single : A 105 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.721 43.271 0.099 1.00 0.00 N ATOM 31 CA GLU A 3 18.767 42.570 -0.699 1.00 0.00 C ATOM 32 C GLU A 3 19.792 41.954 0.256 1.00 0.00 C ATOM 33 O GLU A 3 20.697 41.253 -0.151 1.00 0.00 O ATOM 34 CB GLU A 3 19.461 43.576 -1.624 1.00 0.00 C ATOM 35 CG GLU A 3 20.274 44.577 -0.790 1.00 0.00 C ATOM 36 CD GLU A 3 21.685 44.033 -0.547 1.00 0.00 C ATOM 37 OE1 GLU A 3 22.209 43.378 -1.433 1.00 0.00 O ATOM 38 OE2 GLU A 3 22.220 44.284 0.521 1.00 0.00 O ATOM 0 HA GLU A 3 18.311 41.785 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.116 43.052 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.719 44.105 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.329 45.534 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.776 44.758 0.163 1.00 0.00 H new ATOM 45 N PHE A 4 19.659 42.222 1.525 1.00 11.75 N ATOM 46 CA PHE A 4 20.620 41.670 2.519 1.00 10.29 C ATOM 47 C PHE A 4 20.549 40.140 2.532 1.00 10.97 C ATOM 48 O PHE A 4 21.465 39.465 2.109 1.00 7.53 O ATOM 49 CB PHE A 4 20.259 42.214 3.910 1.00 11.72 C ATOM 50 CG PHE A 4 21.193 43.341 4.290 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.372 44.425 3.423 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.874 43.303 5.513 1.00 12.51 C ATOM 53 CE1 PHE A 4 22.232 45.470 3.777 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.735 44.347 5.867 1.00 19.72 C ATOM 55 CZ PHE A 4 22.914 45.431 5.000 1.00 20.03 C ATOM 0 H PHE A 4 18.920 42.804 1.919 1.00 11.75 H new ATOM 0 HA PHE A 4 21.633 41.970 2.250 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.229 42.570 3.913 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.323 41.415 4.649 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.846 44.455 2.480 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.734 42.468 6.183 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.370 46.306 3.108 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.262 44.317 6.809 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.578 46.238 5.274 1.00 20.03 H new ATOM 65 N VAL A 5 19.478 39.587 3.034 1.00 10.96 N ATOM 66 CA VAL A 5 19.367 38.101 3.092 1.00 12.03 C ATOM 67 C VAL A 5 19.124 37.537 1.691 1.00 12.91 C ATOM 68 O VAL A 5 19.670 36.514 1.325 1.00 10.57 O ATOM 69 CB VAL A 5 18.205 37.710 4.012 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.203 38.615 5.245 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.877 37.869 3.267 1.00 9.23 C ATOM 0 H VAL A 5 18.677 40.098 3.405 1.00 10.96 H new ATOM 0 HA VAL A 5 20.297 37.689 3.484 1.00 12.03 H new ATOM 0 HB VAL A 5 18.326 36.671 4.319 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.377 38.337 5.899 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.145 38.501 5.782 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.086 39.653 4.934 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.055 37.590 3.926 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.756 38.907 2.956 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.873 37.224 2.388 1.00 9.23 H new ATOM 81 N ASN A 6 18.309 38.184 0.904 1.00 13.95 N ATOM 82 CA ASN A 6 18.038 37.669 -0.463 1.00 13.93 C ATOM 83 C ASN A 6 19.361 37.484 -1.207 1.00 14.98 C ATOM 84 O ASN A 6 19.540 36.538 -1.947 1.00 13.88 O ATOM 85 CB ASN A 6 17.161 38.669 -1.215 1.00 19.23 C ATOM 86 CG ASN A 6 15.967 39.058 -0.344 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.707 38.433 0.666 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.222 40.071 -0.693 1.00 26.59 N ATOM 0 H ASN A 6 17.821 39.045 1.150 1.00 13.95 H new ATOM 0 HA ASN A 6 17.522 36.711 -0.399 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.741 39.555 -1.472 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.814 38.232 -2.151 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.422 40.338 -0.119 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.439 40.596 -1.540 1.00 26.59 H new ATOM 95 N SER A 7 20.292 38.378 -1.015 1.00 0.00 N ATOM 96 CA SER A 7 21.601 38.242 -1.710 1.00 0.00 C ATOM 97 C SER A 7 22.426 37.135 -1.049 1.00 0.00 C ATOM 98 O SER A 7 23.435 36.706 -1.571 1.00 0.00 O ATOM 99 CB SER A 7 22.364 39.564 -1.619 1.00 0.00 C ATOM 100 OG SER A 7 21.617 40.583 -2.271 1.00 0.00 O ATOM 0 H SER A 7 20.203 39.194 -0.409 1.00 0.00 H new ATOM 0 HA SER A 7 21.428 37.988 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.530 39.830 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.345 39.463 -2.082 1.00 0.00 H new ATOM 0 HG SER A 7 21.459 41.323 -1.648 1.00 0.00 H new ATOM 106 N LYS A 8 22.013 36.678 0.106 1.00 13.50 N ATOM 107 CA LYS A 8 22.788 35.613 0.809 1.00 11.83 C ATOM 108 C LYS A 8 22.183 34.232 0.530 1.00 12.94 C ATOM 109 O LYS A 8 22.889 33.294 0.216 1.00 11.22 O ATOM 110 CB LYS A 8 22.767 35.893 2.311 1.00 13.35 C ATOM 111 CG LYS A 8 23.634 37.119 2.603 1.00 9.72 C ATOM 112 CD LYS A 8 23.605 37.424 4.100 1.00 17.72 C ATOM 113 CE LYS A 8 24.230 38.797 4.353 1.00 15.70 C ATOM 114 NZ LYS A 8 25.581 38.850 3.727 1.00 22.87 N ATOM 0 H LYS A 8 21.174 36.996 0.591 1.00 13.50 H new ATOM 0 HA LYS A 8 23.815 35.618 0.443 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.745 36.067 2.647 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.141 35.029 2.860 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.659 36.938 2.279 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.269 37.978 2.040 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.578 37.407 4.466 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.152 36.657 4.649 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.594 39.580 3.939 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.306 38.982 5.424 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 26.130 39.624 4.152 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 26.073 37.948 3.887 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 25.484 39.015 2.705 1.00 22.87 H new ATOM 128 N ILE A 9 20.889 34.088 0.638 1.00 11.05 N ATOM 129 CA ILE A 9 20.275 32.754 0.372 1.00 13.61 C ATOM 130 C ILE A 9 20.161 32.540 -1.136 1.00 12.23 C ATOM 131 O ILE A 9 19.753 33.416 -1.873 1.00 12.72 O ATOM 132 CB ILE A 9 18.883 32.667 1.005 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.033 33.848 0.525 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.012 32.685 2.532 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.026 34.257 1.607 1.00 25.19 C ATOM 0 H ILE A 9 20.236 34.828 0.896 1.00 11.05 H new ATOM 0 HA ILE A 9 20.908 31.983 0.810 1.00 13.61 H new ATOM 0 HB ILE A 9 18.398 31.738 0.706 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.677 34.693 0.281 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.504 33.576 -0.389 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.021 32.623 2.982 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.612 31.834 2.857 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.495 33.610 2.845 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.430 35.097 1.250 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.370 33.416 1.830 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.561 34.549 2.510 1.00 25.19 H new ATOM 147 N GLN A 10 20.525 31.378 -1.595 1.00 11.13 N ATOM 148 CA GLN A 10 20.452 31.080 -3.050 1.00 10.86 C ATOM 149 C GLN A 10 20.108 29.595 -3.232 1.00 10.00 C ATOM 150 O GLN A 10 20.465 28.787 -2.399 1.00 10.42 O ATOM 151 CB GLN A 10 21.813 31.369 -3.692 1.00 14.27 C ATOM 152 CG GLN A 10 22.031 32.880 -3.780 1.00 22.05 C ATOM 153 CD GLN A 10 23.396 33.162 -4.411 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.413 32.733 -3.903 1.00 32.99 O ATOM 155 NE2 GLN A 10 23.462 33.871 -5.504 1.00 34.61 N ATOM 0 H GLN A 10 20.874 30.613 -1.017 1.00 11.13 H new ATOM 0 HA GLN A 10 19.689 31.699 -3.522 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.608 30.911 -3.104 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.858 30.927 -4.687 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.241 33.338 -4.376 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.979 33.324 -2.786 1.00 22.05 H new ATOM 0 HE21 GLN A 10 22.608 34.231 -5.931 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.367 34.065 -5.932 1.00 34.61 H new ATOM 164 N PRO A 11 19.435 29.266 -4.311 1.00 6.53 N ATOM 165 CA PRO A 11 19.059 27.868 -4.585 1.00 7.75 C ATOM 166 C PRO A 11 20.301 26.975 -4.550 1.00 6.33 C ATOM 167 O PRO A 11 21.267 27.206 -5.250 1.00 9.49 O ATOM 168 CB PRO A 11 18.430 27.892 -5.987 1.00 8.32 C ATOM 169 CG PRO A 11 18.383 29.372 -6.450 1.00 7.94 C ATOM 170 CD PRO A 11 18.999 30.233 -5.336 1.00 11.72 C ATOM 0 HA PRO A 11 18.367 27.467 -3.845 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.017 27.291 -6.681 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.427 27.465 -5.965 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.936 29.499 -7.381 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.355 29.679 -6.646 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.838 30.820 -5.708 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.272 30.937 -4.932 1.00 11.72 H new ATOM 178 N GLY A 12 20.280 25.959 -3.736 1.00 5.64 N ATOM 179 CA GLY A 12 21.450 25.047 -3.644 1.00 8.39 C ATOM 180 C GLY A 12 22.517 25.664 -2.737 1.00 7.67 C ATOM 181 O GLY A 12 23.694 25.411 -2.892 1.00 10.24 O ATOM 0 H GLY A 12 19.497 25.720 -3.127 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.139 24.080 -3.249 1.00 8.39 H new ATOM 0 HA3 GLY A 12 21.863 24.868 -4.637 1.00 8.39 H new ATOM 185 N LYS A 13 22.117 26.473 -1.789 1.00 9.66 N ATOM 186 CA LYS A 13 23.117 27.102 -0.874 1.00 10.29 C ATOM 187 C LYS A 13 22.561 27.142 0.551 1.00 10.20 C ATOM 188 O LYS A 13 21.409 27.464 0.768 1.00 6.89 O ATOM 189 CB LYS A 13 23.415 28.530 -1.338 1.00 9.77 C ATOM 190 CG LYS A 13 24.668 29.041 -0.624 1.00 10.63 C ATOM 191 CD LYS A 13 24.913 30.503 -1.001 1.00 12.04 C ATOM 192 CE LYS A 13 26.001 31.087 -0.097 1.00 19.12 C ATOM 193 NZ LYS A 13 25.607 30.918 1.330 1.00 25.36 N ATOM 0 H LYS A 13 21.145 26.724 -1.609 1.00 9.66 H new ATOM 0 HA LYS A 13 24.034 26.513 -0.891 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.563 28.551 -2.418 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.568 29.180 -1.120 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.547 28.949 0.455 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.530 28.434 -0.901 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.216 30.575 -2.046 1.00 12.04 H new ATOM 0 HD3 LYS A 13 23.992 31.076 -0.896 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.951 30.587 -0.284 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.147 32.143 -0.322 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.038 31.673 1.901 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 24.572 30.970 1.413 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.936 29.993 1.674 1.00 25.36 H new ATOM 207 N VAL A 14 23.375 26.822 1.526 1.00 10.89 N ATOM 208 CA VAL A 14 22.902 26.846 2.936 1.00 9.99 C ATOM 209 C VAL A 14 23.461 28.081 3.645 1.00 5.01 C ATOM 210 O VAL A 14 24.628 28.400 3.531 1.00 6.68 O ATOM 211 CB VAL A 14 23.378 25.584 3.660 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.841 25.580 5.095 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.863 24.350 2.918 1.00 5.86 C ATOM 0 H VAL A 14 24.349 26.545 1.401 1.00 10.89 H new ATOM 0 HA VAL A 14 21.813 26.882 2.949 1.00 9.99 H new ATOM 0 HB VAL A 14 24.468 25.568 3.684 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.181 24.681 5.608 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.208 26.460 5.623 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.751 25.597 5.076 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.200 23.450 3.431 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.773 24.368 2.895 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.248 24.352 1.898 1.00 5.86 H new ATOM 223 N VAL A 15 22.639 28.772 4.384 1.00 3.11 N ATOM 224 CA VAL A 15 23.115 29.981 5.115 1.00 10.10 C ATOM 225 C VAL A 15 22.395 30.037 6.465 1.00 9.35 C ATOM 226 O VAL A 15 21.232 29.700 6.567 1.00 11.00 O ATOM 227 CB VAL A 15 22.828 31.241 4.270 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.712 32.086 4.899 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.100 32.087 4.172 1.00 10.96 C ATOM 0 H VAL A 15 21.652 28.550 4.514 1.00 3.11 H new ATOM 0 HA VAL A 15 24.190 29.935 5.287 1.00 10.10 H new ATOM 0 HB VAL A 15 22.506 30.922 3.279 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.531 32.967 4.283 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.799 31.494 4.962 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.012 32.398 5.899 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.900 32.977 3.576 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.418 32.384 5.172 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.890 31.503 3.699 1.00 10.96 H new ATOM 239 N VAL A 16 23.081 30.431 7.507 1.00 8.87 N ATOM 240 CA VAL A 16 22.439 30.471 8.850 1.00 5.41 C ATOM 241 C VAL A 16 22.546 31.864 9.469 1.00 6.62 C ATOM 242 O VAL A 16 23.617 32.421 9.604 1.00 8.94 O ATOM 243 CB VAL A 16 23.141 29.470 9.772 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.363 29.336 11.088 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.214 28.106 9.082 1.00 5.31 C ATOM 0 H VAL A 16 24.057 30.726 7.484 1.00 8.87 H new ATOM 0 HA VAL A 16 21.385 30.217 8.734 1.00 5.41 H new ATOM 0 HB VAL A 16 24.148 29.827 9.987 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.869 28.622 11.738 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.314 30.306 11.582 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.353 28.984 10.879 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.714 27.393 9.738 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.206 27.754 8.864 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.775 28.198 8.152 1.00 5.31 H new ATOM 255 N PHE A 17 21.436 32.409 9.887 1.00 5.51 N ATOM 256 CA PHE A 17 21.448 33.739 10.547 1.00 5.80 C ATOM 257 C PHE A 17 21.526 33.496 12.055 1.00 7.23 C ATOM 258 O PHE A 17 20.693 32.817 12.621 1.00 5.39 O ATOM 259 CB PHE A 17 20.165 34.486 10.190 1.00 5.73 C ATOM 260 CG PHE A 17 20.220 34.898 8.739 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.913 33.970 7.736 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.585 36.204 8.395 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.973 34.349 6.390 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.646 36.583 7.049 1.00 5.88 C ATOM 265 CZ PHE A 17 20.338 35.656 6.046 1.00 5.73 C ATOM 0 H PHE A 17 20.514 31.983 9.797 1.00 5.51 H new ATOM 0 HA PHE A 17 22.296 34.340 10.220 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.298 33.850 10.368 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.052 35.364 10.826 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.630 32.962 8.001 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.820 36.920 9.168 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.738 33.633 5.617 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.931 37.591 6.784 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.382 35.949 5.007 1.00 5.73 H new ATOM 275 N ILE A 18 22.540 34.001 12.706 1.00 8.64 N ATOM 276 CA ILE A 18 22.689 33.746 14.172 1.00 6.83 C ATOM 277 C ILE A 18 22.955 35.040 14.934 1.00 10.62 C ATOM 278 O ILE A 18 22.996 36.121 14.384 1.00 6.74 O ATOM 279 CB ILE A 18 23.886 32.810 14.385 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.116 33.396 13.685 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.583 31.419 13.808 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.360 32.608 14.098 1.00 8.36 C ATOM 0 H ILE A 18 23.271 34.578 12.289 1.00 8.64 H new ATOM 0 HA ILE A 18 21.764 33.304 14.542 1.00 6.83 H new ATOM 0 HB ILE A 18 24.078 32.714 15.454 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.987 33.353 12.603 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.233 34.447 13.951 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.441 30.765 13.966 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.710 31.000 14.308 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.383 31.504 12.740 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.236 33.024 13.600 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.491 32.674 15.178 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.241 31.563 13.810 1.00 8.36 H new ATOM 294 N LYS A 19 23.167 34.900 16.209 1.00 12.12 N ATOM 295 CA LYS A 19 23.473 36.060 17.082 1.00 15.62 C ATOM 296 C LYS A 19 24.485 35.556 18.119 1.00 16.36 C ATOM 297 O LYS A 19 24.094 35.014 19.131 1.00 13.35 O ATOM 298 CB LYS A 19 22.192 36.531 17.798 1.00 18.25 C ATOM 299 CG LYS A 19 21.440 37.562 16.934 1.00 25.24 C ATOM 300 CD LYS A 19 20.780 38.619 17.829 1.00 30.64 C ATOM 301 CE LYS A 19 19.691 37.970 18.686 1.00 31.75 C ATOM 302 NZ LYS A 19 19.183 38.962 19.676 1.00 38.73 N ATOM 0 H LYS A 19 23.140 34.004 16.695 1.00 12.12 H new ATOM 0 HA LYS A 19 23.866 36.898 16.507 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.546 35.677 18.000 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.448 36.972 18.761 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.132 38.041 16.241 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.683 37.060 16.332 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.529 39.085 18.469 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.349 39.410 17.215 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.875 37.621 18.053 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.091 37.097 19.202 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.443 38.522 20.259 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.965 39.275 20.286 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.787 39.782 19.174 1.00 38.73 H new ATOM 316 N PRO A 20 25.760 35.700 17.820 1.00 17.46 N ATOM 317 CA PRO A 20 26.828 35.205 18.706 1.00 20.12 C ATOM 318 C PRO A 20 26.571 35.613 20.157 1.00 24.12 C ATOM 319 O PRO A 20 27.167 36.534 20.678 1.00 24.58 O ATOM 320 CB PRO A 20 28.118 35.819 18.145 1.00 20.63 C ATOM 321 CG PRO A 20 27.775 36.419 16.757 1.00 18.08 C ATOM 322 CD PRO A 20 26.244 36.379 16.600 1.00 17.14 C ATOM 0 HA PRO A 20 26.885 34.117 18.725 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.499 36.591 18.814 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.897 35.062 18.055 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.141 37.443 16.681 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.257 35.848 15.963 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.828 37.383 16.514 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.952 35.835 15.702 1.00 17.14 H new ATOM 330 N THR A 21 25.685 34.910 20.809 1.00 24.78 N ATOM 331 CA THR A 21 25.365 35.214 22.228 1.00 27.36 C ATOM 332 C THR A 21 24.413 34.143 22.760 1.00 24.99 C ATOM 333 O THR A 21 24.466 33.771 23.916 1.00 26.49 O ATOM 334 CB THR A 21 24.688 36.585 22.332 1.00 28.64 C ATOM 335 OG1 THR A 21 25.548 37.585 21.806 1.00 30.99 O ATOM 336 CG2 THR A 21 24.386 36.891 23.800 1.00 34.82 C ATOM 0 H THR A 21 25.164 34.128 20.411 1.00 24.78 H new ATOM 0 HA THR A 21 26.285 35.226 22.812 1.00 27.36 H new ATOM 0 HB THR A 21 23.759 36.574 21.762 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.459 37.231 21.739 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.904 37.866 23.877 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.722 36.126 24.202 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.316 36.900 24.369 1.00 34.82 H new ATOM 344 N CYS A 22 23.533 33.647 21.926 1.00 21.46 N ATOM 345 CA CYS A 22 22.571 32.606 22.391 1.00 17.23 C ATOM 346 C CYS A 22 23.088 31.202 22.002 1.00 14.71 C ATOM 347 O CYS A 22 23.449 30.983 20.863 1.00 13.71 O ATOM 348 CB CYS A 22 21.207 32.865 21.745 1.00 15.71 C ATOM 349 SG CYS A 22 19.905 32.581 22.971 1.00 9.78 S ATOM 0 H CYS A 22 23.441 33.918 20.947 1.00 21.46 H new ATOM 0 HA CYS A 22 22.473 32.651 23.476 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.156 33.888 21.373 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.066 32.207 20.888 1.00 15.71 H new ATOM 0 HG CYS A 22 18.744 32.801 22.430 1.00 9.78 H new ATOM 354 N PRO A 23 23.116 30.291 22.958 1.00 13.86 N ATOM 355 CA PRO A 23 23.596 28.911 22.721 1.00 13.47 C ATOM 356 C PRO A 23 22.800 28.201 21.614 1.00 8.59 C ATOM 357 O PRO A 23 23.270 27.248 21.027 1.00 10.79 O ATOM 358 CB PRO A 23 23.403 28.189 24.059 1.00 11.94 C ATOM 359 CG PRO A 23 22.929 29.233 25.091 1.00 7.24 C ATOM 360 CD PRO A 23 22.686 30.555 24.345 1.00 12.58 C ATOM 0 HA PRO A 23 24.633 28.912 22.386 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.669 27.389 23.960 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.336 27.727 24.383 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.015 28.898 25.581 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.679 29.367 25.871 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.636 30.844 24.385 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.258 31.370 24.788 1.00 12.58 H new ATOM 368 N TYR A 24 21.606 28.639 21.322 1.00 0.00 N ATOM 369 CA TYR A 24 20.821 27.953 20.254 1.00 0.00 C ATOM 370 C TYR A 24 21.467 28.258 18.906 1.00 0.00 C ATOM 371 O TYR A 24 21.558 27.411 18.039 1.00 0.00 O ATOM 372 CB TYR A 24 19.374 28.457 20.265 1.00 0.00 C ATOM 373 CG TYR A 24 18.556 27.632 21.232 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.554 27.952 22.595 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.798 26.551 20.764 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.795 27.191 23.491 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.039 25.789 21.661 1.00 0.00 C ATOM 378 CZ TYR A 24 17.037 26.110 23.024 1.00 0.00 C ATOM 379 OH TYR A 24 16.288 25.360 23.908 1.00 0.00 O ATOM 0 H TYR A 24 21.144 29.431 21.769 1.00 0.00 H new ATOM 0 HA TYR A 24 20.815 26.877 20.429 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.347 29.508 20.554 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.948 28.391 19.264 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.138 28.786 22.955 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.799 26.305 19.712 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.794 27.437 24.543 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.456 24.954 21.302 1.00 0.00 H new ATOM 0 HH TYR A 24 15.822 24.649 23.421 1.00 0.00 H new ATOM 389 N SER A 25 21.937 29.458 18.733 1.00 0.00 N ATOM 390 CA SER A 25 22.602 29.819 17.453 1.00 0.00 C ATOM 391 C SER A 25 23.899 29.018 17.342 1.00 0.00 C ATOM 392 O SER A 25 24.284 28.575 16.279 1.00 0.00 O ATOM 393 CB SER A 25 22.916 31.317 17.452 1.00 0.00 C ATOM 394 OG SER A 25 22.334 31.918 18.601 1.00 0.00 O ATOM 0 H SER A 25 21.890 30.207 19.424 1.00 0.00 H new ATOM 0 HA SER A 25 21.952 29.592 16.608 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.995 31.475 17.452 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.526 31.782 16.547 1.00 0.00 H new ATOM 0 HG SER A 25 22.902 31.749 19.382 1.00 0.00 H new ATOM 400 N ARG A 26 24.562 28.820 18.445 1.00 16.21 N ATOM 401 CA ARG A 26 25.826 28.033 18.432 1.00 15.67 C ATOM 402 C ARG A 26 25.511 26.596 18.015 1.00 13.70 C ATOM 403 O ARG A 26 26.238 25.980 17.262 1.00 12.41 O ATOM 404 CB ARG A 26 26.431 28.035 19.838 1.00 22.04 C ATOM 405 CG ARG A 26 27.123 29.377 20.098 1.00 31.64 C ATOM 406 CD ARG A 26 28.373 29.502 19.216 1.00 43.08 C ATOM 407 NE ARG A 26 29.500 30.079 20.013 1.00 52.93 N ATOM 408 CZ ARG A 26 29.310 31.103 20.804 1.00 57.80 C ATOM 409 NH1 ARG A 26 28.153 31.706 20.839 1.00 58.61 N ATOM 410 NH2 ARG A 26 30.292 31.542 21.541 1.00 59.59 N ATOM 0 H ARG A 26 24.282 29.171 19.361 1.00 16.21 H new ATOM 0 HA ARG A 26 26.534 28.473 17.730 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.651 27.867 20.581 1.00 22.04 H new ATOM 0 HB3 ARG A 26 27.147 27.220 19.938 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.436 30.197 19.888 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.400 29.455 21.149 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.654 28.523 18.827 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.161 30.138 18.356 1.00 43.08 H new ATOM 0 HE ARG A 26 30.430 29.668 19.938 1.00 52.93 H new ATOM 0 HH11 ARG A 26 27.389 31.379 20.247 1.00 58.61 H new ATOM 0 HH12 ARG A 26 28.012 32.504 21.459 1.00 58.61 H new ATOM 0 HH21 ARG A 26 31.204 31.087 21.499 1.00 59.59 H new ATOM 0 HH22 ARG A 26 30.148 32.340 22.159 1.00 59.59 H new ATOM 424 N ARG A 27 24.426 26.061 18.502 1.00 0.00 N ATOM 425 CA ARG A 27 24.051 24.666 18.140 1.00 0.00 C ATOM 426 C ARG A 27 24.017 24.531 16.617 1.00 0.00 C ATOM 427 O ARG A 27 24.579 23.614 16.053 1.00 0.00 O ATOM 428 CB ARG A 27 22.665 24.349 18.716 1.00 0.00 C ATOM 429 CG ARG A 27 22.816 23.706 20.099 1.00 0.00 C ATOM 430 CD ARG A 27 21.439 23.562 20.763 1.00 0.00 C ATOM 431 NE ARG A 27 21.531 23.920 22.214 1.00 0.00 N ATOM 432 CZ ARG A 27 22.528 23.499 22.949 1.00 0.00 C ATOM 433 NH1 ARG A 27 23.408 22.671 22.458 1.00 0.00 N ATOM 434 NH2 ARG A 27 22.624 23.886 24.192 1.00 0.00 N ATOM 0 H ARG A 27 23.781 26.531 19.137 1.00 0.00 H new ATOM 0 HA ARG A 27 24.782 23.969 18.550 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.074 25.262 18.791 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.128 23.676 18.048 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.288 22.728 20.005 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.468 24.316 20.724 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.717 24.209 20.265 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.079 22.539 20.654 1.00 0.00 H new ATOM 0 HE ARG A 27 20.806 24.500 22.635 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.322 22.347 21.495 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.183 22.347 23.037 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.923 24.514 24.586 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.400 23.560 24.769 1.00 0.00 H new ATOM 448 N ALA A 28 23.359 25.438 15.949 1.00 0.00 N ATOM 449 CA ALA A 28 23.290 25.358 14.465 1.00 0.00 C ATOM 450 C ALA A 28 24.706 25.391 13.895 1.00 0.00 C ATOM 451 O ALA A 28 25.009 24.750 12.908 1.00 0.00 O ATOM 452 CB ALA A 28 22.501 26.550 13.926 1.00 0.00 C ATOM 0 H ALA A 28 22.868 26.229 16.366 1.00 0.00 H new ATOM 0 HA ALA A 28 22.795 24.432 14.171 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.451 26.491 12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.492 26.534 14.337 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.997 27.476 14.217 1.00 0.00 H new ATOM 458 N GLN A 29 25.577 26.137 14.513 1.00 19.83 N ATOM 459 CA GLN A 29 26.976 26.218 14.020 1.00 20.83 C ATOM 460 C GLN A 29 27.688 24.891 14.286 1.00 20.95 C ATOM 461 O GLN A 29 28.415 24.381 13.457 1.00 22.85 O ATOM 462 CB GLN A 29 27.705 27.346 14.760 1.00 21.33 C ATOM 463 CG GLN A 29 27.164 28.714 14.306 1.00 34.02 C ATOM 464 CD GLN A 29 28.317 29.582 13.791 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.526 30.679 14.268 1.00 42.72 O ATOM 466 NE2 GLN A 29 29.078 29.131 12.832 1.00 45.49 N ATOM 0 H GLN A 29 25.378 26.696 15.342 1.00 19.83 H new ATOM 0 HA GLN A 29 26.977 26.420 12.949 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.570 27.232 15.836 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.776 27.287 14.565 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.420 28.579 13.521 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.665 29.212 15.137 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.902 28.209 12.432 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.849 29.700 12.482 1.00 45.49 H new ATOM 475 N GLU A 30 27.493 24.343 15.450 1.00 22.87 N ATOM 476 CA GLU A 30 28.162 23.060 15.808 1.00 23.32 C ATOM 477 C GLU A 30 27.563 21.883 15.026 1.00 22.32 C ATOM 478 O GLU A 30 28.259 20.953 14.672 1.00 25.42 O ATOM 479 CB GLU A 30 27.986 22.808 17.305 1.00 24.18 C ATOM 480 CG GLU A 30 28.754 23.868 18.096 1.00 32.27 C ATOM 481 CD GLU A 30 30.256 23.587 18.007 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.721 22.721 18.729 1.00 32.92 O ATOM 483 OE2 GLU A 30 30.915 24.244 17.217 1.00 34.69 O ATOM 0 H GLU A 30 26.893 24.732 16.178 1.00 22.87 H new ATOM 0 HA GLU A 30 29.219 23.139 15.553 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.929 22.839 17.568 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.350 21.813 17.562 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.535 24.860 17.701 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.434 23.862 19.138 1.00 32.27 H new ATOM 490 N ILE A 31 26.281 21.891 14.774 1.00 0.00 N ATOM 491 CA ILE A 31 25.666 20.742 14.042 1.00 0.00 C ATOM 492 C ILE A 31 25.989 20.825 12.544 1.00 0.00 C ATOM 493 O ILE A 31 26.579 19.921 11.986 1.00 0.00 O ATOM 494 CB ILE A 31 24.145 20.741 14.277 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.539 19.392 13.845 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.480 21.886 13.512 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.697 19.170 12.334 1.00 0.00 C ATOM 0 H ILE A 31 25.637 22.636 15.040 1.00 0.00 H new ATOM 0 HA ILE A 31 26.082 19.808 14.421 1.00 0.00 H new ATOM 0 HB ILE A 31 23.962 20.885 15.342 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.026 18.581 14.387 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.482 19.363 14.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.405 21.868 13.692 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.889 22.837 13.853 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.672 21.771 12.445 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.260 18.210 12.060 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.188 19.968 11.794 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.756 19.174 12.074 1.00 0.00 H new ATOM 509 N LEU A 32 25.617 21.885 11.879 1.00 16.72 N ATOM 510 CA LEU A 32 25.914 21.985 10.426 1.00 15.05 C ATOM 511 C LEU A 32 27.423 21.895 10.203 1.00 15.55 C ATOM 512 O LEU A 32 27.882 21.620 9.112 1.00 17.28 O ATOM 513 CB LEU A 32 25.370 23.312 9.887 1.00 12.57 C ATOM 514 CG LEU A 32 23.940 23.112 9.354 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.151 24.416 9.482 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.995 22.698 7.879 1.00 12.45 C ATOM 0 H LEU A 32 25.122 22.682 12.279 1.00 16.72 H new ATOM 0 HA LEU A 32 25.434 21.164 9.894 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.372 24.064 10.676 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.016 23.684 9.091 1.00 12.57 H new ATOM 0 HG LEU A 32 23.449 22.332 9.936 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.140 24.268 9.103 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.106 24.713 10.530 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.644 25.198 8.904 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.982 22.557 7.503 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.491 23.477 7.301 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.551 21.765 7.783 1.00 12.45 H new ATOM 528 N SER A 33 28.198 22.112 11.226 1.00 16.31 N ATOM 529 CA SER A 33 29.673 22.023 11.064 1.00 18.98 C ATOM 530 C SER A 33 30.054 20.574 10.743 1.00 18.49 C ATOM 531 O SER A 33 31.031 20.313 10.070 1.00 21.34 O ATOM 532 CB SER A 33 30.357 22.458 12.361 1.00 19.20 C ATOM 533 OG SER A 33 31.694 21.976 12.373 1.00 24.11 O ATOM 0 H SER A 33 27.875 22.346 12.165 1.00 16.31 H new ATOM 0 HA SER A 33 29.995 22.676 10.253 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.350 23.545 12.442 1.00 19.20 H new ATOM 0 HB3 SER A 33 29.811 22.070 13.221 1.00 19.20 H new ATOM 0 HG SER A 33 32.135 22.254 13.203 1.00 24.11 H new ATOM 539 N GLN A 34 29.288 19.631 11.227 1.00 20.00 N ATOM 540 CA GLN A 34 29.600 18.196 10.963 1.00 24.71 C ATOM 541 C GLN A 34 28.872 17.711 9.701 1.00 23.33 C ATOM 542 O GLN A 34 28.909 16.542 9.372 1.00 26.27 O ATOM 543 CB GLN A 34 29.153 17.356 12.161 1.00 28.15 C ATOM 544 CG GLN A 34 30.204 17.443 13.272 1.00 37.01 C ATOM 545 CD GLN A 34 30.084 18.788 13.991 1.00 41.74 C ATOM 546 OE1 GLN A 34 29.361 18.909 14.959 1.00 44.07 O ATOM 547 NE2 GLN A 34 30.770 19.809 13.556 1.00 41.20 N ATOM 0 H GLN A 34 28.457 19.794 11.796 1.00 20.00 H new ATOM 0 HA GLN A 34 30.674 18.089 10.811 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.191 17.712 12.529 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.014 16.318 11.858 1.00 28.15 H new ATOM 0 HG2 GLN A 34 30.066 16.627 13.981 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.203 17.333 12.850 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.377 19.706 12.743 1.00 41.20 H new ATOM 0 HE22 GLN A 34 30.699 20.710 14.029 1.00 41.20 H new ATOM 556 N LEU A 35 28.211 18.586 8.988 1.00 19.63 N ATOM 557 CA LEU A 35 27.495 18.146 7.756 1.00 15.93 C ATOM 558 C LEU A 35 28.441 18.270 6.545 1.00 13.36 C ATOM 559 O LEU A 35 29.021 19.316 6.335 1.00 16.12 O ATOM 560 CB LEU A 35 26.264 19.039 7.536 1.00 13.69 C ATOM 561 CG LEU A 35 25.070 18.540 8.375 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.850 19.438 8.119 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.717 17.093 7.990 1.00 16.28 C ATOM 0 H LEU A 35 28.137 19.580 9.205 1.00 19.63 H new ATOM 0 HA LEU A 35 27.178 17.109 7.867 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.501 20.067 7.808 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.996 19.043 6.480 1.00 13.69 H new ATOM 0 HG LEU A 35 25.344 18.576 9.429 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.007 19.084 8.712 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.088 20.464 8.401 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.589 19.404 7.061 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.873 16.753 8.589 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.452 17.052 6.934 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.576 16.448 8.174 1.00 16.28 H new ATOM 575 N PRO A 36 28.578 17.202 5.779 1.00 16.38 N ATOM 576 CA PRO A 36 29.459 17.202 4.595 1.00 17.59 C ATOM 577 C PRO A 36 28.894 18.138 3.524 1.00 19.11 C ATOM 578 O PRO A 36 28.437 17.713 2.482 1.00 21.54 O ATOM 579 CB PRO A 36 29.456 15.748 4.105 1.00 16.71 C ATOM 580 CG PRO A 36 28.326 15.016 4.861 1.00 16.59 C ATOM 581 CD PRO A 36 27.882 15.922 6.018 1.00 15.74 C ATOM 0 HA PRO A 36 30.466 17.552 4.821 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.290 15.705 3.029 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.418 15.274 4.298 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.490 14.809 4.193 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.677 14.056 5.239 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.800 16.055 6.025 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.157 15.496 6.983 1.00 15.74 H new ATOM 589 N ILE A 37 28.922 19.407 3.781 1.00 0.00 N ATOM 590 CA ILE A 37 28.392 20.383 2.791 1.00 0.00 C ATOM 591 C ILE A 37 29.459 20.661 1.730 1.00 0.00 C ATOM 592 O ILE A 37 30.643 20.575 1.987 1.00 0.00 O ATOM 593 CB ILE A 37 28.029 21.687 3.504 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.870 21.424 4.485 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.627 22.743 2.462 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.523 21.581 3.775 1.00 0.00 C ATOM 0 H ILE A 37 29.291 19.818 4.639 1.00 0.00 H new ATOM 0 HA ILE A 37 27.503 19.971 2.314 1.00 0.00 H new ATOM 0 HB ILE A 37 28.887 22.058 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.956 20.419 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.930 22.119 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.368 23.673 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.461 22.920 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.767 22.386 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.715 21.392 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.434 22.595 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.460 20.868 2.953 1.00 0.00 H new ATOM 608 N LYS A 38 29.043 20.981 0.536 1.00 12.68 N ATOM 609 CA LYS A 38 30.019 21.254 -0.555 1.00 12.78 C ATOM 610 C LYS A 38 31.012 22.338 -0.124 1.00 14.66 C ATOM 611 O LYS A 38 31.143 22.652 1.041 1.00 13.94 O ATOM 612 CB LYS A 38 29.265 21.723 -1.800 1.00 11.68 C ATOM 613 CG LYS A 38 28.229 20.665 -2.218 1.00 12.28 C ATOM 614 CD LYS A 38 28.707 19.932 -3.476 1.00 13.74 C ATOM 615 CE LYS A 38 28.454 20.805 -4.708 1.00 20.88 C ATOM 616 NZ LYS A 38 27.008 20.755 -5.063 1.00 29.41 N ATOM 0 H LYS A 38 28.062 21.066 0.268 1.00 12.68 H new ATOM 0 HA LYS A 38 30.570 20.339 -0.775 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.767 22.671 -1.598 1.00 11.68 H new ATOM 0 HB3 LYS A 38 29.967 21.899 -2.615 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.077 19.952 -1.407 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.267 21.141 -2.408 1.00 12.28 H new ATOM 0 HD2 LYS A 38 29.769 19.702 -3.393 1.00 13.74 H new ATOM 0 HD3 LYS A 38 28.182 18.982 -3.577 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.755 21.833 -4.506 1.00 20.88 H new ATOM 0 HE3 LYS A 38 29.057 20.455 -5.545 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 26.688 21.702 -5.350 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 26.866 20.089 -5.849 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 26.459 20.439 -4.238 1.00 29.41 H new ATOM 630 N GLN A 39 31.719 22.896 -1.071 1.00 0.00 N ATOM 631 CA GLN A 39 32.724 23.956 -0.758 1.00 0.00 C ATOM 632 C GLN A 39 32.093 25.079 0.073 1.00 0.00 C ATOM 633 O GLN A 39 31.343 24.842 0.998 1.00 0.00 O ATOM 634 CB GLN A 39 33.267 24.533 -2.067 1.00 0.00 C ATOM 635 CG GLN A 39 33.787 23.396 -2.950 1.00 0.00 C ATOM 636 CD GLN A 39 34.950 22.695 -2.246 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.841 23.340 -1.731 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.980 21.391 -2.201 1.00 0.00 N ATOM 0 H GLN A 39 31.642 22.660 -2.060 1.00 0.00 H new ATOM 0 HA GLN A 39 33.533 23.512 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.483 25.082 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.068 25.242 -1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 39 32.987 22.683 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.114 23.789 -3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.232 20.848 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.751 20.914 -1.734 1.00 0.00 H new ATOM 647 N GLY A 40 32.411 26.306 -0.245 1.00 11.96 N ATOM 648 CA GLY A 40 31.852 27.453 0.524 1.00 8.67 C ATOM 649 C GLY A 40 30.337 27.512 0.351 1.00 10.51 C ATOM 650 O GLY A 40 29.781 28.532 -0.006 1.00 15.27 O ATOM 0 H GLY A 40 33.037 26.563 -1.008 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.101 27.349 1.580 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.302 28.385 0.181 1.00 8.67 H new ATOM 654 N LEU A 41 29.666 26.428 0.606 1.00 8.78 N ATOM 655 CA LEU A 41 28.179 26.413 0.465 1.00 6.78 C ATOM 656 C LEU A 41 27.543 26.606 1.841 1.00 7.45 C ATOM 657 O LEU A 41 26.399 26.996 1.960 1.00 2.18 O ATOM 658 CB LEU A 41 27.736 25.066 -0.126 1.00 6.98 C ATOM 659 CG LEU A 41 26.829 25.290 -1.346 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.687 25.501 -2.596 1.00 7.97 C ATOM 661 CD2 LEU A 41 25.931 24.064 -1.547 1.00 6.68 C ATOM 0 H LEU A 41 30.081 25.546 0.907 1.00 8.78 H new ATOM 0 HA LEU A 41 27.863 27.218 -0.198 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.610 24.484 -0.417 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.204 24.487 0.629 1.00 6.98 H new ATOM 0 HG LEU A 41 26.212 26.173 -1.178 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.040 25.659 -3.459 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.325 26.373 -2.456 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.307 24.621 -2.764 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.287 24.222 -2.412 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.550 23.182 -1.712 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.316 23.914 -0.660 1.00 6.68 H new ATOM 673 N LEU A 42 28.284 26.342 2.878 1.00 7.13 N ATOM 674 CA LEU A 42 27.743 26.512 4.255 1.00 6.20 C ATOM 675 C LEU A 42 28.316 27.796 4.849 1.00 5.03 C ATOM 676 O LEU A 42 29.510 28.021 4.820 1.00 5.38 O ATOM 677 CB LEU A 42 28.165 25.319 5.115 1.00 3.82 C ATOM 678 CG LEU A 42 27.709 25.527 6.563 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.184 25.671 6.613 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.135 24.320 7.403 1.00 2.48 C ATOM 0 H LEU A 42 29.248 26.013 2.832 1.00 7.13 H new ATOM 0 HA LEU A 42 26.655 26.569 4.226 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.731 24.402 4.717 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.248 25.200 5.080 1.00 3.82 H new ATOM 0 HG LEU A 42 28.167 26.433 6.960 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.866 25.819 7.645 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.880 26.529 6.013 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.720 24.768 6.216 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.813 24.463 8.435 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.676 23.417 7.001 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.220 24.220 7.372 1.00 2.48 H new ATOM 692 N GLU A 43 27.483 28.646 5.382 1.00 5.92 N ATOM 693 CA GLU A 43 27.998 29.915 5.968 1.00 7.54 C ATOM 694 C GLU A 43 27.214 30.261 7.234 1.00 6.00 C ATOM 695 O GLU A 43 26.149 29.734 7.487 1.00 4.97 O ATOM 696 CB GLU A 43 27.841 31.044 4.941 1.00 8.77 C ATOM 697 CG GLU A 43 28.864 32.150 5.223 1.00 16.17 C ATOM 698 CD GLU A 43 30.236 31.724 4.696 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.475 31.901 3.514 1.00 22.03 O ATOM 700 OE2 GLU A 43 31.024 31.230 5.486 1.00 19.19 O ATOM 0 H GLU A 43 26.473 28.518 5.437 1.00 5.92 H new ATOM 0 HA GLU A 43 29.050 29.794 6.225 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.983 30.653 3.933 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.831 31.451 4.986 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.552 33.079 4.746 1.00 16.17 H new ATOM 0 HG3 GLU A 43 28.919 32.345 6.294 1.00 16.17 H new ATOM 707 N PHE A 44 27.735 31.163 8.019 1.00 7.78 N ATOM 708 CA PHE A 44 27.043 31.588 9.266 1.00 9.60 C ATOM 709 C PHE A 44 26.909 33.110 9.216 1.00 6.71 C ATOM 710 O PHE A 44 27.886 33.832 9.248 1.00 6.85 O ATOM 711 CB PHE A 44 27.873 31.166 10.481 1.00 12.09 C ATOM 712 CG PHE A 44 28.189 29.689 10.379 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.193 28.738 10.638 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.477 29.271 10.019 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.485 27.372 10.536 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.768 27.905 9.920 1.00 16.33 C ATOM 717 CZ PHE A 44 28.772 26.956 10.179 1.00 10.85 C ATOM 0 H PHE A 44 28.625 31.630 7.845 1.00 7.78 H new ATOM 0 HA PHE A 44 26.060 31.124 9.348 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.795 31.745 10.525 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.324 31.370 11.400 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.200 29.058 10.916 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.246 30.003 9.818 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.716 26.640 10.733 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.761 27.583 9.644 1.00 16.33 H new ATOM 0 HZ PHE A 44 28.997 25.902 10.103 1.00 10.85 H new ATOM 727 N VAL A 45 25.708 33.600 9.084 1.00 6.10 N ATOM 728 CA VAL A 45 25.507 35.073 8.968 1.00 6.58 C ATOM 729 C VAL A 45 25.206 35.702 10.330 1.00 6.12 C ATOM 730 O VAL A 45 24.096 35.652 10.821 1.00 5.14 O ATOM 731 CB VAL A 45 24.335 35.327 8.019 1.00 5.25 C ATOM 732 CG1 VAL A 45 23.969 36.812 8.028 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.734 34.907 6.603 1.00 2.33 C ATOM 0 H VAL A 45 24.854 33.043 9.051 1.00 6.10 H new ATOM 0 HA VAL A 45 26.421 35.526 8.585 1.00 6.58 H new ATOM 0 HB VAL A 45 23.473 34.746 8.346 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.133 36.985 7.350 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.685 37.111 9.037 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.827 37.400 7.704 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.902 35.086 5.922 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.598 35.488 6.281 1.00 2.33 H new ATOM 0 HG23 VAL A 45 24.987 33.847 6.596 1.00 2.33 H new ATOM 743 N ASP A 46 26.186 36.322 10.930 1.00 6.79 N ATOM 744 CA ASP A 46 25.964 36.986 12.242 1.00 6.49 C ATOM 745 C ASP A 46 25.323 38.353 11.996 1.00 9.11 C ATOM 746 O ASP A 46 25.990 39.300 11.626 1.00 7.52 O ATOM 747 CB ASP A 46 27.305 37.172 12.952 1.00 7.84 C ATOM 748 CG ASP A 46 28.062 35.844 12.974 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.636 34.932 12.285 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.056 35.763 13.676 1.00 15.32 O ATOM 0 H ASP A 46 27.135 36.396 10.564 1.00 6.79 H new ATOM 0 HA ASP A 46 25.311 36.374 12.864 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.897 37.931 12.440 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.143 37.527 13.970 1.00 7.84 H new ATOM 755 N ILE A 47 24.038 38.467 12.187 1.00 8.21 N ATOM 756 CA ILE A 47 23.375 39.780 11.948 1.00 8.33 C ATOM 757 C ILE A 47 23.936 40.812 12.923 1.00 10.92 C ATOM 758 O ILE A 47 23.642 41.988 12.836 1.00 9.40 O ATOM 759 CB ILE A 47 21.865 39.647 12.137 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.559 39.015 13.495 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.301 38.757 11.032 1.00 3.40 C ATOM 762 CD1 ILE A 47 20.044 38.993 13.709 1.00 7.93 C ATOM 0 H ILE A 47 23.422 37.715 12.496 1.00 8.21 H new ATOM 0 HA ILE A 47 23.570 40.104 10.926 1.00 8.33 H new ATOM 0 HB ILE A 47 21.409 40.636 12.093 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.959 38.002 13.537 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.043 39.582 14.291 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.223 38.657 11.160 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.511 39.205 10.061 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.766 37.772 11.085 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.820 38.543 14.676 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.658 40.012 13.685 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.573 38.408 12.919 1.00 7.93 H new ATOM 774 N THR A 48 24.756 40.383 13.846 1.00 13.41 N ATOM 775 CA THR A 48 25.350 41.338 14.821 1.00 16.67 C ATOM 776 C THR A 48 26.734 41.728 14.326 1.00 16.58 C ATOM 777 O THR A 48 27.688 41.801 15.074 1.00 18.03 O ATOM 778 CB THR A 48 25.455 40.680 16.197 1.00 15.80 C ATOM 779 OG1 THR A 48 26.628 39.880 16.256 1.00 21.06 O ATOM 780 CG2 THR A 48 24.224 39.806 16.440 1.00 21.72 C ATOM 0 H THR A 48 25.039 39.410 13.965 1.00 13.41 H new ATOM 0 HA THR A 48 24.721 42.224 14.908 1.00 16.67 H new ATOM 0 HB THR A 48 25.508 41.452 16.964 1.00 15.80 H new ATOM 0 HG1 THR A 48 27.419 40.458 16.248 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.299 39.337 17.421 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.326 40.423 16.400 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.168 39.034 15.672 1.00 21.72 H new ATOM 788 N ALA A 49 26.835 41.980 13.057 1.00 15.36 N ATOM 789 CA ALA A 49 28.133 42.371 12.458 1.00 18.08 C ATOM 790 C ALA A 49 27.841 43.191 11.209 1.00 20.63 C ATOM 791 O ALA A 49 28.706 43.435 10.390 1.00 22.45 O ATOM 792 CB ALA A 49 28.925 41.121 12.073 1.00 18.76 C ATOM 0 H ALA A 49 26.058 41.931 12.398 1.00 15.36 H new ATOM 0 HA ALA A 49 28.720 42.950 13.171 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.878 41.415 11.633 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.107 40.517 12.962 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.356 40.538 11.349 1.00 18.76 H new ATOM 798 N THR A 50 26.616 43.623 11.073 1.00 22.30 N ATOM 799 CA THR A 50 26.222 44.439 9.902 1.00 25.27 C ATOM 800 C THR A 50 25.286 45.551 10.387 1.00 24.34 C ATOM 801 O THR A 50 24.873 46.406 9.632 1.00 25.49 O ATOM 802 CB THR A 50 25.513 43.554 8.865 1.00 22.85 C ATOM 803 OG1 THR A 50 25.370 44.286 7.657 1.00 23.28 O ATOM 804 CG2 THR A 50 24.129 43.138 9.374 1.00 25.63 C ATOM 0 H THR A 50 25.864 43.439 11.737 1.00 22.30 H new ATOM 0 HA THR A 50 27.102 44.877 9.430 1.00 25.27 H new ATOM 0 HB THR A 50 26.107 42.656 8.694 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.021 45.180 7.856 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.640 42.512 8.628 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.236 42.579 10.303 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.525 44.027 9.553 1.00 25.63 H new ATOM 812 N ASN A 51 24.969 45.546 11.662 1.00 0.00 N ATOM 813 CA ASN A 51 24.085 46.606 12.230 1.00 0.00 C ATOM 814 C ASN A 51 22.656 46.421 11.714 1.00 0.00 C ATOM 815 O ASN A 51 22.352 45.470 11.018 1.00 0.00 O ATOM 816 CB ASN A 51 24.627 47.981 11.827 1.00 0.00 C ATOM 817 CG ASN A 51 26.155 47.945 11.880 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.735 46.999 12.382 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.839 48.939 11.384 1.00 0.00 N ATOM 0 H ASN A 51 25.288 44.848 12.334 1.00 0.00 H new ATOM 0 HA ASN A 51 24.071 46.532 13.317 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.290 48.240 10.823 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.244 48.749 12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.858 48.923 11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 51 26.354 49.732 10.963 1.00 0.00 H new ATOM 826 N HIS A 52 21.767 47.315 12.058 1.00 0.00 N ATOM 827 CA HIS A 52 20.357 47.178 11.590 1.00 0.00 C ATOM 828 C HIS A 52 19.850 45.790 11.975 1.00 0.00 C ATOM 829 O HIS A 52 18.883 45.293 11.439 1.00 0.00 O ATOM 830 CB HIS A 52 20.299 47.345 10.073 1.00 0.00 C ATOM 831 CG HIS A 52 21.410 48.248 9.625 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.408 47.817 8.768 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.697 49.559 9.908 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.244 48.852 8.568 1.00 0.00 C ATOM 835 NE2 HIS A 52 22.857 49.940 9.239 1.00 0.00 N ATOM 0 H HIS A 52 21.955 48.131 12.640 1.00 0.00 H new ATOM 0 HA HIS A 52 19.735 47.944 12.053 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.387 46.374 9.586 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.336 47.763 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.112 50.199 10.552 1.00 0.00 H new ATOM 0 HE1 HIS A 52 24.122 48.808 7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.313 50.852 9.257 1.00 0.00 H new ATOM 843 N THR A 53 20.525 45.164 12.900 1.00 18.27 N ATOM 844 CA THR A 53 20.138 43.795 13.351 1.00 16.01 C ATOM 845 C THR A 53 18.616 43.608 13.286 1.00 16.57 C ATOM 846 O THR A 53 18.118 42.686 12.675 1.00 18.87 O ATOM 847 CB THR A 53 20.620 43.609 14.799 1.00 15.02 C ATOM 848 OG1 THR A 53 21.717 44.482 15.044 1.00 13.32 O ATOM 849 CG2 THR A 53 21.064 42.164 15.019 1.00 9.59 C ATOM 0 H THR A 53 21.343 45.550 13.371 1.00 18.27 H new ATOM 0 HA THR A 53 20.597 43.055 12.696 1.00 16.01 H new ATOM 0 HB THR A 53 19.803 43.840 15.482 1.00 15.02 H new ATOM 0 HG1 THR A 53 22.026 44.368 15.967 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.404 42.040 16.047 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.226 41.493 14.831 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.879 41.926 14.336 1.00 9.59 H new ATOM 857 N ASN A 54 17.877 44.468 13.926 1.00 13.94 N ATOM 858 CA ASN A 54 16.391 44.337 13.925 1.00 18.93 C ATOM 859 C ASN A 54 15.833 44.354 12.500 1.00 16.34 C ATOM 860 O ASN A 54 14.839 43.714 12.214 1.00 15.61 O ATOM 861 CB ASN A 54 15.798 45.502 14.713 1.00 24.12 C ATOM 862 CG ASN A 54 16.349 45.480 16.140 1.00 35.27 C ATOM 863 OD1 ASN A 54 17.194 44.669 16.464 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.907 46.346 17.008 1.00 37.58 N ATOM 0 H ASN A 54 18.239 45.262 14.454 1.00 13.94 H new ATOM 0 HA ASN A 54 16.123 43.385 14.382 1.00 18.93 H new ATOM 0 HB2 ASN A 54 16.046 46.447 14.230 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.711 45.429 14.730 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.270 46.344 17.961 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.198 47.026 16.734 1.00 37.58 H new ATOM 871 N GLU A 55 16.440 45.082 11.604 1.00 16.09 N ATOM 872 CA GLU A 55 15.903 45.127 10.212 1.00 15.04 C ATOM 873 C GLU A 55 15.980 43.736 9.578 1.00 15.56 C ATOM 874 O GLU A 55 15.050 43.290 8.936 1.00 18.95 O ATOM 875 CB GLU A 55 16.707 46.123 9.374 1.00 18.55 C ATOM 876 CG GLU A 55 16.356 47.548 9.807 1.00 23.55 C ATOM 877 CD GLU A 55 14.912 47.864 9.410 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.445 47.287 8.443 1.00 33.02 O ATOM 879 OE2 GLU A 55 14.298 48.677 10.083 1.00 31.49 O ATOM 0 H GLU A 55 17.276 45.643 11.771 1.00 16.09 H new ATOM 0 HA GLU A 55 14.862 45.447 10.245 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.775 45.945 9.502 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.485 45.987 8.315 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.478 47.652 10.885 1.00 23.55 H new ATOM 0 HG3 GLU A 55 17.037 48.259 9.339 1.00 23.55 H new ATOM 886 N ILE A 56 17.073 43.042 9.749 1.00 9.56 N ATOM 887 CA ILE A 56 17.182 41.684 9.147 1.00 8.91 C ATOM 888 C ILE A 56 16.169 40.745 9.811 1.00 7.70 C ATOM 889 O ILE A 56 15.336 40.163 9.146 1.00 9.84 O ATOM 890 CB ILE A 56 18.603 41.144 9.334 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.549 41.842 8.340 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.613 39.633 9.074 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.092 43.132 8.961 1.00 8.03 C ATOM 0 H ILE A 56 17.889 43.354 10.276 1.00 9.56 H new ATOM 0 HA ILE A 56 16.967 41.744 8.080 1.00 8.91 H new ATOM 0 HB ILE A 56 18.937 41.339 10.353 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.373 41.178 8.080 1.00 6.47 H new ATOM 0 HG13 ILE A 56 19.018 42.068 7.415 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.624 39.248 9.207 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.941 39.139 9.776 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.281 39.437 8.054 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.761 43.623 8.254 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.263 43.799 9.198 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.639 42.894 9.873 1.00 8.03 H new ATOM 905 N GLN A 57 16.212 40.592 11.110 1.00 7.49 N ATOM 906 CA GLN A 57 15.224 39.683 11.766 1.00 6.88 C ATOM 907 C GLN A 57 13.837 40.143 11.357 1.00 9.50 C ATOM 908 O GLN A 57 12.977 39.355 11.015 1.00 11.03 O ATOM 909 CB GLN A 57 15.344 39.773 13.288 1.00 11.02 C ATOM 910 CG GLN A 57 16.813 39.941 13.676 1.00 12.13 C ATOM 911 CD GLN A 57 17.076 39.253 15.019 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.018 38.043 15.116 1.00 17.49 O ATOM 913 NE2 GLN A 57 17.363 39.978 16.065 1.00 17.84 N ATOM 0 H GLN A 57 16.876 41.048 11.736 1.00 7.49 H new ATOM 0 HA GLN A 57 15.409 38.653 11.462 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.760 40.615 13.660 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.936 38.874 13.749 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.454 39.512 12.905 1.00 12.13 H new ATOM 0 HG3 GLN A 57 17.062 41.000 13.744 1.00 12.13 H new ATOM 0 HE21 GLN A 57 17.412 40.994 15.984 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.539 39.529 16.964 1.00 17.84 H new ATOM 922 N ASP A 58 13.625 41.425 11.367 1.00 13.48 N ATOM 923 CA ASP A 58 12.307 41.954 10.954 1.00 13.94 C ATOM 924 C ASP A 58 12.029 41.438 9.548 1.00 13.32 C ATOM 925 O ASP A 58 10.906 41.154 9.183 1.00 14.28 O ATOM 926 CB ASP A 58 12.357 43.482 10.943 1.00 12.80 C ATOM 927 CG ASP A 58 12.227 44.010 12.372 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.107 43.198 13.275 1.00 15.13 O ATOM 929 OD2 ASP A 58 12.252 45.218 12.541 1.00 18.84 O ATOM 0 H ASP A 58 14.310 42.128 11.644 1.00 13.48 H new ATOM 0 HA ASP A 58 11.524 41.634 11.642 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.294 43.822 10.503 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.552 43.878 10.324 1.00 12.80 H new ATOM 934 N TYR A 59 13.061 41.294 8.761 1.00 12.69 N ATOM 935 CA TYR A 59 12.872 40.770 7.381 1.00 10.10 C ATOM 936 C TYR A 59 12.658 39.257 7.455 1.00 7.75 C ATOM 937 O TYR A 59 11.745 38.722 6.857 1.00 5.81 O ATOM 938 CB TYR A 59 14.099 41.079 6.520 1.00 12.40 C ATOM 939 CG TYR A 59 13.804 40.693 5.090 1.00 12.76 C ATOM 940 CD1 TYR A 59 14.072 39.393 4.652 1.00 6.81 C ATOM 941 CD2 TYR A 59 13.258 41.630 4.205 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.794 39.026 3.330 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.979 41.264 2.883 1.00 8.47 C ATOM 944 CZ TYR A 59 13.248 39.962 2.445 1.00 9.37 C ATOM 945 OH TYR A 59 12.973 39.601 1.142 1.00 12.99 O ATOM 0 H TYR A 59 14.024 41.516 9.015 1.00 12.69 H new ATOM 0 HA TYR A 59 12.004 41.248 6.927 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.345 42.139 6.581 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.965 40.529 6.888 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.494 38.670 5.335 1.00 6.81 H new ATOM 0 HD2 TYR A 59 13.052 42.635 4.542 1.00 11.52 H new ATOM 0 HE1 TYR A 59 14.001 38.021 2.993 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.556 41.986 2.201 1.00 8.47 H new ATOM 0 HH TYR A 59 13.602 38.906 0.855 1.00 12.99 H new ATOM 955 N LEU A 60 13.481 38.558 8.198 1.00 10.71 N ATOM 956 CA LEU A 60 13.295 37.083 8.314 1.00 11.04 C ATOM 957 C LEU A 60 11.866 36.826 8.779 1.00 10.32 C ATOM 958 O LEU A 60 11.221 35.880 8.373 1.00 14.61 O ATOM 959 CB LEU A 60 14.266 36.499 9.350 1.00 7.24 C ATOM 960 CG LEU A 60 15.708 36.909 9.032 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.639 36.371 10.124 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.126 36.329 7.679 1.00 7.23 C ATOM 0 H LEU A 60 14.266 38.943 8.724 1.00 10.71 H new ATOM 0 HA LEU A 60 13.488 36.612 7.350 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.995 36.847 10.347 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.185 35.412 9.359 1.00 7.24 H new ATOM 0 HG LEU A 60 15.774 37.996 8.993 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.666 36.660 9.902 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.346 36.785 11.089 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.568 35.284 10.160 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.152 36.624 7.458 1.00 7.23 H new ATOM 0 HD22 LEU A 60 16.060 35.242 7.713 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.464 36.708 6.900 1.00 7.23 H new ATOM 974 N GLN A 61 11.374 37.677 9.631 1.00 10.78 N ATOM 975 CA GLN A 61 9.990 37.522 10.149 1.00 11.72 C ATOM 976 C GLN A 61 8.988 37.560 8.990 1.00 14.05 C ATOM 977 O GLN A 61 8.144 36.697 8.858 1.00 14.24 O ATOM 978 CB GLN A 61 9.702 38.682 11.106 1.00 17.47 C ATOM 979 CG GLN A 61 8.244 38.637 11.566 1.00 25.06 C ATOM 980 CD GLN A 61 8.088 37.623 12.702 1.00 31.26 C ATOM 981 OE1 GLN A 61 7.014 37.466 13.247 1.00 40.45 O ATOM 982 NE2 GLN A 61 9.121 36.922 13.085 1.00 30.05 N ATOM 0 H GLN A 61 11.879 38.485 9.995 1.00 10.78 H new ATOM 0 HA GLN A 61 9.894 36.567 10.666 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.365 38.624 11.969 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.906 39.631 10.610 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.929 39.625 11.903 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.598 38.364 10.731 1.00 25.06 H new ATOM 0 HE21 GLN A 61 10.024 37.053 12.628 1.00 30.05 H new ATOM 0 HE22 GLN A 61 9.025 36.244 13.841 1.00 30.05 H new ATOM 991 N GLN A 62 9.057 38.568 8.167 1.00 15.71 N ATOM 992 CA GLN A 62 8.090 38.682 7.037 1.00 18.54 C ATOM 993 C GLN A 62 8.262 37.520 6.053 1.00 19.36 C ATOM 994 O GLN A 62 7.307 36.868 5.681 1.00 19.52 O ATOM 995 CB GLN A 62 8.329 40.002 6.301 1.00 25.59 C ATOM 996 CG GLN A 62 7.276 40.174 5.205 1.00 34.08 C ATOM 997 CD GLN A 62 7.408 41.566 4.583 1.00 38.28 C ATOM 998 OE1 GLN A 62 7.084 42.556 5.208 1.00 41.81 O ATOM 999 NE2 GLN A 62 7.877 41.684 3.371 1.00 36.81 N ATOM 0 H GLN A 62 9.743 39.321 8.227 1.00 15.71 H new ATOM 0 HA GLN A 62 7.078 38.651 7.441 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.279 40.835 7.002 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.328 40.012 5.865 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.404 39.409 4.440 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.277 40.044 5.622 1.00 34.08 H new ATOM 0 HE21 GLN A 62 8.149 40.853 2.846 1.00 36.81 H new ATOM 0 HE22 GLN A 62 7.972 42.608 2.948 1.00 36.81 H new ATOM 1008 N LEU A 63 9.460 37.270 5.610 1.00 17.09 N ATOM 1009 CA LEU A 63 9.672 36.165 4.627 1.00 16.00 C ATOM 1010 C LEU A 63 9.390 34.806 5.271 1.00 11.34 C ATOM 1011 O LEU A 63 8.940 33.885 4.618 1.00 10.68 O ATOM 1012 CB LEU A 63 11.112 36.196 4.109 1.00 19.91 C ATOM 1013 CG LEU A 63 11.303 35.095 3.048 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.979 35.679 1.805 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.179 33.972 3.613 1.00 19.51 C ATOM 0 H LEU A 63 10.301 37.779 5.882 1.00 17.09 H new ATOM 0 HA LEU A 63 8.982 36.309 3.796 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.333 37.173 3.678 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.809 36.046 4.933 1.00 19.91 H new ATOM 0 HG LEU A 63 10.325 34.696 2.778 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.110 34.894 1.060 1.00 21.25 H new ATOM 0 HD12 LEU A 63 11.356 36.472 1.391 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.952 36.087 2.078 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.310 33.197 2.857 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.153 34.375 3.891 1.00 19.51 H new ATOM 0 HD23 LEU A 63 11.699 33.544 4.493 1.00 19.51 H new ATOM 1027 N THR A 64 9.655 34.670 6.539 1.00 10.04 N ATOM 1028 CA THR A 64 9.408 33.363 7.221 1.00 8.87 C ATOM 1029 C THR A 64 8.231 33.504 8.184 1.00 10.75 C ATOM 1030 O THR A 64 7.146 33.019 7.932 1.00 11.38 O ATOM 1031 CB THR A 64 10.652 32.942 8.013 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.762 33.740 9.183 1.00 6.36 O ATOM 1033 CG2 THR A 64 11.906 33.119 7.157 1.00 6.96 C ATOM 0 H THR A 64 10.032 35.406 7.136 1.00 10.04 H new ATOM 0 HA THR A 64 9.184 32.608 6.468 1.00 8.87 H new ATOM 0 HB THR A 64 10.556 31.893 8.292 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.271 34.552 8.978 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.783 32.817 7.730 1.00 6.96 H new ATOM 0 HG22 THR A 64 11.826 32.501 6.263 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.004 34.165 6.868 1.00 6.96 H new ATOM 1041 N GLY A 65 8.440 34.157 9.292 1.00 10.19 N ATOM 1042 CA GLY A 65 7.342 34.325 10.282 1.00 13.28 C ATOM 1043 C GLY A 65 7.941 34.366 11.686 1.00 14.66 C ATOM 1044 O GLY A 65 7.497 35.105 12.541 1.00 14.79 O ATOM 0 H GLY A 65 9.328 34.583 9.555 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.791 35.244 10.081 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.632 33.502 10.200 1.00 13.28 H new ATOM 1048 N ALA A 66 8.950 33.572 11.927 1.00 12.02 N ATOM 1049 CA ALA A 66 9.588 33.556 13.275 1.00 9.85 C ATOM 1050 C ALA A 66 10.902 34.335 13.238 1.00 14.04 C ATOM 1051 O ALA A 66 11.710 34.179 12.344 1.00 17.81 O ATOM 1052 CB ALA A 66 9.865 32.111 13.690 1.00 13.74 C ATOM 0 H ALA A 66 9.361 32.932 11.247 1.00 12.02 H new ATOM 0 HA ALA A 66 8.915 34.022 13.995 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.331 32.098 14.675 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.927 31.556 13.725 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.534 31.646 12.966 1.00 13.74 H new ATOM 1058 N ARG A 67 11.118 35.165 14.218 1.00 15.81 N ATOM 1059 CA ARG A 67 12.373 35.962 14.283 1.00 16.07 C ATOM 1060 C ARG A 67 13.274 35.363 15.364 1.00 14.37 C ATOM 1061 O ARG A 67 14.009 36.058 16.037 1.00 14.43 O ATOM 1062 CB ARG A 67 12.026 37.410 14.643 1.00 15.97 C ATOM 1063 CG ARG A 67 11.096 37.445 15.873 1.00 17.12 C ATOM 1064 CD ARG A 67 11.813 38.099 17.058 1.00 22.31 C ATOM 1065 NE ARG A 67 12.131 39.516 16.733 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.443 40.347 17.689 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.463 39.937 18.929 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.734 41.587 17.408 1.00 21.50 N ATOM 0 H ARG A 67 10.469 35.327 14.988 1.00 15.81 H new ATOM 0 HA ARG A 67 12.887 35.943 13.322 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.938 37.969 14.852 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.540 37.896 13.797 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.188 38.000 15.636 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.791 36.432 16.137 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.184 38.052 17.947 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.729 37.554 17.287 1.00 22.31 H new ATOM 0 HE ARG A 67 12.105 39.837 15.765 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.235 38.968 19.149 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.707 40.586 19.677 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.718 41.908 16.440 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.978 42.236 18.156 1.00 21.50 H new ATOM 1082 N THR A 68 13.204 34.073 15.543 1.00 13.52 N ATOM 1083 CA THR A 68 14.030 33.406 16.589 1.00 14.97 C ATOM 1084 C THR A 68 15.455 33.169 16.071 1.00 12.85 C ATOM 1085 O THR A 68 15.728 33.285 14.893 1.00 10.80 O ATOM 1086 CB THR A 68 13.377 32.060 16.942 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.183 31.911 16.189 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.041 32.008 18.435 1.00 14.06 C ATOM 0 H THR A 68 12.605 33.447 15.005 1.00 13.52 H new ATOM 0 HA THR A 68 14.085 34.042 17.473 1.00 14.97 H new ATOM 0 HB THR A 68 14.072 31.254 16.707 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.763 31.053 16.409 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.579 31.049 18.671 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.955 32.124 19.018 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.350 32.814 18.681 1.00 14.06 H new ATOM 1096 N VAL A 69 16.358 32.820 16.954 1.00 8.20 N ATOM 1097 CA VAL A 69 17.769 32.549 16.541 1.00 5.92 C ATOM 1098 C VAL A 69 18.058 31.060 16.764 1.00 5.25 C ATOM 1099 O VAL A 69 17.726 30.537 17.802 1.00 5.78 O ATOM 1100 CB VAL A 69 18.726 33.365 17.419 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.136 33.329 16.833 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.245 34.811 17.502 1.00 4.08 C ATOM 0 H VAL A 69 16.176 32.711 17.952 1.00 8.20 H new ATOM 0 HA VAL A 69 17.907 32.821 15.494 1.00 5.92 H new ATOM 0 HB VAL A 69 18.744 32.931 18.419 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.807 33.911 17.464 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.485 32.297 16.787 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.124 33.753 15.829 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.928 35.386 18.127 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.217 35.243 16.502 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.246 34.838 17.937 1.00 4.08 H new ATOM 1112 N PRO A 70 18.673 30.406 15.811 1.00 5.33 N ATOM 1113 CA PRO A 70 19.103 30.993 14.529 1.00 6.04 C ATOM 1114 C PRO A 70 17.958 30.947 13.520 1.00 7.79 C ATOM 1115 O PRO A 70 16.847 30.580 13.835 1.00 7.15 O ATOM 1116 CB PRO A 70 20.208 30.039 14.059 1.00 3.22 C ATOM 1117 CG PRO A 70 19.984 28.698 14.804 1.00 6.88 C ATOM 1118 CD PRO A 70 19.012 28.984 15.960 1.00 6.17 C ATOM 0 HA PRO A 70 19.420 32.031 14.626 1.00 6.04 H new ATOM 0 HB2 PRO A 70 20.162 29.895 12.980 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.193 30.447 14.284 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.572 27.947 14.130 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.928 28.304 15.182 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.124 28.355 15.897 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.475 28.785 16.927 1.00 6.17 H new ATOM 1126 N ARG A 71 18.258 31.259 12.295 1.00 6.15 N ATOM 1127 CA ARG A 71 17.244 31.185 11.210 1.00 7.10 C ATOM 1128 C ARG A 71 17.963 30.548 10.020 1.00 4.23 C ATOM 1129 O ARG A 71 18.780 31.167 9.367 1.00 6.47 O ATOM 1130 CB ARG A 71 16.733 32.596 10.859 1.00 10.23 C ATOM 1131 CG ARG A 71 15.291 32.791 11.362 1.00 15.67 C ATOM 1132 CD ARG A 71 14.332 31.865 10.589 1.00 20.29 C ATOM 1133 NE ARG A 71 13.250 31.326 11.485 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.507 30.843 12.673 1.00 19.78 C ATOM 1135 NH1 ARG A 71 14.726 30.784 13.119 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.530 30.396 13.411 1.00 23.53 N ATOM 0 H ARG A 71 19.182 31.569 11.993 1.00 6.15 H new ATOM 0 HA ARG A 71 16.371 30.601 11.504 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.385 33.346 11.307 1.00 10.23 H new ATOM 0 HB3 ARG A 71 16.771 32.744 9.780 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.237 32.575 12.429 1.00 15.67 H new ATOM 0 HG3 ARG A 71 14.989 33.830 11.232 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.882 32.413 9.762 1.00 20.29 H new ATOM 0 HD3 ARG A 71 14.893 31.038 10.155 1.00 20.29 H new ATOM 0 HE ARG A 71 12.285 31.338 11.155 1.00 26.05 H new ATOM 0 HH11 ARG A 71 15.497 31.117 12.541 1.00 22.60 H new ATOM 0 HH12 ARG A 71 14.912 30.405 14.048 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.572 30.424 13.061 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.723 30.018 14.338 1.00 23.53 H new ATOM 1150 N VAL A 72 17.714 29.291 9.782 1.00 4.55 N ATOM 1151 CA VAL A 72 18.431 28.571 8.691 1.00 6.53 C ATOM 1152 C VAL A 72 17.685 28.671 7.360 1.00 8.68 C ATOM 1153 O VAL A 72 16.501 28.940 7.311 1.00 6.48 O ATOM 1154 CB VAL A 72 18.560 27.105 9.096 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.256 26.331 7.979 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.380 27.002 10.393 1.00 3.35 C ATOM 0 H VAL A 72 17.040 28.727 10.300 1.00 4.55 H new ATOM 0 HA VAL A 72 19.411 29.028 8.551 1.00 6.53 H new ATOM 0 HB VAL A 72 17.570 26.682 9.264 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.349 25.284 8.266 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.669 26.406 7.064 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.248 26.750 7.809 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.472 25.955 10.683 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.372 27.423 10.230 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.877 27.555 11.186 1.00 3.35 H new ATOM 1166 N PHE A 73 18.387 28.456 6.273 1.00 5.39 N ATOM 1167 CA PHE A 73 17.742 28.535 4.932 1.00 6.90 C ATOM 1168 C PHE A 73 18.370 27.524 3.964 1.00 7.16 C ATOM 1169 O PHE A 73 19.303 27.848 3.257 1.00 14.07 O ATOM 1170 CB PHE A 73 17.953 29.932 4.344 1.00 6.44 C ATOM 1171 CG PHE A 73 17.029 30.930 4.997 1.00 9.57 C ATOM 1172 CD1 PHE A 73 15.755 31.155 4.463 1.00 12.42 C ATOM 1173 CD2 PHE A 73 17.455 31.647 6.120 1.00 3.78 C ATOM 1174 CE1 PHE A 73 14.904 32.094 5.056 1.00 11.45 C ATOM 1175 CE2 PHE A 73 16.605 32.589 6.711 1.00 6.98 C ATOM 1176 CZ PHE A 73 15.329 32.812 6.178 1.00 7.54 C ATOM 0 H PHE A 73 19.381 28.229 6.261 1.00 5.39 H new ATOM 0 HA PHE A 73 16.681 28.318 5.057 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.989 30.240 4.487 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.773 29.911 3.269 1.00 6.44 H new ATOM 0 HD1 PHE A 73 15.429 30.604 3.593 1.00 12.42 H new ATOM 0 HD2 PHE A 73 18.439 31.474 6.531 1.00 3.78 H new ATOM 0 HE1 PHE A 73 13.919 32.264 4.647 1.00 11.45 H new ATOM 0 HE2 PHE A 73 16.933 33.144 7.578 1.00 6.98 H new ATOM 0 HZ PHE A 73 14.673 33.539 6.634 1.00 7.54 H new ATOM 1186 N ILE A 74 17.853 26.327 3.872 1.00 5.91 N ATOM 1187 CA ILE A 74 18.435 25.378 2.881 1.00 7.08 C ATOM 1188 C ILE A 74 17.989 25.880 1.515 1.00 8.52 C ATOM 1189 O ILE A 74 16.813 25.900 1.212 1.00 6.64 O ATOM 1190 CB ILE A 74 17.913 23.951 3.107 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.607 23.332 4.323 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.224 23.096 1.876 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.521 24.289 5.507 1.00 9.34 C ATOM 0 H ILE A 74 17.073 25.972 4.425 1.00 5.91 H new ATOM 0 HA ILE A 74 19.520 25.338 2.972 1.00 7.08 H new ATOM 0 HB ILE A 74 16.837 23.988 3.277 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.138 22.381 4.577 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.650 23.120 4.089 1.00 6.27 H new ATOM 0 HG21 ILE A 74 17.855 22.083 2.034 1.00 4.80 H new ATOM 0 HG22 ILE A 74 17.738 23.527 1.001 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.302 23.068 1.715 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.016 23.845 6.371 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.011 25.229 5.252 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.475 24.479 5.746 1.00 9.34 H new ATOM 1205 N GLY A 75 18.894 26.343 0.704 1.00 9.27 N ATOM 1206 CA GLY A 75 18.461 26.898 -0.602 1.00 9.68 C ATOM 1207 C GLY A 75 17.538 28.076 -0.286 1.00 12.42 C ATOM 1208 O GLY A 75 17.649 28.682 0.761 1.00 11.15 O ATOM 0 H GLY A 75 19.898 26.361 0.884 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.319 27.224 -1.189 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.940 26.143 -1.191 1.00 9.68 H new ATOM 1212 N LYS A 76 16.616 28.402 -1.143 1.00 14.40 N ATOM 1213 CA LYS A 76 15.699 29.531 -0.818 1.00 16.68 C ATOM 1214 C LYS A 76 14.563 29.003 0.066 1.00 16.27 C ATOM 1215 O LYS A 76 13.679 29.734 0.465 1.00 14.00 O ATOM 1216 CB LYS A 76 15.126 30.119 -2.111 1.00 23.46 C ATOM 1217 CG LYS A 76 16.191 30.993 -2.796 1.00 30.10 C ATOM 1218 CD LYS A 76 15.959 32.472 -2.456 1.00 38.66 C ATOM 1219 CE LYS A 76 14.903 33.059 -3.397 1.00 42.17 C ATOM 1220 NZ LYS A 76 14.749 34.516 -3.123 1.00 44.86 N ATOM 0 H LYS A 76 16.456 27.946 -2.041 1.00 14.40 H new ATOM 0 HA LYS A 76 16.243 30.313 -0.289 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.814 29.317 -2.780 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.240 30.714 -1.891 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.186 30.689 -2.471 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.151 30.849 -3.876 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.632 32.570 -1.421 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.892 33.027 -2.550 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.198 32.902 -4.435 1.00 42.17 H new ATOM 0 HE3 LYS A 76 13.950 32.549 -3.256 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 14.032 34.915 -3.762 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 14.450 34.654 -2.137 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 15.658 34.997 -3.279 1.00 44.86 H new ATOM 1234 N ASP A 77 14.585 27.728 0.366 1.00 0.00 N ATOM 1235 CA ASP A 77 13.512 27.129 1.218 1.00 0.00 C ATOM 1236 C ASP A 77 13.890 27.215 2.701 1.00 0.00 C ATOM 1237 O ASP A 77 14.835 26.594 3.147 1.00 0.00 O ATOM 1238 CB ASP A 77 13.331 25.659 0.836 1.00 0.00 C ATOM 1239 CG ASP A 77 12.728 25.561 -0.567 1.00 0.00 C ATOM 1240 OD1 ASP A 77 13.486 25.621 -1.521 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.520 25.425 -0.663 1.00 0.00 O ATOM 0 H ASP A 77 15.303 27.074 0.056 1.00 0.00 H new ATOM 0 HA ASP A 77 12.586 27.681 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.291 25.145 0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.681 25.163 1.557 1.00 0.00 H new ATOM 1246 N SER A 78 13.148 27.964 3.472 1.00 0.00 N ATOM 1247 CA SER A 78 13.448 28.074 4.930 1.00 0.00 C ATOM 1248 C SER A 78 13.035 26.778 5.635 1.00 0.00 C ATOM 1249 O SER A 78 12.112 26.107 5.218 1.00 0.00 O ATOM 1250 CB SER A 78 12.669 29.247 5.523 1.00 0.00 C ATOM 1251 OG SER A 78 12.717 29.174 6.942 1.00 0.00 O ATOM 0 H SER A 78 12.345 28.506 3.154 1.00 0.00 H new ATOM 0 HA SER A 78 14.516 28.239 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.094 30.191 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.634 29.221 5.181 1.00 0.00 H new ATOM 0 HG SER A 78 12.219 29.926 7.325 1.00 0.00 H new ATOM 1257 N ILE A 79 13.698 26.425 6.710 1.00 14.84 N ATOM 1258 CA ILE A 79 13.325 25.176 7.444 1.00 16.24 C ATOM 1259 C ILE A 79 12.808 25.545 8.836 1.00 13.64 C ATOM 1260 O ILE A 79 12.072 24.799 9.452 1.00 15.36 O ATOM 1261 CB ILE A 79 14.549 24.263 7.592 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.728 25.047 8.200 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.951 23.716 6.220 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.548 24.126 9.114 1.00 20.45 C ATOM 0 H ILE A 79 14.479 26.946 7.109 1.00 14.84 H new ATOM 0 HA ILE A 79 12.552 24.652 6.882 1.00 16.24 H new ATOM 0 HB ILE A 79 14.294 23.436 8.255 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.361 25.444 7.406 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.356 25.900 8.767 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.821 23.068 6.327 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.123 23.146 5.799 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.196 24.545 5.555 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.380 24.685 9.541 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.913 23.751 9.916 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.934 23.288 8.534 1.00 20.45 H new ATOM 1276 N GLY A 80 13.182 26.695 9.331 1.00 12.42 N ATOM 1277 CA GLY A 80 12.713 27.122 10.682 1.00 13.73 C ATOM 1278 C GLY A 80 13.901 27.626 11.501 1.00 12.94 C ATOM 1279 O GLY A 80 14.832 28.202 10.973 1.00 13.82 O ATOM 0 H GLY A 80 13.794 27.359 8.857 1.00 12.42 H new ATOM 0 HA2 GLY A 80 11.964 27.908 10.586 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.234 26.287 11.193 1.00 13.73 H new ATOM 1283 N GLY A 81 13.874 27.416 12.791 1.00 12.24 N ATOM 1284 CA GLY A 81 15.000 27.881 13.653 1.00 10.24 C ATOM 1285 C GLY A 81 15.898 26.696 14.007 1.00 11.98 C ATOM 1286 O GLY A 81 16.036 25.760 13.244 1.00 12.42 O ATOM 0 H GLY A 81 13.119 26.941 13.286 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.578 28.645 13.133 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.610 28.339 14.562 1.00 10.24 H new ATOM 1290 N SER A 82 16.514 26.727 15.157 1.00 0.00 N ATOM 1291 CA SER A 82 17.404 25.601 15.552 1.00 0.00 C ATOM 1292 C SER A 82 16.562 24.369 15.872 1.00 0.00 C ATOM 1293 O SER A 82 16.703 23.330 15.260 1.00 0.00 O ATOM 1294 CB SER A 82 18.215 25.996 16.787 1.00 0.00 C ATOM 1295 OG SER A 82 18.471 24.839 17.573 1.00 0.00 O ATOM 0 H SER A 82 16.439 27.482 15.838 1.00 0.00 H new ATOM 0 HA SER A 82 18.082 25.374 14.729 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.154 26.460 16.486 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.669 26.734 17.374 1.00 0.00 H new ATOM 0 HG SER A 82 18.992 25.090 18.364 1.00 0.00 H new ATOM 1301 N SER A 83 15.687 24.480 16.827 1.00 0.00 N ATOM 1302 CA SER A 83 14.833 23.316 17.194 1.00 0.00 C ATOM 1303 C SER A 83 14.196 22.746 15.930 1.00 0.00 C ATOM 1304 O SER A 83 13.890 21.573 15.847 1.00 0.00 O ATOM 1305 CB SER A 83 13.742 23.769 18.165 1.00 0.00 C ATOM 1306 OG SER A 83 12.882 22.674 18.450 1.00 0.00 O ATOM 0 H SER A 83 15.524 25.327 17.372 1.00 0.00 H new ATOM 0 HA SER A 83 15.441 22.549 17.673 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.191 24.143 19.085 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.172 24.591 17.732 1.00 0.00 H new ATOM 0 HG SER A 83 12.183 22.961 19.073 1.00 0.00 H new ATOM 1312 N ASP A 84 14.009 23.567 14.940 1.00 12.98 N ATOM 1313 CA ASP A 84 13.412 23.076 13.669 1.00 14.53 C ATOM 1314 C ASP A 84 14.468 22.273 12.904 1.00 11.28 C ATOM 1315 O ASP A 84 14.213 21.190 12.418 1.00 12.09 O ATOM 1316 CB ASP A 84 12.960 24.270 12.824 1.00 17.72 C ATOM 1317 CG ASP A 84 11.763 24.947 13.496 1.00 19.35 C ATOM 1318 OD1 ASP A 84 11.967 25.601 14.505 1.00 21.94 O ATOM 1319 OD2 ASP A 84 10.662 24.797 12.991 1.00 27.06 O ATOM 0 H ASP A 84 14.244 24.559 14.955 1.00 12.98 H new ATOM 0 HA ASP A 84 12.551 22.442 13.882 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.779 24.981 12.713 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.688 23.938 11.822 1.00 17.72 H new ATOM 1324 N LEU A 85 15.654 22.807 12.799 1.00 11.34 N ATOM 1325 CA LEU A 85 16.747 22.100 12.070 1.00 11.04 C ATOM 1326 C LEU A 85 16.956 20.699 12.652 1.00 12.09 C ATOM 1327 O LEU A 85 16.851 19.704 11.962 1.00 11.43 O ATOM 1328 CB LEU A 85 18.047 22.895 12.222 1.00 9.45 C ATOM 1329 CG LEU A 85 19.056 22.458 11.151 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.271 23.390 11.183 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.513 21.018 11.421 1.00 15.31 C ATOM 0 H LEU A 85 15.916 23.712 13.191 1.00 11.34 H new ATOM 0 HA LEU A 85 16.472 22.015 11.019 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.844 23.962 12.129 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.466 22.736 13.215 1.00 9.45 H new ATOM 0 HG LEU A 85 18.581 22.507 10.171 1.00 11.01 H new ATOM 0 HD11 LEU A 85 20.988 23.080 10.423 1.00 12.34 H new ATOM 0 HD12 LEU A 85 19.950 24.413 10.984 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.741 23.342 12.165 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.229 20.714 10.657 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.984 20.964 12.402 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.651 20.352 11.395 1.00 15.31 H new ATOM 1343 N VAL A 86 17.281 20.621 13.912 1.00 0.00 N ATOM 1344 CA VAL A 86 17.539 19.291 14.541 1.00 0.00 C ATOM 1345 C VAL A 86 16.402 18.318 14.221 1.00 0.00 C ATOM 1346 O VAL A 86 16.639 17.203 13.807 1.00 0.00 O ATOM 1347 CB VAL A 86 17.665 19.448 16.068 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.143 19.444 16.471 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.029 20.767 16.513 1.00 0.00 C ATOM 0 H VAL A 86 17.380 21.421 14.537 1.00 0.00 H new ATOM 0 HA VAL A 86 18.470 18.893 14.138 1.00 0.00 H new ATOM 0 HB VAL A 86 17.151 18.616 16.549 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.226 19.555 17.552 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.600 18.502 16.167 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.656 20.271 15.981 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.123 20.870 17.594 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.536 21.599 16.024 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.974 20.773 16.238 1.00 0.00 H new ATOM 1359 N SER A 87 15.178 18.714 14.408 1.00 14.12 N ATOM 1360 CA SER A 87 14.054 17.782 14.115 1.00 14.37 C ATOM 1361 C SER A 87 14.247 17.166 12.724 1.00 13.29 C ATOM 1362 O SER A 87 14.006 15.994 12.512 1.00 11.18 O ATOM 1363 CB SER A 87 12.730 18.554 14.156 1.00 13.30 C ATOM 1364 OG SER A 87 11.714 17.719 14.696 1.00 21.79 O ATOM 0 H SER A 87 14.906 19.636 14.749 1.00 14.12 H new ATOM 0 HA SER A 87 14.035 16.988 14.861 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.839 19.453 14.763 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.454 18.879 13.153 1.00 13.30 H new ATOM 0 HG SER A 87 10.867 18.211 14.725 1.00 21.79 H new ATOM 1370 N LEU A 88 14.661 17.956 11.774 1.00 0.00 N ATOM 1371 CA LEU A 88 14.852 17.439 10.386 1.00 0.00 C ATOM 1372 C LEU A 88 16.109 16.564 10.266 1.00 0.00 C ATOM 1373 O LEU A 88 16.120 15.591 9.539 1.00 0.00 O ATOM 1374 CB LEU A 88 14.973 18.624 9.428 1.00 0.00 C ATOM 1375 CG LEU A 88 13.764 19.550 9.596 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.987 20.829 8.786 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.497 18.844 9.098 1.00 0.00 C ATOM 0 H LEU A 88 14.877 18.945 11.898 1.00 0.00 H new ATOM 0 HA LEU A 88 13.990 16.821 10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.894 19.172 9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.030 18.268 8.399 1.00 0.00 H new ATOM 0 HG LEU A 88 13.645 19.800 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.128 21.489 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.884 21.334 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.108 20.576 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.640 19.506 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.613 18.590 8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.337 17.934 9.676 1.00 0.00 H new ATOM 1389 N GLN A 89 17.175 16.911 10.934 1.00 0.00 N ATOM 1390 CA GLN A 89 18.424 16.099 10.801 1.00 0.00 C ATOM 1391 C GLN A 89 18.174 14.657 11.253 1.00 0.00 C ATOM 1392 O GLN A 89 18.357 13.723 10.498 1.00 0.00 O ATOM 1393 CB GLN A 89 19.537 16.718 11.656 1.00 0.00 C ATOM 1394 CG GLN A 89 20.908 16.270 11.130 1.00 0.00 C ATOM 1395 CD GLN A 89 20.938 14.748 10.970 1.00 0.00 C ATOM 1396 OE1 GLN A 89 20.695 14.021 11.913 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.223 14.232 9.805 1.00 0.00 N ATOM 0 H GLN A 89 17.238 17.713 11.561 1.00 0.00 H new ATOM 0 HA GLN A 89 18.727 16.093 9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.465 17.805 11.631 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.420 16.415 12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.113 16.748 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.692 16.587 11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.427 14.842 9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.242 13.219 9.687 1.00 0.00 H new ATOM 1406 N GLN A 90 17.769 14.462 12.476 1.00 0.00 N ATOM 1407 CA GLN A 90 17.525 13.075 12.961 1.00 0.00 C ATOM 1408 C GLN A 90 16.440 12.418 12.113 1.00 0.00 C ATOM 1409 O GLN A 90 16.368 11.210 12.002 1.00 0.00 O ATOM 1410 CB GLN A 90 17.103 13.101 14.439 1.00 0.00 C ATOM 1411 CG GLN A 90 16.915 14.546 14.903 1.00 0.00 C ATOM 1412 CD GLN A 90 18.280 15.241 14.958 1.00 0.00 C ATOM 1413 OE1 GLN A 90 19.236 14.772 14.373 1.00 0.00 O ATOM 1414 NE2 GLN A 90 18.413 16.345 15.641 1.00 0.00 N ATOM 0 H GLN A 90 17.597 15.200 13.159 1.00 0.00 H new ATOM 0 HA GLN A 90 18.444 12.496 12.871 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.175 12.544 14.571 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.859 12.609 15.051 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.251 15.076 14.220 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.444 14.566 15.886 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.611 16.740 16.133 1.00 0.00 H new ATOM 0 HE22 GLN A 90 19.318 16.813 15.683 1.00 0.00 H new ATOM 1423 N SER A 91 15.601 13.204 11.512 1.00 0.00 N ATOM 1424 CA SER A 91 14.521 12.628 10.663 1.00 0.00 C ATOM 1425 C SER A 91 15.091 12.272 9.289 1.00 0.00 C ATOM 1426 O SER A 91 14.584 11.411 8.599 1.00 0.00 O ATOM 1427 CB SER A 91 13.397 13.650 10.503 1.00 0.00 C ATOM 1428 OG SER A 91 12.837 13.936 11.778 1.00 0.00 O ATOM 0 H SER A 91 15.613 14.222 11.569 1.00 0.00 H new ATOM 0 HA SER A 91 14.126 11.729 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.782 14.563 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.629 13.261 9.835 1.00 0.00 H new ATOM 0 HG SER A 91 12.911 14.896 11.960 1.00 0.00 H new ATOM 1434 N GLY A 92 16.151 12.920 8.895 1.00 19.34 N ATOM 1435 CA GLY A 92 16.771 12.616 7.572 1.00 19.37 C ATOM 1436 C GLY A 92 16.142 13.482 6.479 1.00 22.29 C ATOM 1437 O GLY A 92 16.621 13.529 5.364 1.00 25.64 O ATOM 0 H GLY A 92 16.618 13.650 9.433 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.845 12.797 7.616 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.635 11.561 7.333 1.00 19.37 H new ATOM 1441 N GLU A 93 15.083 14.176 6.785 1.00 22.54 N ATOM 1442 CA GLU A 93 14.443 15.038 5.758 1.00 24.53 C ATOM 1443 C GLU A 93 15.377 16.208 5.442 1.00 23.48 C ATOM 1444 O GLU A 93 15.348 16.775 4.368 1.00 22.85 O ATOM 1445 CB GLU A 93 13.118 15.573 6.301 1.00 27.50 C ATOM 1446 CG GLU A 93 12.346 16.255 5.174 1.00 36.43 C ATOM 1447 CD GLU A 93 11.763 15.195 4.238 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.992 14.376 4.710 1.00 42.86 O ATOM 1449 OE2 GLU A 93 12.100 15.219 3.065 1.00 50.26 O ATOM 0 H GLU A 93 14.634 14.183 7.701 1.00 22.54 H new ATOM 0 HA GLU A 93 14.255 14.462 4.852 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.528 14.757 6.719 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.303 16.280 7.110 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.546 16.869 5.587 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.006 16.922 4.619 1.00 36.43 H new ATOM 1456 N LEU A 94 16.202 16.572 6.382 1.00 24.17 N ATOM 1457 CA LEU A 94 17.147 17.704 6.165 1.00 22.19 C ATOM 1458 C LEU A 94 18.067 17.416 4.984 1.00 22.62 C ATOM 1459 O LEU A 94 18.051 18.107 3.985 1.00 21.76 O ATOM 1460 CB LEU A 94 18.006 17.882 7.409 1.00 23.15 C ATOM 1461 CG LEU A 94 18.776 19.204 7.319 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.802 20.391 7.363 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.762 19.292 8.489 1.00 21.18 C ATOM 0 H LEU A 94 16.263 16.131 7.300 1.00 24.17 H new ATOM 0 HA LEU A 94 16.569 18.605 5.961 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.378 17.875 8.300 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.703 17.049 7.504 1.00 23.15 H new ATOM 0 HG LEU A 94 19.322 19.240 6.376 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.362 21.324 7.298 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.109 20.325 6.524 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.242 20.368 8.298 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.313 20.231 8.431 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.214 19.251 9.430 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.461 18.457 8.439 1.00 21.18 H new ATOM 1475 N LEU A 95 18.887 16.410 5.105 1.00 0.00 N ATOM 1476 CA LEU A 95 19.832 16.090 4.002 1.00 0.00 C ATOM 1477 C LEU A 95 19.040 15.947 2.714 1.00 0.00 C ATOM 1478 O LEU A 95 19.512 16.257 1.638 1.00 0.00 O ATOM 1479 CB LEU A 95 20.575 14.786 4.336 1.00 0.00 C ATOM 1480 CG LEU A 95 19.835 13.561 3.770 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.194 13.361 2.286 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.244 12.316 4.565 1.00 0.00 C ATOM 0 H LEU A 95 18.943 15.797 5.918 1.00 0.00 H new ATOM 0 HA LEU A 95 20.568 16.885 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.585 14.825 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.673 14.687 5.417 1.00 0.00 H new ATOM 0 HG LEU A 95 18.760 13.721 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.664 12.491 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.904 14.246 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.268 13.204 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.723 11.444 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.320 12.166 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.980 12.451 5.614 1.00 0.00 H new ATOM 1494 N THR A 96 17.829 15.502 2.823 1.00 15.75 N ATOM 1495 CA THR A 96 16.990 15.363 1.606 1.00 17.89 C ATOM 1496 C THR A 96 16.777 16.758 1.018 1.00 14.96 C ATOM 1497 O THR A 96 16.935 16.970 -0.164 1.00 17.84 O ATOM 1498 CB THR A 96 15.643 14.721 1.967 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.745 13.312 1.821 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.539 15.247 1.044 1.00 28.03 C ATOM 0 H THR A 96 17.381 15.228 3.698 1.00 15.75 H new ATOM 0 HA THR A 96 17.483 14.722 0.875 1.00 17.89 H new ATOM 0 HB THR A 96 15.392 14.974 2.997 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.888 12.896 2.052 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.590 14.783 1.311 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.458 16.328 1.153 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.783 15.004 0.010 1.00 28.03 H new ATOM 1508 N ARG A 97 16.440 17.714 1.845 1.00 12.39 N ATOM 1509 CA ARG A 97 16.233 19.098 1.336 1.00 13.82 C ATOM 1510 C ARG A 97 17.528 19.564 0.674 1.00 14.98 C ATOM 1511 O ARG A 97 17.520 20.219 -0.346 1.00 16.48 O ATOM 1512 CB ARG A 97 15.887 20.024 2.510 1.00 18.70 C ATOM 1513 CG ARG A 97 15.131 21.258 2.000 1.00 27.27 C ATOM 1514 CD ARG A 97 13.636 20.945 1.897 1.00 36.05 C ATOM 1515 NE ARG A 97 12.881 22.202 1.642 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.649 22.142 1.215 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.087 20.982 1.012 1.00 39.86 N ATOM 1518 NH2 ARG A 97 10.977 23.239 0.995 1.00 40.96 N ATOM 0 H ARG A 97 16.300 17.594 2.848 1.00 12.39 H new ATOM 0 HA ARG A 97 15.417 19.120 0.614 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.277 19.489 3.238 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.799 20.332 3.022 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.290 22.098 2.676 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.518 21.555 1.025 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.458 20.232 1.092 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.287 20.479 2.819 1.00 36.05 H new ATOM 0 HE ARG A 97 13.325 23.107 1.800 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.610 20.124 1.187 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.124 20.933 0.678 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.414 24.146 1.157 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.014 23.189 0.661 1.00 40.96 H new ATOM 1532 N LEU A 98 18.642 19.210 1.245 1.00 12.44 N ATOM 1533 CA LEU A 98 19.946 19.596 0.654 1.00 12.45 C ATOM 1534 C LEU A 98 20.165 18.781 -0.625 1.00 14.25 C ATOM 1535 O LEU A 98 20.737 19.247 -1.590 1.00 12.19 O ATOM 1536 CB LEU A 98 21.053 19.269 1.661 1.00 13.23 C ATOM 1537 CG LEU A 98 21.146 20.369 2.724 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.031 20.190 3.755 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.497 20.275 3.431 1.00 15.05 C ATOM 0 H LEU A 98 18.704 18.664 2.105 1.00 12.44 H new ATOM 0 HA LEU A 98 19.961 20.660 0.420 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.849 18.310 2.137 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.008 19.172 1.144 1.00 13.23 H new ATOM 0 HG LEU A 98 21.043 21.342 2.243 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.102 20.975 4.508 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.063 20.251 3.258 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.132 19.217 4.235 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.567 21.056 4.188 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.591 19.299 3.907 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.298 20.403 2.703 1.00 15.05 H new ATOM 1551 N LYS A 99 19.731 17.549 -0.613 1.00 0.00 N ATOM 1552 CA LYS A 99 19.917 16.652 -1.791 1.00 0.00 C ATOM 1553 C LYS A 99 19.118 17.134 -3.013 1.00 0.00 C ATOM 1554 O LYS A 99 19.661 17.293 -4.088 1.00 0.00 O ATOM 1555 CB LYS A 99 19.455 15.243 -1.412 1.00 0.00 C ATOM 1556 CG LYS A 99 20.028 14.227 -2.400 1.00 0.00 C ATOM 1557 CD LYS A 99 19.385 12.861 -2.154 1.00 0.00 C ATOM 1558 CE LYS A 99 19.808 11.891 -3.258 1.00 0.00 C ATOM 1559 NZ LYS A 99 21.296 11.834 -3.325 1.00 0.00 N ATOM 0 H LYS A 99 19.248 17.120 0.176 1.00 0.00 H new ATOM 0 HA LYS A 99 20.973 16.659 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.781 15.003 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.366 15.194 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.839 14.551 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.109 14.159 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.688 12.475 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.299 12.956 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.404 10.898 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.402 12.215 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.588 10.970 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.653 12.667 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.687 11.825 -2.361 1.00 0.00 H new ATOM 1573 N GLN A 100 17.831 17.329 -2.876 1.00 18.17 N ATOM 1574 CA GLN A 100 17.017 17.753 -4.054 1.00 18.02 C ATOM 1575 C GLN A 100 17.658 18.955 -4.758 1.00 18.05 C ATOM 1576 O GLN A 100 17.568 19.086 -5.962 1.00 19.19 O ATOM 1577 CB GLN A 100 15.586 18.101 -3.615 1.00 20.45 C ATOM 1578 CG GLN A 100 15.584 18.596 -2.167 1.00 29.25 C ATOM 1579 CD GLN A 100 14.393 19.528 -1.940 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.456 20.701 -2.249 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.300 19.051 -1.410 1.00 38.64 N ATOM 0 H GLN A 100 17.312 17.214 -2.006 1.00 18.17 H new ATOM 0 HA GLN A 100 16.980 16.922 -4.758 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.173 18.868 -4.270 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.946 17.224 -3.708 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.530 17.749 -1.483 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.515 19.121 -1.951 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.247 18.066 -1.150 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.499 19.663 -1.255 1.00 38.64 H new ATOM 1590 N ILE A 101 18.306 19.832 -4.036 1.00 0.00 N ATOM 1591 CA ILE A 101 18.941 21.009 -4.703 1.00 0.00 C ATOM 1592 C ILE A 101 20.439 20.748 -4.877 1.00 0.00 C ATOM 1593 O ILE A 101 21.124 21.456 -5.586 1.00 0.00 O ATOM 1594 CB ILE A 101 18.731 22.265 -3.857 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.251 22.023 -2.441 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.240 22.604 -3.802 1.00 0.00 C ATOM 1597 CD1 ILE A 101 18.925 23.233 -1.563 1.00 0.00 C ATOM 0 H ILE A 101 18.423 19.786 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 101 18.482 21.160 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 101 19.275 23.096 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.796 21.125 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.328 21.855 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.093 23.500 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 101 16.870 22.782 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.694 21.772 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.296 23.060 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.401 24.122 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 101 17.845 23.380 -1.533 1.00 0.00 H new ATOM 1609 N GLY A 102 20.947 19.724 -4.248 1.00 11.15 N ATOM 1610 CA GLY A 102 22.397 19.402 -4.390 1.00 12.21 C ATOM 1611 C GLY A 102 23.237 20.319 -3.503 1.00 14.73 C ATOM 1612 O GLY A 102 24.293 20.778 -3.893 1.00 18.54 O ATOM 0 H GLY A 102 20.421 19.095 -3.641 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.573 18.361 -4.118 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.701 19.515 -5.431 1.00 12.21 H new ATOM 1616 N ALA A 103 22.787 20.585 -2.312 1.00 10.84 N ATOM 1617 CA ALA A 103 23.573 21.468 -1.403 1.00 9.88 C ATOM 1618 C ALA A 103 24.612 20.629 -0.657 1.00 9.21 C ATOM 1619 O ALA A 103 25.598 21.138 -0.161 1.00 7.47 O ATOM 1620 CB ALA A 103 22.636 22.130 -0.395 1.00 4.30 C ATOM 0 H ALA A 103 21.911 20.232 -1.926 1.00 10.84 H new ATOM 0 HA ALA A 103 24.075 22.238 -1.989 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.212 22.775 0.268 1.00 4.30 H new ATOM 0 HB2 ALA A 103 21.893 22.726 -0.925 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.133 21.362 0.193 1.00 4.30 H new ATOM 1626 N LEU A 104 24.401 19.345 -0.585 1.00 0.00 N ATOM 1627 CA LEU A 104 25.374 18.459 0.116 1.00 0.00 C ATOM 1628 C LEU A 104 26.328 17.852 -0.914 1.00 0.00 C ATOM 1629 O LEU A 104 26.270 18.168 -2.086 1.00 0.00 O ATOM 1630 CB LEU A 104 24.622 17.341 0.851 1.00 0.00 C ATOM 1631 CG LEU A 104 23.738 16.554 -0.134 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.550 15.449 -0.826 1.00 0.00 C ATOM 1633 CD2 LEU A 104 22.567 15.922 0.629 1.00 0.00 C ATOM 0 H LEU A 104 23.592 18.868 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 104 25.942 19.040 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.334 16.668 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.006 17.767 1.642 1.00 0.00 H new ATOM 0 HG LEU A 104 23.363 17.240 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.908 14.904 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 104 25.378 15.896 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 104 24.941 14.761 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 104 21.939 15.364 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.953 15.246 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 104 21.976 16.706 1.103 1.00 0.00 H new ATOM 1645 N GLN A 105 27.202 16.981 -0.494 1.00 0.00 N ATOM 1646 CA GLN A 105 28.152 16.356 -1.457 1.00 0.00 C ATOM 1647 C GLN A 105 27.446 15.228 -2.211 1.00 0.00 C ATOM 1648 O GLN A 105 26.970 15.480 -3.305 1.00 0.00 O ATOM 1649 CB GLN A 105 29.349 15.786 -0.694 1.00 0.00 C ATOM 1650 CG GLN A 105 30.248 16.928 -0.211 1.00 0.00 C ATOM 1651 CD GLN A 105 31.629 16.376 0.151 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.019 15.326 -0.320 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.390 17.043 0.976 1.00 0.00 N ATOM 1654 OXT GLN A 105 27.393 14.130 -1.681 1.00 0.00 O ATOM 0 H GLN A 105 27.300 16.675 0.474 1.00 0.00 H new ATOM 0 HA GLN A 105 28.497 17.108 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.003 15.198 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 105 29.915 15.113 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.341 17.686 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 105 29.801 17.415 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.063 17.925 1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.311 16.683 1.225 1.00 0.00 H new