USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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 Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 12 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0865 X(o=-0.086,f=-0.43) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.372 F(o=-1.3,f=-0.37) USER MOD Single : A 39 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.3) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.981) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.05 K(o=-3,f=-11!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.376 K(o=0.38,f=-0.15) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.21 (180deg=-0.825) USER MOD Single : A 65 CYS SG : rot 69:sc= 0.11 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.553) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 122 GLN : amide:sc= -6.27! C(o=-6.3!,f=-9.7!) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.500 -8.158 3.460 1.00 24.10 N ATOM 2 CA ASN A 10 -11.072 -7.882 3.452 1.00 3.44 C ATOM 3 C ASN A 10 -10.564 -7.669 2.030 1.00 32.50 C ATOM 4 O ASN A 10 -9.625 -6.906 1.804 1.00 52.50 O ATOM 5 CB ASN A 10 -10.307 -9.029 4.114 1.00 52.50 C ATOM 6 CG ASN A 10 -10.732 -9.255 5.552 1.00 12.20 C ATOM 7 OD1 ASN A 10 -11.348 -8.389 6.172 1.00 3.02 O ATOM 8 ND2 ASN A 10 -10.404 -10.425 6.089 1.00 44.10 N ATOM 0 HA ASN A 10 -10.902 -6.966 4.018 1.00 3.44 H new ATOM 0 HB2 ASN A 10 -10.465 -9.944 3.543 1.00 52.50 H new ATOM 0 HB3 ASN A 10 -9.239 -8.815 4.083 1.00 52.50 H new ATOM 0 HD21 ASN A 10 -10.664 -10.634 7.053 1.00 44.10 H new ATOM 0 HD22 ASN A 10 -9.893 -11.114 5.537 1.00 44.10 H new ATOM 15 N LEU A 11 -11.188 -8.348 1.077 1.00 14.20 N ATOM 16 CA LEU A 11 -10.796 -8.233 -0.323 1.00 14.00 C ATOM 17 C LEU A 11 -11.234 -6.891 -0.902 1.00 13.10 C ATOM 18 O LEU A 11 -10.548 -6.317 -1.749 1.00 70.30 O ATOM 19 CB LEU A 11 -11.408 -9.375 -1.141 1.00 14.10 C ATOM 20 CG LEU A 11 -10.579 -10.659 -1.181 1.00 75.50 C ATOM 21 CD1 LEU A 11 -9.297 -10.442 -1.972 1.00 22.00 C ATOM 22 CD2 LEU A 11 -10.256 -11.129 0.233 1.00 52.10 C ATOM 0 H LEU A 11 -11.967 -8.984 1.247 1.00 14.20 H new ATOM 0 HA LEU A 11 -9.709 -8.296 -0.376 1.00 14.00 H new ATOM 0 HB2 LEU A 11 -12.391 -9.608 -0.732 1.00 14.10 H new ATOM 0 HB3 LEU A 11 -11.562 -9.028 -2.163 1.00 14.10 H new ATOM 0 HG LEU A 11 -11.166 -11.432 -1.678 1.00 75.50 H new ATOM 0 HD11 LEU A 11 -8.720 -11.366 -1.990 1.00 22.00 H new ATOM 0 HD12 LEU A 11 -9.544 -10.149 -2.992 1.00 22.00 H new ATOM 0 HD13 LEU A 11 -8.708 -9.655 -1.501 1.00 22.00 H new ATOM 0 HD21 LEU A 11 -9.666 -12.044 0.186 1.00 52.10 H new ATOM 0 HD22 LEU A 11 -9.688 -10.357 0.752 1.00 52.10 H new ATOM 0 HD23 LEU A 11 -11.183 -11.323 0.773 1.00 52.10 H new ATOM 34 N GLN A 12 -12.376 -6.394 -0.436 1.00 72.30 N ATOM 35 CA GLN A 12 -12.898 -5.115 -0.902 1.00 22.00 C ATOM 36 C GLN A 12 -12.073 -3.956 -0.369 1.00 0.31 C ATOM 37 O GLN A 12 -11.692 -3.055 -1.117 1.00 61.30 O ATOM 38 CB GLN A 12 -14.362 -4.957 -0.477 1.00 61.40 C ATOM 39 CG GLN A 12 -15.342 -5.703 -1.369 1.00 50.20 C ATOM 40 CD GLN A 12 -16.711 -5.853 -0.734 1.00 41.20 C ATOM 41 OE1 GLN A 12 -16.838 -5.870 0.492 1.00 33.50 O ATOM 42 NE2 GLN A 12 -17.738 -5.960 -1.562 1.00 11.30 N ATOM 0 H GLN A 12 -12.956 -6.857 0.263 1.00 72.30 H new ATOM 0 HA GLN A 12 -12.836 -5.102 -1.990 1.00 22.00 H new ATOM 0 HB2 GLN A 12 -14.474 -5.312 0.547 1.00 61.40 H new ATOM 0 HB3 GLN A 12 -14.619 -3.898 -0.477 1.00 61.40 H new ATOM 0 HG2 GLN A 12 -15.441 -5.173 -2.316 1.00 50.20 H new ATOM 0 HG3 GLN A 12 -14.941 -6.691 -1.597 1.00 50.20 H new ATOM 0 HE21 GLN A 12 -17.584 -5.941 -2.570 1.00 11.30 H new ATOM 0 HE22 GLN A 12 -18.683 -6.062 -1.192 1.00 11.30 H new ATOM 51 N LYS A 13 -11.798 -3.983 0.931 1.00 3.31 N ATOM 52 CA LYS A 13 -11.013 -2.931 1.566 1.00 11.40 C ATOM 53 C LYS A 13 -9.616 -2.853 0.961 1.00 41.30 C ATOM 54 O LYS A 13 -9.059 -1.768 0.796 1.00 53.30 O ATOM 55 CB LYS A 13 -10.917 -3.178 3.073 1.00 74.20 C ATOM 56 CG LYS A 13 -12.268 -3.306 3.757 1.00 50.00 C ATOM 57 CD LYS A 13 -13.136 -2.083 3.508 1.00 3.35 C ATOM 58 CE LYS A 13 -14.386 -2.102 4.373 1.00 13.50 C ATOM 59 NZ LYS A 13 -15.537 -2.711 3.669 1.00 50.10 N ATOM 0 H LYS A 13 -12.107 -4.721 1.564 1.00 3.31 H new ATOM 0 HA LYS A 13 -11.517 -1.980 1.392 1.00 11.40 H new ATOM 0 HB2 LYS A 13 -10.343 -4.088 3.247 1.00 74.20 H new ATOM 0 HB3 LYS A 13 -10.363 -2.359 3.532 1.00 74.20 H new ATOM 0 HG2 LYS A 13 -12.779 -4.197 3.392 1.00 50.00 H new ATOM 0 HG3 LYS A 13 -12.123 -3.439 4.829 1.00 50.00 H new ATOM 0 HD2 LYS A 13 -12.562 -1.180 3.716 1.00 3.35 H new ATOM 0 HD3 LYS A 13 -13.420 -2.045 2.456 1.00 3.35 H new ATOM 0 HE2 LYS A 13 -14.185 -2.658 5.289 1.00 13.50 H new ATOM 0 HE3 LYS A 13 -14.639 -1.083 4.668 1.00 13.50 H new ATOM 0 HZ1 LYS A 13 -16.369 -2.704 4.293 1.00 50.10 H new ATOM 0 HZ2 LYS A 13 -15.746 -2.166 2.808 1.00 50.10 H new ATOM 0 HZ3 LYS A 13 -15.306 -3.691 3.410 1.00 50.10 H new ATOM 73 N ALA A 14 -9.053 -4.013 0.634 1.00 42.30 N ATOM 74 CA ALA A 14 -7.720 -4.075 0.047 1.00 12.50 C ATOM 75 C ALA A 14 -7.663 -3.311 -1.270 1.00 65.10 C ATOM 76 O ALA A 14 -6.797 -2.458 -1.468 1.00 22.50 O ATOM 77 CB ALA A 14 -7.304 -5.523 -0.162 1.00 41.20 C ATOM 0 H ALA A 14 -9.499 -4.921 0.766 1.00 42.30 H new ATOM 0 HA ALA A 14 -7.023 -3.603 0.739 1.00 12.50 H new ATOM 0 HB1 ALA A 14 -6.307 -5.555 -0.601 1.00 41.20 H new ATOM 0 HB2 ALA A 14 -7.295 -6.041 0.797 1.00 41.20 H new ATOM 0 HB3 ALA A 14 -8.011 -6.012 -0.832 1.00 41.20 H new ATOM 83 N ILE A 15 -8.591 -3.622 -2.169 1.00 4.42 N ATOM 84 CA ILE A 15 -8.647 -2.964 -3.469 1.00 24.30 C ATOM 85 C ILE A 15 -9.204 -1.549 -3.346 1.00 53.30 C ATOM 86 O ILE A 15 -8.692 -0.614 -3.960 1.00 43.00 O ATOM 87 CB ILE A 15 -9.509 -3.757 -4.464 1.00 53.30 C ATOM 88 CG1 ILE A 15 -9.100 -5.230 -4.459 1.00 75.40 C ATOM 89 CG2 ILE A 15 -9.381 -3.168 -5.859 1.00 34.30 C ATOM 90 CD1 ILE A 15 -7.649 -5.460 -4.799 1.00 63.40 C ATOM 0 H ILE A 15 -9.314 -4.326 -2.021 1.00 4.42 H new ATOM 0 HA ILE A 15 -7.624 -2.918 -3.843 1.00 24.30 H new ATOM 0 HB ILE A 15 -10.553 -3.688 -4.158 1.00 53.30 H new ATOM 0 HG12 ILE A 15 -9.304 -5.651 -3.474 1.00 75.40 H new ATOM 0 HG13 ILE A 15 -9.721 -5.772 -5.172 1.00 75.40 H new ATOM 0 HG21 ILE A 15 -9.997 -3.740 -6.553 1.00 34.30 H new ATOM 0 HG22 ILE A 15 -9.715 -2.130 -5.848 1.00 34.30 H new ATOM 0 HG23 ILE A 15 -8.340 -3.211 -6.178 1.00 34.30 H new ATOM 0 HD11 ILE A 15 -7.435 -6.528 -4.775 1.00 63.40 H new ATOM 0 HD12 ILE A 15 -7.443 -5.071 -5.796 1.00 63.40 H new ATOM 0 HD13 ILE A 15 -7.019 -4.947 -4.072 1.00 63.40 H new ATOM 102 N ASP A 16 -10.256 -1.401 -2.548 1.00 34.20 N ATOM 103 CA ASP A 16 -10.883 -0.101 -2.343 1.00 30.30 C ATOM 104 C ASP A 16 -9.891 0.894 -1.749 1.00 4.34 C ATOM 105 O ASP A 16 -9.818 2.044 -2.179 1.00 43.50 O ATOM 106 CB ASP A 16 -12.100 -0.236 -1.426 1.00 55.20 C ATOM 107 CG ASP A 16 -13.012 0.972 -1.493 1.00 50.20 C ATOM 108 OD1 ASP A 16 -13.819 1.056 -2.442 1.00 21.20 O ATOM 109 OD2 ASP A 16 -12.920 1.837 -0.596 1.00 44.00 O ATOM 0 H ASP A 16 -10.692 -2.166 -2.033 1.00 34.20 H new ATOM 0 HA ASP A 16 -11.209 0.274 -3.313 1.00 30.30 H new ATOM 0 HB2 ASP A 16 -12.662 -1.128 -1.702 1.00 55.20 H new ATOM 0 HB3 ASP A 16 -11.763 -0.377 -0.399 1.00 55.20 H new ATOM 114 N LEU A 17 -9.131 0.442 -0.756 1.00 22.30 N ATOM 115 CA LEU A 17 -8.144 1.293 -0.102 1.00 33.20 C ATOM 116 C LEU A 17 -7.060 1.723 -1.085 1.00 51.40 C ATOM 117 O LEU A 17 -6.622 2.874 -1.077 1.00 63.00 O ATOM 118 CB LEU A 17 -7.512 0.559 1.083 1.00 33.30 C ATOM 119 CG LEU A 17 -8.402 0.442 2.321 1.00 42.40 C ATOM 120 CD1 LEU A 17 -7.817 -0.557 3.306 1.00 30.20 C ATOM 121 CD2 LEU A 17 -8.576 1.803 2.980 1.00 63.10 C ATOM 0 H LEU A 17 -9.180 -0.508 -0.387 1.00 22.30 H new ATOM 0 HA LEU A 17 -8.654 2.185 0.262 1.00 33.20 H new ATOM 0 HB2 LEU A 17 -7.230 -0.443 0.761 1.00 33.30 H new ATOM 0 HB3 LEU A 17 -6.593 1.075 1.362 1.00 33.30 H new ATOM 0 HG LEU A 17 -9.382 0.082 2.009 1.00 42.40 H new ATOM 0 HD11 LEU A 17 -8.464 -0.627 4.181 1.00 30.20 H new ATOM 0 HD12 LEU A 17 -7.742 -1.535 2.831 1.00 30.20 H new ATOM 0 HD13 LEU A 17 -6.825 -0.226 3.614 1.00 30.20 H new ATOM 0 HD21 LEU A 17 -9.212 1.703 3.860 1.00 63.10 H new ATOM 0 HD22 LEU A 17 -7.602 2.190 3.279 1.00 63.10 H new ATOM 0 HD23 LEU A 17 -9.039 2.492 2.274 1.00 63.10 H new ATOM 133 N ALA A 18 -6.632 0.792 -1.931 1.00 51.00 N ATOM 134 CA ALA A 18 -5.600 1.075 -2.921 1.00 64.10 C ATOM 135 C ALA A 18 -6.095 2.074 -3.960 1.00 54.30 C ATOM 136 O ALA A 18 -5.410 3.047 -4.276 1.00 71.40 O ATOM 137 CB ALA A 18 -5.149 -0.212 -3.596 1.00 35.10 C ATOM 0 H ALA A 18 -6.984 -0.165 -1.951 1.00 51.00 H new ATOM 0 HA ALA A 18 -4.749 1.519 -2.405 1.00 64.10 H new ATOM 0 HB1 ALA A 18 -4.378 0.014 -4.333 1.00 35.10 H new ATOM 0 HB2 ALA A 18 -4.746 -0.894 -2.847 1.00 35.10 H new ATOM 0 HB3 ALA A 18 -5.999 -0.680 -4.092 1.00 35.10 H new ATOM 143 N SER A 19 -7.290 1.829 -4.488 1.00 73.30 N ATOM 144 CA SER A 19 -7.877 2.708 -5.492 1.00 42.40 C ATOM 145 C SER A 19 -8.119 4.101 -4.921 1.00 50.10 C ATOM 146 O SER A 19 -7.851 5.108 -5.577 1.00 43.00 O ATOM 147 CB SER A 19 -9.191 2.121 -6.008 1.00 63.00 C ATOM 148 OG SER A 19 -9.410 2.472 -7.364 1.00 10.40 O ATOM 0 H SER A 19 -7.871 1.029 -4.237 1.00 73.30 H new ATOM 0 HA SER A 19 -7.174 2.792 -6.321 1.00 42.40 H new ATOM 0 HB2 SER A 19 -9.172 1.036 -5.909 1.00 63.00 H new ATOM 0 HB3 SER A 19 -10.019 2.482 -5.398 1.00 63.00 H new ATOM 0 HG SER A 19 -10.256 2.083 -7.670 1.00 10.40 H new ATOM 154 N LYS A 20 -8.626 4.152 -3.694 1.00 34.40 N ATOM 155 CA LYS A 20 -8.905 5.423 -3.033 1.00 34.10 C ATOM 156 C LYS A 20 -7.612 6.173 -2.732 1.00 72.20 C ATOM 157 O LYS A 20 -7.583 7.404 -2.732 1.00 32.30 O ATOM 158 CB LYS A 20 -9.686 5.187 -1.739 1.00 54.20 C ATOM 159 CG LYS A 20 -10.713 6.269 -1.445 1.00 34.40 C ATOM 160 CD LYS A 20 -11.255 6.151 -0.030 1.00 2.51 C ATOM 161 CE LYS A 20 -12.657 6.730 0.080 1.00 13.50 C ATOM 162 NZ LYS A 20 -13.513 5.941 1.008 1.00 25.20 N ATOM 0 H LYS A 20 -8.852 3.328 -3.137 1.00 34.40 H new ATOM 0 HA LYS A 20 -9.508 6.032 -3.707 1.00 34.10 H new ATOM 0 HB2 LYS A 20 -10.192 4.224 -1.800 1.00 54.20 H new ATOM 0 HB3 LYS A 20 -8.985 5.127 -0.907 1.00 54.20 H new ATOM 0 HG2 LYS A 20 -10.259 7.250 -1.581 1.00 34.40 H new ATOM 0 HG3 LYS A 20 -11.534 6.196 -2.158 1.00 34.40 H new ATOM 0 HD2 LYS A 20 -11.269 5.103 0.269 1.00 2.51 H new ATOM 0 HD3 LYS A 20 -10.590 6.671 0.660 1.00 2.51 H new ATOM 0 HE2 LYS A 20 -12.598 7.761 0.429 1.00 13.50 H new ATOM 0 HE3 LYS A 20 -13.118 6.754 -0.907 1.00 13.50 H new ATOM 0 HZ1 LYS A 20 -14.460 6.368 1.055 1.00 25.20 H new ATOM 0 HZ2 LYS A 20 -13.591 4.963 0.662 1.00 25.20 H new ATOM 0 HZ3 LYS A 20 -13.087 5.939 1.957 1.00 25.20 H new ATOM 176 N ALA A 21 -6.544 5.425 -2.475 1.00 13.40 N ATOM 177 CA ALA A 21 -5.248 6.020 -2.172 1.00 41.30 C ATOM 178 C ALA A 21 -4.762 6.891 -3.325 1.00 41.30 C ATOM 179 O ALA A 21 -4.438 8.063 -3.136 1.00 61.20 O ATOM 180 CB ALA A 21 -4.230 4.934 -1.862 1.00 45.10 C ATOM 0 H ALA A 21 -6.551 4.405 -2.471 1.00 13.40 H new ATOM 0 HA ALA A 21 -5.363 6.656 -1.294 1.00 41.30 H new ATOM 0 HB1 ALA A 21 -3.267 5.392 -1.638 1.00 45.10 H new ATOM 0 HB2 ALA A 21 -4.566 4.355 -1.002 1.00 45.10 H new ATOM 0 HB3 ALA A 21 -4.127 4.275 -2.724 1.00 45.10 H new ATOM 186 N ALA A 22 -4.715 6.311 -4.520 1.00 72.10 N ATOM 187 CA ALA A 22 -4.268 7.035 -5.702 1.00 35.40 C ATOM 188 C ALA A 22 -5.192 8.209 -6.009 1.00 53.10 C ATOM 189 O ALA A 22 -4.759 9.231 -6.541 1.00 63.10 O ATOM 190 CB ALA A 22 -4.190 6.097 -6.897 1.00 2.31 C ATOM 0 H ALA A 22 -4.981 5.342 -4.694 1.00 72.10 H new ATOM 0 HA ALA A 22 -3.273 7.432 -5.500 1.00 35.40 H new ATOM 0 HB1 ALA A 22 -3.855 6.651 -7.773 1.00 2.31 H new ATOM 0 HB2 ALA A 22 -3.484 5.294 -6.684 1.00 2.31 H new ATOM 0 HB3 ALA A 22 -5.175 5.673 -7.091 1.00 2.31 H new ATOM 196 N GLN A 23 -6.468 8.055 -5.671 1.00 14.40 N ATOM 197 CA GLN A 23 -7.455 9.102 -5.910 1.00 12.40 C ATOM 198 C GLN A 23 -7.093 10.374 -5.151 1.00 1.53 C ATOM 199 O GLN A 23 -7.162 11.475 -5.696 1.00 53.40 O ATOM 200 CB GLN A 23 -8.847 8.624 -5.495 1.00 23.20 C ATOM 201 CG GLN A 23 -9.975 9.464 -6.071 1.00 50.30 C ATOM 202 CD GLN A 23 -10.564 10.425 -5.056 1.00 53.40 C ATOM 203 OE1 GLN A 23 -11.083 10.009 -4.019 1.00 44.00 O ATOM 204 NE2 GLN A 23 -10.486 11.717 -5.350 1.00 33.30 N ATOM 0 H GLN A 23 -6.843 7.215 -5.231 1.00 14.40 H new ATOM 0 HA GLN A 23 -7.459 9.326 -6.977 1.00 12.40 H new ATOM 0 HB2 GLN A 23 -8.977 7.589 -5.813 1.00 23.20 H new ATOM 0 HB3 GLN A 23 -8.916 8.634 -4.407 1.00 23.20 H new ATOM 0 HG2 GLN A 23 -9.603 10.028 -6.926 1.00 50.30 H new ATOM 0 HG3 GLN A 23 -10.761 8.806 -6.441 1.00 50.30 H new ATOM 0 HE21 GLN A 23 -10.047 12.016 -6.221 1.00 33.30 H new ATOM 0 HE22 GLN A 23 -10.865 12.411 -4.705 1.00 33.30 H new ATOM 213 N GLU A 24 -6.707 10.214 -3.889 1.00 24.50 N ATOM 214 CA GLU A 24 -6.336 11.351 -3.054 1.00 70.10 C ATOM 215 C GLU A 24 -5.073 12.025 -3.582 1.00 64.40 C ATOM 216 O GLU A 24 -4.941 13.247 -3.528 1.00 32.30 O ATOM 217 CB GLU A 24 -6.118 10.900 -1.608 1.00 22.10 C ATOM 218 CG GLU A 24 -7.408 10.760 -0.814 1.00 30.40 C ATOM 219 CD GLU A 24 -8.423 9.869 -1.502 1.00 23.30 C ATOM 220 OE1 GLU A 24 -8.939 10.270 -2.566 1.00 14.10 O ATOM 221 OE2 GLU A 24 -8.702 8.772 -0.976 1.00 23.20 O ATOM 0 H GLU A 24 -6.643 9.309 -3.423 1.00 24.50 H new ATOM 0 HA GLU A 24 -7.153 12.072 -3.084 1.00 70.10 H new ATOM 0 HB2 GLU A 24 -5.596 9.943 -1.609 1.00 22.10 H new ATOM 0 HB3 GLU A 24 -5.468 11.617 -1.106 1.00 22.10 H new ATOM 0 HG2 GLU A 24 -7.181 10.353 0.171 1.00 30.40 H new ATOM 0 HG3 GLU A 24 -7.843 11.747 -0.658 1.00 30.40 H new ATOM 228 N ASP A 25 -4.149 11.219 -4.094 1.00 3.02 N ATOM 229 CA ASP A 25 -2.896 11.738 -4.634 1.00 15.40 C ATOM 230 C ASP A 25 -3.159 12.709 -5.780 1.00 33.20 C ATOM 231 O ASP A 25 -2.583 13.795 -5.831 1.00 12.20 O ATOM 232 CB ASP A 25 -2.009 10.588 -5.117 1.00 73.20 C ATOM 233 CG ASP A 25 -0.655 11.067 -5.599 1.00 23.00 C ATOM 234 OD1 ASP A 25 -0.615 11.875 -6.551 1.00 34.40 O ATOM 235 OD2 ASP A 25 0.367 10.634 -5.026 1.00 24.50 O ATOM 0 H ASP A 25 -4.243 10.205 -4.147 1.00 3.02 H new ATOM 0 HA ASP A 25 -2.381 12.275 -3.838 1.00 15.40 H new ATOM 0 HB2 ASP A 25 -1.871 9.874 -4.305 1.00 73.20 H new ATOM 0 HB3 ASP A 25 -2.513 10.059 -5.925 1.00 73.20 H new ATOM 240 N LYS A 26 -4.034 12.311 -6.697 1.00 63.20 N ATOM 241 CA LYS A 26 -4.376 13.146 -7.842 1.00 2.03 C ATOM 242 C LYS A 26 -5.406 14.203 -7.457 1.00 63.10 C ATOM 243 O LYS A 26 -5.421 15.301 -8.013 1.00 60.40 O ATOM 244 CB LYS A 26 -4.914 12.285 -8.986 1.00 50.10 C ATOM 245 CG LYS A 26 -4.715 12.903 -10.360 1.00 41.30 C ATOM 246 CD LYS A 26 -5.572 12.217 -11.410 1.00 14.40 C ATOM 247 CE LYS A 26 -4.996 10.866 -11.803 1.00 50.30 C ATOM 248 NZ LYS A 26 -5.722 10.267 -12.955 1.00 12.30 N ATOM 0 H LYS A 26 -4.520 11.414 -6.669 1.00 63.20 H new ATOM 0 HA LYS A 26 -3.470 13.652 -8.174 1.00 2.03 H new ATOM 0 HB2 LYS A 26 -4.422 11.313 -8.960 1.00 50.10 H new ATOM 0 HB3 LYS A 26 -5.978 12.108 -8.827 1.00 50.10 H new ATOM 0 HG2 LYS A 26 -4.964 13.964 -10.322 1.00 41.30 H new ATOM 0 HG3 LYS A 26 -3.665 12.832 -10.643 1.00 41.30 H new ATOM 0 HD2 LYS A 26 -6.583 12.085 -11.026 1.00 14.40 H new ATOM 0 HD3 LYS A 26 -5.647 12.853 -12.292 1.00 14.40 H new ATOM 0 HE2 LYS A 26 -3.942 10.981 -12.058 1.00 50.30 H new ATOM 0 HE3 LYS A 26 -5.046 10.188 -10.951 1.00 50.30 H new ATOM 0 HZ1 LYS A 26 -5.299 9.347 -13.192 1.00 12.30 H new ATOM 0 HZ2 LYS A 26 -6.722 10.133 -12.703 1.00 12.30 H new ATOM 0 HZ3 LYS A 26 -5.653 10.901 -13.776 1.00 12.30 H new ATOM 262 N ALA A 27 -6.264 13.864 -6.501 1.00 31.40 N ATOM 263 CA ALA A 27 -7.297 14.783 -6.040 1.00 25.00 C ATOM 264 C ALA A 27 -6.683 16.052 -5.459 1.00 14.10 C ATOM 265 O ALA A 27 -6.905 17.151 -5.968 1.00 70.30 O ATOM 266 CB ALA A 27 -8.185 14.104 -5.008 1.00 11.20 C ATOM 0 H ALA A 27 -6.264 12.959 -6.030 1.00 31.40 H new ATOM 0 HA ALA A 27 -7.907 15.066 -6.898 1.00 25.00 H new ATOM 0 HB1 ALA A 27 -8.952 14.802 -4.672 1.00 11.20 H new ATOM 0 HB2 ALA A 27 -8.660 13.230 -5.455 1.00 11.20 H new ATOM 0 HB3 ALA A 27 -7.580 13.792 -4.156 1.00 11.20 H new ATOM 272 N GLY A 28 -5.908 15.894 -4.391 1.00 41.30 N ATOM 273 CA GLY A 28 -5.274 17.036 -3.760 1.00 22.00 C ATOM 274 C GLY A 28 -4.834 16.745 -2.338 1.00 34.20 C ATOM 275 O GLY A 28 -3.883 17.349 -1.840 1.00 71.10 O ATOM 0 H GLY A 28 -5.708 14.996 -3.952 1.00 41.30 H new ATOM 0 HA2 GLY A 28 -4.409 17.339 -4.350 1.00 22.00 H new ATOM 0 HA3 GLY A 28 -5.968 17.877 -3.757 1.00 22.00 H new ATOM 279 N ASN A 29 -5.526 15.819 -1.683 1.00 31.20 N ATOM 280 CA ASN A 29 -5.200 15.451 -0.310 1.00 31.30 C ATOM 281 C ASN A 29 -4.012 14.496 -0.270 1.00 40.30 C ATOM 282 O ASN A 29 -4.175 13.280 -0.361 1.00 21.10 O ATOM 283 CB ASN A 29 -6.411 14.805 0.367 1.00 74.10 C ATOM 284 CG ASN A 29 -7.608 15.734 0.418 1.00 72.10 C ATOM 285 OD1 ASN A 29 -7.690 16.610 1.279 1.00 2.24 O ATOM 286 ND2 ASN A 29 -8.543 15.546 -0.505 1.00 30.00 N ATOM 0 H ASN A 29 -6.316 15.310 -2.080 1.00 31.20 H new ATOM 0 HA ASN A 29 -4.931 16.359 0.229 1.00 31.30 H new ATOM 0 HB2 ASN A 29 -6.682 13.896 -0.170 1.00 74.10 H new ATOM 0 HB3 ASN A 29 -6.142 14.508 1.381 1.00 74.10 H new ATOM 0 HD21 ASN A 29 -9.372 16.140 -0.520 1.00 30.00 H new ATOM 0 HD22 ASN A 29 -8.433 14.807 -1.199 1.00 30.00 H new ATOM 293 N TYR A 30 -2.813 15.056 -0.131 1.00 4.21 N ATOM 294 CA TYR A 30 -1.596 14.254 -0.078 1.00 11.10 C ATOM 295 C TYR A 30 -1.552 13.419 1.197 1.00 4.40 C ATOM 296 O TYR A 30 -1.362 12.204 1.148 1.00 31.50 O ATOM 297 CB TYR A 30 -0.364 15.155 -0.154 1.00 31.50 C ATOM 298 CG TYR A 30 -0.315 16.012 -1.400 1.00 34.20 C ATOM 299 CD1 TYR A 30 -0.660 15.488 -2.639 1.00 40.40 C ATOM 300 CD2 TYR A 30 0.075 17.344 -1.336 1.00 41.20 C ATOM 301 CE1 TYR A 30 -0.617 16.266 -3.780 1.00 30.30 C ATOM 302 CE2 TYR A 30 0.119 18.129 -2.472 1.00 21.20 C ATOM 303 CZ TYR A 30 -0.226 17.586 -3.691 1.00 31.10 C ATOM 304 OH TYR A 30 -0.182 18.364 -4.825 1.00 34.20 O ATOM 0 H TYR A 30 -2.659 16.061 -0.053 1.00 4.21 H new ATOM 0 HA TYR A 30 -1.597 13.579 -0.934 1.00 11.10 H new ATOM 0 HB2 TYR A 30 -0.343 15.802 0.723 1.00 31.50 H new ATOM 0 HB3 TYR A 30 0.532 14.535 -0.114 1.00 31.50 H new ATOM 0 HD1 TYR A 30 -0.967 14.455 -2.712 1.00 40.40 H new ATOM 0 HD2 TYR A 30 0.348 17.773 -0.383 1.00 41.20 H new ATOM 0 HE1 TYR A 30 -0.888 15.843 -4.736 1.00 30.30 H new ATOM 0 HE2 TYR A 30 0.422 19.163 -2.405 1.00 21.20 H new ATOM 0 HH TYR A 30 0.112 19.269 -4.590 1.00 34.20 H new ATOM 314 N GLU A 31 -1.729 14.079 2.337 1.00 51.10 N ATOM 315 CA GLU A 31 -1.711 13.397 3.626 1.00 63.10 C ATOM 316 C GLU A 31 -2.783 12.313 3.682 1.00 10.10 C ATOM 317 O GLU A 31 -2.612 11.291 4.348 1.00 64.40 O ATOM 318 CB GLU A 31 -1.924 14.401 4.760 1.00 4.52 C ATOM 319 CG GLU A 31 -1.120 14.085 6.012 1.00 40.10 C ATOM 320 CD GLU A 31 -1.907 14.325 7.285 1.00 14.00 C ATOM 321 OE1 GLU A 31 -2.912 13.617 7.505 1.00 31.40 O ATOM 322 OE2 GLU A 31 -1.518 15.222 8.063 1.00 24.20 O ATOM 0 H GLU A 31 -1.886 15.085 2.394 1.00 51.10 H new ATOM 0 HA GLU A 31 -0.736 12.925 3.747 1.00 63.10 H new ATOM 0 HB2 GLU A 31 -1.655 15.397 4.408 1.00 4.52 H new ATOM 0 HB3 GLU A 31 -2.983 14.428 5.016 1.00 4.52 H new ATOM 0 HG2 GLU A 31 -0.797 13.044 5.979 1.00 40.10 H new ATOM 0 HG3 GLU A 31 -0.219 14.698 6.025 1.00 40.10 H new ATOM 329 N GLU A 32 -3.885 12.543 2.978 1.00 0.24 N ATOM 330 CA GLU A 32 -4.985 11.587 2.944 1.00 13.20 C ATOM 331 C GLU A 32 -4.620 10.371 2.099 1.00 63.20 C ATOM 332 O GLU A 32 -4.988 9.242 2.425 1.00 65.50 O ATOM 333 CB GLU A 32 -6.246 12.249 2.387 1.00 64.20 C ATOM 334 CG GLU A 32 -7.470 11.348 2.413 1.00 14.30 C ATOM 335 CD GLU A 32 -8.147 11.323 3.770 1.00 34.20 C ATOM 336 OE1 GLU A 32 -7.931 12.268 4.558 1.00 43.40 O ATOM 337 OE2 GLU A 32 -8.895 10.360 4.043 1.00 4.23 O ATOM 0 H GLU A 32 -4.041 13.384 2.422 1.00 0.24 H new ATOM 0 HA GLU A 32 -5.178 11.255 3.964 1.00 13.20 H new ATOM 0 HB2 GLU A 32 -6.457 13.151 2.962 1.00 64.20 H new ATOM 0 HB3 GLU A 32 -6.058 12.563 1.360 1.00 64.20 H new ATOM 0 HG2 GLU A 32 -8.183 11.688 1.662 1.00 14.30 H new ATOM 0 HG3 GLU A 32 -7.177 10.335 2.139 1.00 14.30 H new ATOM 344 N ALA A 33 -3.893 10.610 1.012 1.00 44.10 N ATOM 345 CA ALA A 33 -3.476 9.536 0.119 1.00 74.50 C ATOM 346 C ALA A 33 -2.391 8.678 0.762 1.00 53.00 C ATOM 347 O ALA A 33 -2.329 7.469 0.542 1.00 4.40 O ATOM 348 CB ALA A 33 -2.985 10.109 -1.201 1.00 22.20 C ATOM 0 H ALA A 33 -3.581 11.539 0.729 1.00 44.10 H new ATOM 0 HA ALA A 33 -4.340 8.900 -0.073 1.00 74.50 H new ATOM 0 HB1 ALA A 33 -2.677 9.296 -1.858 1.00 22.20 H new ATOM 0 HB2 ALA A 33 -3.789 10.673 -1.674 1.00 22.20 H new ATOM 0 HB3 ALA A 33 -2.137 10.769 -1.018 1.00 22.20 H new ATOM 354 N LEU A 34 -1.536 9.314 1.557 1.00 62.00 N ATOM 355 CA LEU A 34 -0.453 8.610 2.233 1.00 35.20 C ATOM 356 C LEU A 34 -1.002 7.567 3.201 1.00 44.20 C ATOM 357 O LEU A 34 -0.637 6.394 3.138 1.00 72.10 O ATOM 358 CB LEU A 34 0.437 9.601 2.983 1.00 1.45 C ATOM 359 CG LEU A 34 1.926 9.250 3.003 1.00 32.00 C ATOM 360 CD1 LEU A 34 2.764 10.490 3.269 1.00 73.30 C ATOM 361 CD2 LEU A 34 2.206 8.181 4.049 1.00 72.00 C ATOM 0 H LEU A 34 -1.573 10.315 1.748 1.00 62.00 H new ATOM 0 HA LEU A 34 0.142 8.099 1.477 1.00 35.20 H new ATOM 0 HB2 LEU A 34 0.318 10.586 2.532 1.00 1.45 H new ATOM 0 HB3 LEU A 34 0.084 9.677 4.011 1.00 1.45 H new ATOM 0 HG LEU A 34 2.200 8.855 2.025 1.00 32.00 H new ATOM 0 HD11 LEU A 34 3.820 10.220 3.279 1.00 73.30 H new ATOM 0 HD12 LEU A 34 2.585 11.225 2.484 1.00 73.30 H new ATOM 0 HD13 LEU A 34 2.489 10.915 4.234 1.00 73.30 H new ATOM 0 HD21 LEU A 34 3.270 7.943 4.050 1.00 72.00 H new ATOM 0 HD22 LEU A 34 1.916 8.550 5.033 1.00 72.00 H new ATOM 0 HD23 LEU A 34 1.634 7.284 3.814 1.00 72.00 H new ATOM 373 N GLN A 35 -1.882 8.005 4.097 1.00 35.30 N ATOM 374 CA GLN A 35 -2.481 7.109 5.079 1.00 31.40 C ATOM 375 C GLN A 35 -3.262 5.993 4.391 1.00 42.20 C ATOM 376 O GLN A 35 -3.146 4.824 4.759 1.00 23.10 O ATOM 377 CB GLN A 35 -3.405 7.890 6.015 1.00 15.20 C ATOM 378 CG GLN A 35 -2.662 8.772 7.006 1.00 23.40 C ATOM 379 CD GLN A 35 -2.571 8.150 8.385 1.00 52.30 C ATOM 380 OE1 GLN A 35 -3.558 7.639 8.915 1.00 33.30 O ATOM 381 NE2 GLN A 35 -1.381 8.190 8.976 1.00 0.50 N ATOM 0 H GLN A 35 -2.195 8.974 4.163 1.00 35.30 H new ATOM 0 HA GLN A 35 -1.677 6.660 5.663 1.00 31.40 H new ATOM 0 HB2 GLN A 35 -4.073 8.511 5.418 1.00 15.20 H new ATOM 0 HB3 GLN A 35 -4.030 7.187 6.565 1.00 15.20 H new ATOM 0 HG2 GLN A 35 -1.657 8.966 6.632 1.00 23.40 H new ATOM 0 HG3 GLN A 35 -3.166 9.736 7.079 1.00 23.40 H new ATOM 0 HE21 GLN A 35 -0.590 8.623 8.500 1.00 0.50 H new ATOM 0 HE22 GLN A 35 -1.259 7.787 9.905 1.00 0.50 H new ATOM 390 N LEU A 36 -4.057 6.362 3.393 1.00 40.10 N ATOM 391 CA LEU A 36 -4.856 5.391 2.654 1.00 14.20 C ATOM 392 C LEU A 36 -3.964 4.420 1.890 1.00 71.10 C ATOM 393 O LEU A 36 -4.313 3.254 1.705 1.00 71.40 O ATOM 394 CB LEU A 36 -5.798 6.108 1.685 1.00 4.35 C ATOM 395 CG LEU A 36 -6.961 6.852 2.343 1.00 74.30 C ATOM 396 CD1 LEU A 36 -7.615 7.803 1.352 1.00 53.30 C ATOM 397 CD2 LEU A 36 -7.980 5.867 2.893 1.00 72.30 C ATOM 0 H LEU A 36 -4.166 7.326 3.077 1.00 40.10 H new ATOM 0 HA LEU A 36 -5.447 4.823 3.372 1.00 14.20 H new ATOM 0 HB2 LEU A 36 -5.217 6.819 1.098 1.00 4.35 H new ATOM 0 HB3 LEU A 36 -6.204 5.375 0.988 1.00 4.35 H new ATOM 0 HG LEU A 36 -6.569 7.439 3.173 1.00 74.30 H new ATOM 0 HD11 LEU A 36 -8.440 8.324 1.838 1.00 53.30 H new ATOM 0 HD12 LEU A 36 -6.880 8.530 1.007 1.00 53.30 H new ATOM 0 HD13 LEU A 36 -7.994 7.237 0.501 1.00 53.30 H new ATOM 0 HD21 LEU A 36 -8.801 6.414 3.358 1.00 72.30 H new ATOM 0 HD22 LEU A 36 -8.368 5.253 2.080 1.00 72.30 H new ATOM 0 HD23 LEU A 36 -7.504 5.227 3.636 1.00 72.30 H new ATOM 409 N TYR A 37 -2.809 4.908 1.447 1.00 71.20 N ATOM 410 CA TYR A 37 -1.865 4.082 0.703 1.00 70.40 C ATOM 411 C TYR A 37 -1.412 2.887 1.537 1.00 5.33 C ATOM 412 O TYR A 37 -1.458 1.746 1.079 1.00 51.10 O ATOM 413 CB TYR A 37 -0.653 4.913 0.280 1.00 71.10 C ATOM 414 CG TYR A 37 -0.777 5.503 -1.108 1.00 10.40 C ATOM 415 CD1 TYR A 37 -1.246 4.740 -2.168 1.00 45.20 C ATOM 416 CD2 TYR A 37 -0.424 6.824 -1.355 1.00 42.40 C ATOM 417 CE1 TYR A 37 -1.361 5.275 -3.437 1.00 34.20 C ATOM 418 CE2 TYR A 37 -0.535 7.366 -2.621 1.00 11.50 C ATOM 419 CZ TYR A 37 -1.004 6.589 -3.658 1.00 4.32 C ATOM 420 OH TYR A 37 -1.117 7.126 -4.920 1.00 12.10 O ATOM 0 H TYR A 37 -2.505 5.871 1.591 1.00 71.20 H new ATOM 0 HA TYR A 37 -2.370 3.709 -0.188 1.00 70.40 H new ATOM 0 HB2 TYR A 37 -0.509 5.721 0.997 1.00 71.10 H new ATOM 0 HB3 TYR A 37 0.238 4.287 0.321 1.00 71.10 H new ATOM 0 HD1 TYR A 37 -1.526 3.711 -1.998 1.00 45.20 H new ATOM 0 HD2 TYR A 37 -0.057 7.437 -0.545 1.00 42.40 H new ATOM 0 HE1 TYR A 37 -1.728 4.668 -4.251 1.00 34.20 H new ATOM 0 HE2 TYR A 37 -0.255 8.394 -2.797 1.00 11.50 H new ATOM 0 HH TYR A 37 -0.826 8.062 -4.905 1.00 12.10 H new ATOM 430 N GLN A 38 -0.976 3.158 2.763 1.00 11.10 N ATOM 431 CA GLN A 38 -0.515 2.106 3.660 1.00 35.40 C ATOM 432 C GLN A 38 -1.631 1.105 3.944 1.00 30.40 C ATOM 433 O GLN A 38 -1.386 -0.095 4.066 1.00 3.24 O ATOM 434 CB GLN A 38 -0.009 2.709 4.971 1.00 45.20 C ATOM 435 CG GLN A 38 1.283 3.495 4.821 1.00 4.43 C ATOM 436 CD GLN A 38 1.662 4.240 6.085 1.00 35.00 C ATOM 437 OE1 GLN A 38 1.842 5.552 5.968 1.00 22.10 O flip ATOM 438 NE2 GLN A 38 1.792 3.646 7.154 1.00 50.20 N flip ATOM 0 H GLN A 38 -0.933 4.098 3.158 1.00 11.10 H new ATOM 0 HA GLN A 38 0.305 1.580 3.171 1.00 35.40 H new ATOM 0 HB2 GLN A 38 -0.778 3.365 5.380 1.00 45.20 H new ATOM 0 HB3 GLN A 38 0.145 1.908 5.694 1.00 45.20 H new ATOM 0 HG2 GLN A 38 2.089 2.813 4.550 1.00 4.43 H new ATOM 0 HG3 GLN A 38 1.178 4.206 4.002 1.00 4.43 H new ATOM 0 HE21 GLN A 38 1.644 2.638 7.198 1.00 50.20 H new ATOM 0 HE22 GLN A 38 2.048 4.162 7.996 1.00 50.20 H new ATOM 447 N HIS A 39 -2.857 1.607 4.046 1.00 65.30 N ATOM 448 CA HIS A 39 -4.011 0.758 4.316 1.00 52.50 C ATOM 449 C HIS A 39 -4.215 -0.255 3.194 1.00 55.30 C ATOM 450 O HIS A 39 -4.659 -1.378 3.432 1.00 11.20 O ATOM 451 CB HIS A 39 -5.270 1.610 4.483 1.00 11.10 C ATOM 452 CG HIS A 39 -5.387 2.246 5.835 1.00 14.30 C ATOM 453 ND1 HIS A 39 -6.575 2.321 6.531 1.00 14.30 N ATOM 454 CD2 HIS A 39 -4.456 2.838 6.619 1.00 45.40 C ATOM 455 CE1 HIS A 39 -6.369 2.932 7.684 1.00 51.20 C ATOM 456 NE2 HIS A 39 -5.091 3.255 7.762 1.00 33.10 N ATOM 0 H HIS A 39 -3.077 2.598 3.946 1.00 65.30 H new ATOM 0 HA HIS A 39 -3.822 0.215 5.242 1.00 52.50 H new ATOM 0 HB2 HIS A 39 -5.275 2.390 3.722 1.00 11.10 H new ATOM 0 HB3 HIS A 39 -6.147 0.987 4.306 1.00 11.10 H new ATOM 0 HD2 HIS A 39 -3.408 2.960 6.388 1.00 45.40 H new ATOM 0 HE1 HIS A 39 -7.118 3.133 8.435 1.00 51.20 H new ATOM 0 HE2 HIS A 39 -4.648 3.736 8.545 1.00 33.10 H new ATOM 465 N ALA A 40 -3.886 0.149 1.971 1.00 4.04 N ATOM 466 CA ALA A 40 -4.033 -0.723 0.813 1.00 60.20 C ATOM 467 C ALA A 40 -2.933 -1.779 0.777 1.00 43.30 C ATOM 468 O ALA A 40 -3.190 -2.947 0.484 1.00 1.20 O ATOM 469 CB ALA A 40 -4.021 0.096 -0.469 1.00 33.40 C ATOM 0 H ALA A 40 -3.516 1.075 1.757 1.00 4.04 H new ATOM 0 HA ALA A 40 -4.991 -1.236 0.896 1.00 60.20 H new ATOM 0 HB1 ALA A 40 -4.132 -0.568 -1.326 1.00 33.40 H new ATOM 0 HB2 ALA A 40 -4.846 0.809 -0.453 1.00 33.40 H new ATOM 0 HB3 ALA A 40 -3.077 0.635 -0.547 1.00 33.40 H new ATOM 475 N VAL A 41 -1.709 -1.361 1.077 1.00 45.40 N ATOM 476 CA VAL A 41 -0.570 -2.270 1.079 1.00 12.50 C ATOM 477 C VAL A 41 -0.726 -3.345 2.149 1.00 45.20 C ATOM 478 O VAL A 41 -0.523 -4.530 1.887 1.00 24.40 O ATOM 479 CB VAL A 41 0.752 -1.514 1.317 1.00 10.30 C ATOM 480 CG1 VAL A 41 1.941 -2.444 1.126 1.00 61.40 C ATOM 481 CG2 VAL A 41 0.851 -0.312 0.392 1.00 63.50 C ATOM 0 H VAL A 41 -1.480 -0.398 1.322 1.00 45.40 H new ATOM 0 HA VAL A 41 -0.540 -2.740 0.096 1.00 12.50 H new ATOM 0 HB VAL A 41 0.765 -1.154 2.346 1.00 10.30 H new ATOM 0 HG11 VAL A 41 2.865 -1.893 1.298 1.00 61.40 H new ATOM 0 HG12 VAL A 41 1.874 -3.270 1.834 1.00 61.40 H new ATOM 0 HG13 VAL A 41 1.936 -2.836 0.109 1.00 61.40 H new ATOM 0 HG21 VAL A 41 1.790 0.210 0.573 1.00 63.50 H new ATOM 0 HG22 VAL A 41 0.816 -0.647 -0.645 1.00 63.50 H new ATOM 0 HG23 VAL A 41 0.017 0.364 0.583 1.00 63.50 H new ATOM 491 N GLN A 42 -1.088 -2.923 3.357 1.00 72.50 N ATOM 492 CA GLN A 42 -1.272 -3.850 4.467 1.00 52.00 C ATOM 493 C GLN A 42 -2.366 -4.866 4.153 1.00 62.10 C ATOM 494 O GLN A 42 -2.206 -6.062 4.399 1.00 50.40 O ATOM 495 CB GLN A 42 -1.621 -3.086 5.745 1.00 34.30 C ATOM 496 CG GLN A 42 -2.944 -2.343 5.668 1.00 14.40 C ATOM 497 CD GLN A 42 -3.230 -1.528 6.915 1.00 45.30 C ATOM 498 OE1 GLN A 42 -4.164 -1.820 7.660 1.00 54.00 O ATOM 499 NE2 GLN A 42 -2.423 -0.500 7.147 1.00 63.10 N ATOM 0 H GLN A 42 -1.259 -1.945 3.591 1.00 72.50 H new ATOM 0 HA GLN A 42 -0.335 -4.387 4.617 1.00 52.00 H new ATOM 0 HB2 GLN A 42 -1.656 -3.787 6.579 1.00 34.30 H new ATOM 0 HB3 GLN A 42 -0.825 -2.373 5.961 1.00 34.30 H new ATOM 0 HG2 GLN A 42 -2.935 -1.682 4.801 1.00 14.40 H new ATOM 0 HG3 GLN A 42 -3.750 -3.060 5.514 1.00 14.40 H new ATOM 0 HE21 GLN A 42 -1.660 -0.295 6.502 1.00 63.10 H new ATOM 0 HE22 GLN A 42 -2.565 0.084 7.971 1.00 63.10 H new ATOM 508 N TYR A 43 -3.478 -4.382 3.610 1.00 24.40 N ATOM 509 CA TYR A 43 -4.599 -5.249 3.264 1.00 75.20 C ATOM 510 C TYR A 43 -4.250 -6.138 2.075 1.00 23.30 C ATOM 511 O TYR A 43 -4.698 -7.282 1.989 1.00 71.20 O ATOM 512 CB TYR A 43 -5.840 -4.412 2.945 1.00 72.30 C ATOM 513 CG TYR A 43 -6.766 -4.229 4.127 1.00 73.50 C ATOM 514 CD1 TYR A 43 -6.502 -3.274 5.100 1.00 34.50 C ATOM 515 CD2 TYR A 43 -7.904 -5.013 4.268 1.00 23.10 C ATOM 516 CE1 TYR A 43 -7.347 -3.105 6.181 1.00 20.10 C ATOM 517 CE2 TYR A 43 -8.754 -4.849 5.345 1.00 21.40 C ATOM 518 CZ TYR A 43 -8.471 -3.894 6.299 1.00 54.30 C ATOM 519 OH TYR A 43 -9.313 -3.729 7.374 1.00 50.30 O ATOM 0 H TYR A 43 -3.627 -3.395 3.400 1.00 24.40 H new ATOM 0 HA TYR A 43 -4.812 -5.887 4.122 1.00 75.20 H new ATOM 0 HB2 TYR A 43 -5.525 -3.432 2.586 1.00 72.30 H new ATOM 0 HB3 TYR A 43 -6.390 -4.888 2.133 1.00 72.30 H new ATOM 0 HD1 TYR A 43 -5.623 -2.653 5.011 1.00 34.50 H new ATOM 0 HD2 TYR A 43 -8.128 -5.763 3.524 1.00 23.10 H new ATOM 0 HE1 TYR A 43 -7.127 -2.358 6.930 1.00 20.10 H new ATOM 0 HE2 TYR A 43 -9.636 -5.466 5.439 1.00 21.40 H new ATOM 0 HH TYR A 43 -10.058 -4.362 7.306 1.00 50.30 H new ATOM 529 N PHE A 44 -3.450 -5.604 1.160 1.00 54.10 N ATOM 530 CA PHE A 44 -3.039 -6.346 -0.025 1.00 55.30 C ATOM 531 C PHE A 44 -2.293 -7.620 0.362 1.00 64.40 C ATOM 532 O PHE A 44 -2.641 -8.714 -0.081 1.00 61.20 O ATOM 533 CB PHE A 44 -2.156 -5.470 -0.914 1.00 53.30 C ATOM 534 CG PHE A 44 -2.885 -4.878 -2.088 1.00 42.30 C ATOM 535 CD1 PHE A 44 -3.713 -5.664 -2.872 1.00 62.40 C ATOM 536 CD2 PHE A 44 -2.741 -3.538 -2.404 1.00 45.20 C ATOM 537 CE1 PHE A 44 -4.386 -5.122 -3.952 1.00 44.40 C ATOM 538 CE2 PHE A 44 -3.409 -2.991 -3.483 1.00 54.10 C ATOM 539 CZ PHE A 44 -4.233 -3.784 -4.258 1.00 55.00 C ATOM 0 H PHE A 44 -3.073 -4.658 1.216 1.00 54.10 H new ATOM 0 HA PHE A 44 -3.934 -6.628 -0.579 1.00 55.30 H new ATOM 0 HB2 PHE A 44 -1.736 -4.663 -0.313 1.00 53.30 H new ATOM 0 HB3 PHE A 44 -1.319 -6.065 -1.279 1.00 53.30 H new ATOM 0 HD1 PHE A 44 -3.834 -6.711 -2.638 1.00 62.40 H new ATOM 0 HD2 PHE A 44 -2.099 -2.913 -1.801 1.00 45.20 H new ATOM 0 HE1 PHE A 44 -5.030 -5.744 -4.555 1.00 44.40 H new ATOM 0 HE2 PHE A 44 -3.287 -1.944 -3.720 1.00 54.10 H new ATOM 0 HZ PHE A 44 -4.756 -3.358 -5.101 1.00 55.00 H new ATOM 549 N LEU A 45 -1.265 -7.469 1.189 1.00 64.10 N ATOM 550 CA LEU A 45 -0.469 -8.606 1.635 1.00 14.10 C ATOM 551 C LEU A 45 -1.314 -9.575 2.455 1.00 63.20 C ATOM 552 O LEU A 45 -1.070 -10.778 2.457 1.00 71.20 O ATOM 553 CB LEU A 45 0.725 -8.126 2.463 1.00 54.40 C ATOM 554 CG LEU A 45 1.941 -7.681 1.649 1.00 11.00 C ATOM 555 CD1 LEU A 45 2.578 -8.867 0.950 1.00 2.23 C ATOM 556 CD2 LEU A 45 1.543 -6.617 0.637 1.00 41.50 C ATOM 0 H LEU A 45 -0.963 -6.570 1.564 1.00 64.10 H new ATOM 0 HA LEU A 45 -0.103 -9.130 0.752 1.00 14.10 H new ATOM 0 HB2 LEU A 45 0.402 -7.294 3.089 1.00 54.40 H new ATOM 0 HB3 LEU A 45 1.030 -8.930 3.133 1.00 54.40 H new ATOM 0 HG LEU A 45 2.674 -7.251 2.332 1.00 11.00 H new ATOM 0 HD11 LEU A 45 3.441 -8.530 0.376 1.00 2.23 H new ATOM 0 HD12 LEU A 45 2.898 -9.598 1.692 1.00 2.23 H new ATOM 0 HD13 LEU A 45 1.853 -9.326 0.278 1.00 2.23 H new ATOM 0 HD21 LEU A 45 2.420 -6.312 0.066 1.00 41.50 H new ATOM 0 HD22 LEU A 45 0.792 -7.023 -0.041 1.00 41.50 H new ATOM 0 HD23 LEU A 45 1.131 -5.754 1.160 1.00 41.50 H new ATOM 568 N HIS A 46 -2.311 -9.040 3.152 1.00 70.40 N ATOM 569 CA HIS A 46 -3.193 -9.857 3.977 1.00 12.40 C ATOM 570 C HIS A 46 -3.905 -10.912 3.136 1.00 13.10 C ATOM 571 O HIS A 46 -3.836 -12.102 3.428 1.00 24.10 O ATOM 572 CB HIS A 46 -4.222 -8.976 4.690 1.00 41.10 C ATOM 573 CG HIS A 46 -4.600 -9.478 6.048 1.00 2.30 C ATOM 574 ND1 HIS A 46 -3.826 -9.272 7.170 1.00 55.40 N ATOM 575 CD2 HIS A 46 -5.681 -10.181 6.464 1.00 75.10 C ATOM 576 CE1 HIS A 46 -4.412 -9.826 8.216 1.00 11.50 C ATOM 577 NE2 HIS A 46 -5.538 -10.384 7.816 1.00 21.30 N ATOM 0 H HIS A 46 -2.528 -8.043 3.162 1.00 70.40 H new ATOM 0 HA HIS A 46 -2.582 -10.366 4.723 1.00 12.40 H new ATOM 0 HB2 HIS A 46 -3.822 -7.966 4.783 1.00 41.10 H new ATOM 0 HB3 HIS A 46 -5.119 -8.908 4.074 1.00 41.10 H new ATOM 0 HD2 HIS A 46 -6.502 -10.519 5.848 1.00 75.10 H new ATOM 0 HE1 HIS A 46 -4.033 -9.823 9.227 1.00 11.50 H new ATOM 0 HE2 HIS A 46 -6.196 -10.885 8.413 1.00 21.30 H new ATOM 586 N VAL A 47 -4.591 -10.462 2.090 1.00 51.10 N ATOM 587 CA VAL A 47 -5.316 -11.367 1.206 1.00 4.33 C ATOM 588 C VAL A 47 -4.362 -12.306 0.476 1.00 44.00 C ATOM 589 O VAL A 47 -4.728 -13.426 0.128 1.00 35.40 O ATOM 590 CB VAL A 47 -6.149 -10.592 0.167 1.00 12.40 C ATOM 591 CG1 VAL A 47 -7.280 -9.837 0.846 1.00 63.30 C ATOM 592 CG2 VAL A 47 -5.264 -9.643 -0.626 1.00 41.30 C ATOM 0 H VAL A 47 -4.660 -9.477 1.834 1.00 51.10 H new ATOM 0 HA VAL A 47 -5.987 -11.952 1.836 1.00 4.33 H new ATOM 0 HB VAL A 47 -6.588 -11.308 -0.528 1.00 12.40 H new ATOM 0 HG11 VAL A 47 -7.857 -9.296 0.097 1.00 63.30 H new ATOM 0 HG12 VAL A 47 -7.929 -10.543 1.364 1.00 63.30 H new ATOM 0 HG13 VAL A 47 -6.866 -9.130 1.565 1.00 63.30 H new ATOM 0 HG21 VAL A 47 -5.870 -9.104 -1.355 1.00 41.30 H new ATOM 0 HG22 VAL A 47 -4.794 -8.931 0.053 1.00 41.30 H new ATOM 0 HG23 VAL A 47 -4.493 -10.213 -1.145 1.00 41.30 H new ATOM 602 N VAL A 48 -3.139 -11.839 0.247 1.00 75.10 N ATOM 603 CA VAL A 48 -2.135 -12.637 -0.441 1.00 51.00 C ATOM 604 C VAL A 48 -1.597 -13.736 0.466 1.00 13.10 C ATOM 605 O VAL A 48 -1.462 -14.893 0.050 1.00 40.50 O ATOM 606 CB VAL A 48 -0.959 -11.770 -0.929 1.00 62.20 C ATOM 607 CG1 VAL A 48 0.010 -12.593 -1.764 1.00 20.10 C ATOM 608 CG2 VAL A 48 -1.471 -10.575 -1.720 1.00 20.20 C ATOM 0 H VAL A 48 -2.821 -10.912 0.528 1.00 75.10 H new ATOM 0 HA VAL A 48 -2.626 -13.085 -1.305 1.00 51.00 H new ATOM 0 HB VAL A 48 -0.422 -11.400 -0.056 1.00 62.20 H new ATOM 0 HG11 VAL A 48 0.832 -11.959 -2.097 1.00 20.10 H new ATOM 0 HG12 VAL A 48 0.404 -13.412 -1.162 1.00 20.10 H new ATOM 0 HG13 VAL A 48 -0.511 -12.998 -2.632 1.00 20.10 H new ATOM 0 HG21 VAL A 48 -0.627 -9.973 -2.057 1.00 20.20 H new ATOM 0 HG22 VAL A 48 -2.035 -10.925 -2.584 1.00 20.20 H new ATOM 0 HG23 VAL A 48 -2.118 -9.969 -1.086 1.00 20.20 H new ATOM 618 N LYS A 49 -1.285 -13.382 1.707 1.00 35.40 N ATOM 619 CA LYS A 49 -0.759 -14.339 2.673 1.00 32.30 C ATOM 620 C LYS A 49 -1.852 -15.289 3.149 1.00 24.50 C ATOM 621 O LYS A 49 -1.618 -16.481 3.317 1.00 40.10 O ATOM 622 CB LYS A 49 -0.149 -13.606 3.869 1.00 62.00 C ATOM 623 CG LYS A 49 1.259 -13.094 3.617 1.00 2.10 C ATOM 624 CD LYS A 49 1.677 -12.072 4.663 1.00 51.00 C ATOM 625 CE LYS A 49 2.491 -10.943 4.049 1.00 72.50 C ATOM 626 NZ LYS A 49 3.922 -11.329 3.874 1.00 54.10 N ATOM 0 H LYS A 49 -1.388 -12.434 2.069 1.00 35.40 H new ATOM 0 HA LYS A 49 0.017 -14.925 2.180 1.00 32.30 H new ATOM 0 HB2 LYS A 49 -0.790 -12.765 4.134 1.00 62.00 H new ATOM 0 HB3 LYS A 49 -0.134 -14.278 4.727 1.00 62.00 H new ATOM 0 HG2 LYS A 49 1.958 -13.930 3.625 1.00 2.10 H new ATOM 0 HG3 LYS A 49 1.311 -12.644 2.626 1.00 2.10 H new ATOM 0 HD2 LYS A 49 0.790 -11.661 5.146 1.00 51.00 H new ATOM 0 HD3 LYS A 49 2.263 -12.564 5.439 1.00 51.00 H new ATOM 0 HE2 LYS A 49 2.066 -10.671 3.083 1.00 72.50 H new ATOM 0 HE3 LYS A 49 2.427 -10.060 4.685 1.00 72.50 H new ATOM 0 HZ1 LYS A 49 4.388 -10.654 3.234 1.00 54.10 H new ATOM 0 HZ2 LYS A 49 4.400 -11.317 4.797 1.00 54.10 H new ATOM 0 HZ3 LYS A 49 3.977 -12.285 3.468 1.00 54.10 H new ATOM 640 N TYR A 50 -3.047 -14.750 3.365 1.00 61.20 N ATOM 641 CA TYR A 50 -4.176 -15.551 3.824 1.00 4.25 C ATOM 642 C TYR A 50 -4.859 -16.251 2.655 1.00 34.20 C ATOM 643 O TYR A 50 -5.406 -17.349 2.810 1.00 35.30 O ATOM 644 CB TYR A 50 -5.184 -14.674 4.564 1.00 42.10 C ATOM 645 CG TYR A 50 -4.705 -14.199 5.917 1.00 63.40 C ATOM 646 CD1 TYR A 50 -3.528 -13.471 6.042 1.00 45.40 C ATOM 647 CD2 TYR A 50 -5.423 -14.487 7.070 1.00 53.10 C ATOM 648 CE1 TYR A 50 -3.084 -13.040 7.277 1.00 41.10 C ATOM 649 CE2 TYR A 50 -4.985 -14.060 8.309 1.00 63.30 C ATOM 650 CZ TYR A 50 -3.815 -13.336 8.407 1.00 73.40 C ATOM 651 OH TYR A 50 -3.377 -12.909 9.640 1.00 13.40 O ATOM 0 H TYR A 50 -3.259 -13.761 3.230 1.00 61.20 H new ATOM 0 HA TYR A 50 -3.794 -16.310 4.507 1.00 4.25 H new ATOM 0 HB2 TYR A 50 -5.418 -13.806 3.947 1.00 42.10 H new ATOM 0 HB3 TYR A 50 -6.111 -15.233 4.693 1.00 42.10 H new ATOM 0 HD1 TYR A 50 -2.951 -13.238 5.159 1.00 45.40 H new ATOM 0 HD2 TYR A 50 -6.339 -15.054 6.997 1.00 53.10 H new ATOM 0 HE1 TYR A 50 -2.168 -12.474 7.357 1.00 41.10 H new ATOM 0 HE2 TYR A 50 -5.556 -14.292 9.196 1.00 63.30 H new ATOM 0 HH TYR A 50 -4.008 -13.201 10.330 1.00 13.40 H new ATOM 661 N GLU A 51 -4.816 -15.626 1.485 1.00 33.30 N ATOM 662 CA GLU A 51 -5.430 -16.194 0.291 1.00 24.40 C ATOM 663 C GLU A 51 -4.543 -15.982 -0.932 1.00 24.10 C ATOM 664 O GLU A 51 -4.779 -15.075 -1.732 1.00 43.40 O ATOM 665 CB GLU A 51 -6.805 -15.564 0.054 1.00 35.10 C ATOM 666 CG GLU A 51 -7.530 -16.131 -1.156 1.00 2.02 C ATOM 667 CD GLU A 51 -9.031 -15.928 -1.081 1.00 31.10 C ATOM 668 OE1 GLU A 51 -9.460 -14.789 -0.820 1.00 22.10 O ATOM 669 OE2 GLU A 51 -9.774 -16.915 -1.284 1.00 25.20 O ATOM 0 H GLU A 51 -4.362 -14.725 1.337 1.00 33.30 H new ATOM 0 HA GLU A 51 -5.549 -17.266 0.448 1.00 24.40 H new ATOM 0 HB2 GLU A 51 -7.422 -15.713 0.940 1.00 35.10 H new ATOM 0 HB3 GLU A 51 -6.686 -14.488 -0.075 1.00 35.10 H new ATOM 0 HG2 GLU A 51 -7.147 -15.657 -2.060 1.00 2.02 H new ATOM 0 HG3 GLU A 51 -7.314 -17.196 -1.239 1.00 2.02 H new ATOM 676 N ALA A 52 -3.523 -16.825 -1.071 1.00 40.20 N ATOM 677 CA ALA A 52 -2.603 -16.726 -2.198 1.00 51.00 C ATOM 678 C ALA A 52 -3.072 -17.578 -3.364 1.00 61.40 C ATOM 679 O ALA A 52 -3.260 -18.790 -3.224 1.00 42.30 O ATOM 680 CB ALA A 52 -1.204 -17.135 -1.771 1.00 51.30 C ATOM 0 H ALA A 52 -3.314 -17.581 -0.419 1.00 40.20 H new ATOM 0 HA ALA A 52 -2.581 -15.688 -2.529 1.00 51.00 H new ATOM 0 HB1 ALA A 52 -0.527 -17.057 -2.621 1.00 51.30 H new ATOM 0 HB2 ALA A 52 -0.861 -16.478 -0.972 1.00 51.30 H new ATOM 0 HB3 ALA A 52 -1.219 -18.164 -1.413 1.00 51.30 H new ATOM 686 N GLN A 53 -3.259 -16.953 -4.518 1.00 53.20 N ATOM 687 CA GLN A 53 -3.713 -17.654 -5.713 1.00 33.30 C ATOM 688 C GLN A 53 -2.733 -17.449 -6.865 1.00 65.10 C ATOM 689 O GLN A 53 -2.558 -16.338 -7.355 1.00 53.00 O ATOM 690 CB GLN A 53 -5.108 -17.176 -6.121 1.00 11.40 C ATOM 691 CG GLN A 53 -6.236 -17.968 -5.482 1.00 73.40 C ATOM 692 CD GLN A 53 -6.252 -17.840 -3.970 1.00 21.10 C ATOM 693 OE1 GLN A 53 -5.828 -16.826 -3.415 1.00 51.10 O ATOM 694 NE2 GLN A 53 -6.752 -18.868 -3.298 1.00 74.20 N ATOM 0 H GLN A 53 -3.102 -15.954 -4.653 1.00 53.20 H new ATOM 0 HA GLN A 53 -3.761 -18.718 -5.482 1.00 33.30 H new ATOM 0 HB2 GLN A 53 -5.216 -16.125 -5.852 1.00 11.40 H new ATOM 0 HB3 GLN A 53 -5.201 -17.238 -7.205 1.00 11.40 H new ATOM 0 HG2 GLN A 53 -7.190 -17.624 -5.883 1.00 73.40 H new ATOM 0 HG3 GLN A 53 -6.137 -19.019 -5.753 1.00 73.40 H new ATOM 0 HE21 GLN A 53 -7.092 -19.688 -3.800 1.00 74.20 H new ATOM 0 HE22 GLN A 53 -6.797 -18.838 -2.279 1.00 74.20 H new ATOM 703 N GLY A 54 -2.097 -18.539 -7.294 1.00 52.40 N ATOM 704 CA GLY A 54 -1.146 -18.457 -8.386 1.00 32.50 C ATOM 705 C GLY A 54 0.004 -17.522 -8.083 1.00 52.10 C ATOM 706 O GLY A 54 0.174 -17.085 -6.945 1.00 72.40 O ATOM 0 H GLY A 54 -2.225 -19.473 -6.905 1.00 52.40 H new ATOM 0 HA2 GLY A 54 -0.755 -19.452 -8.599 1.00 32.50 H new ATOM 0 HA3 GLY A 54 -1.659 -18.117 -9.286 1.00 32.50 H new ATOM 710 N ASP A 55 0.803 -17.220 -9.102 1.00 13.40 N ATOM 711 CA ASP A 55 1.946 -16.329 -8.938 1.00 65.40 C ATOM 712 C ASP A 55 1.670 -14.965 -9.554 1.00 45.10 C ATOM 713 O ASP A 55 2.168 -13.941 -9.080 1.00 11.10 O ATOM 714 CB ASP A 55 3.194 -16.950 -9.576 1.00 54.30 C ATOM 715 CG ASP A 55 3.025 -17.168 -11.066 1.00 72.50 C ATOM 716 OD1 ASP A 55 2.485 -18.219 -11.446 1.00 71.40 O ATOM 717 OD2 ASP A 55 3.445 -16.295 -11.849 1.00 11.20 O ATOM 0 H ASP A 55 0.680 -17.579 -10.049 1.00 13.40 H new ATOM 0 HA ASP A 55 2.119 -16.192 -7.871 1.00 65.40 H new ATOM 0 HB2 ASP A 55 4.052 -16.301 -9.400 1.00 54.30 H new ATOM 0 HB3 ASP A 55 3.411 -17.903 -9.093 1.00 54.30 H new ATOM 722 N LYS A 56 0.871 -14.949 -10.613 1.00 1.55 N ATOM 723 CA LYS A 56 0.529 -13.709 -11.294 1.00 45.10 C ATOM 724 C LYS A 56 -0.198 -12.752 -10.354 1.00 64.00 C ATOM 725 O LYS A 56 0.041 -11.544 -10.377 1.00 63.40 O ATOM 726 CB LYS A 56 -0.349 -13.995 -12.513 1.00 12.00 C ATOM 727 CG LYS A 56 -0.089 -13.063 -13.688 1.00 24.00 C ATOM 728 CD LYS A 56 -0.349 -13.764 -15.014 1.00 41.10 C ATOM 729 CE LYS A 56 -0.274 -12.776 -16.171 1.00 5.55 C ATOM 730 NZ LYS A 56 -1.284 -13.086 -17.218 1.00 71.50 N ATOM 0 H LYS A 56 0.447 -15.783 -11.019 1.00 1.55 H new ATOM 0 HA LYS A 56 1.457 -13.240 -11.621 1.00 45.10 H new ATOM 0 HB2 LYS A 56 -0.185 -15.024 -12.834 1.00 12.00 H new ATOM 0 HB3 LYS A 56 -1.396 -13.915 -12.222 1.00 12.00 H new ATOM 0 HG2 LYS A 56 -0.728 -12.184 -13.607 1.00 24.00 H new ATOM 0 HG3 LYS A 56 0.942 -12.711 -13.655 1.00 24.00 H new ATOM 0 HD2 LYS A 56 0.383 -14.559 -15.160 1.00 41.10 H new ATOM 0 HD3 LYS A 56 -1.332 -14.235 -14.995 1.00 41.10 H new ATOM 0 HE2 LYS A 56 -0.434 -11.764 -15.798 1.00 5.55 H new ATOM 0 HE3 LYS A 56 0.724 -12.801 -16.608 1.00 5.55 H new ATOM 0 HZ1 LYS A 56 -1.206 -12.395 -17.991 1.00 71.50 H new ATOM 0 HZ2 LYS A 56 -1.116 -14.042 -17.590 1.00 71.50 H new ATOM 0 HZ3 LYS A 56 -2.238 -13.038 -16.806 1.00 71.50 H new ATOM 744 N ALA A 57 -1.079 -13.292 -9.522 1.00 13.50 N ATOM 745 CA ALA A 57 -1.830 -12.490 -8.569 1.00 4.12 C ATOM 746 C ALA A 57 -0.906 -11.759 -7.612 1.00 73.00 C ATOM 747 O ALA A 57 -1.016 -10.545 -7.427 1.00 23.30 O ATOM 748 CB ALA A 57 -2.810 -13.360 -7.798 1.00 60.40 C ATOM 0 H ALA A 57 -1.291 -14.289 -9.489 1.00 13.50 H new ATOM 0 HA ALA A 57 -2.390 -11.742 -9.131 1.00 4.12 H new ATOM 0 HB1 ALA A 57 -3.364 -12.744 -7.089 1.00 60.40 H new ATOM 0 HB2 ALA A 57 -3.507 -13.828 -8.494 1.00 60.40 H new ATOM 0 HB3 ALA A 57 -2.263 -14.133 -7.257 1.00 60.40 H new ATOM 754 N LYS A 58 0.011 -12.508 -7.002 1.00 40.50 N ATOM 755 CA LYS A 58 0.963 -11.931 -6.059 1.00 45.10 C ATOM 756 C LYS A 58 1.881 -10.932 -6.756 1.00 13.30 C ATOM 757 O LYS A 58 2.315 -9.945 -6.153 1.00 61.50 O ATOM 758 CB LYS A 58 1.796 -13.031 -5.404 1.00 44.00 C ATOM 759 CG LYS A 58 0.962 -14.148 -4.795 1.00 20.00 C ATOM 760 CD LYS A 58 1.685 -15.479 -4.852 1.00 11.10 C ATOM 761 CE LYS A 58 1.001 -16.522 -3.983 1.00 71.00 C ATOM 762 NZ LYS A 58 1.643 -17.863 -4.112 1.00 24.30 N ATOM 0 H LYS A 58 0.114 -13.513 -7.144 1.00 40.50 H new ATOM 0 HA LYS A 58 0.398 -11.405 -5.289 1.00 45.10 H new ATOM 0 HB2 LYS A 58 2.469 -13.456 -6.148 1.00 44.00 H new ATOM 0 HB3 LYS A 58 2.419 -12.589 -4.626 1.00 44.00 H new ATOM 0 HG2 LYS A 58 0.728 -13.905 -3.759 1.00 20.00 H new ATOM 0 HG3 LYS A 58 0.013 -14.226 -5.326 1.00 20.00 H new ATOM 0 HD2 LYS A 58 1.722 -15.830 -5.883 1.00 11.10 H new ATOM 0 HD3 LYS A 58 2.716 -15.349 -4.523 1.00 11.10 H new ATOM 0 HE2 LYS A 58 1.032 -16.203 -2.941 1.00 71.00 H new ATOM 0 HE3 LYS A 58 -0.050 -16.594 -4.263 1.00 71.00 H new ATOM 0 HZ1 LYS A 58 1.147 -18.545 -3.504 1.00 24.30 H new ATOM 0 HZ2 LYS A 58 1.591 -18.179 -5.101 1.00 24.30 H new ATOM 0 HZ3 LYS A 58 2.639 -17.800 -3.821 1.00 24.30 H new ATOM 776 N GLN A 59 2.168 -11.184 -8.028 1.00 73.40 N ATOM 777 CA GLN A 59 3.033 -10.304 -8.806 1.00 43.00 C ATOM 778 C GLN A 59 2.372 -8.945 -9.029 1.00 12.30 C ATOM 779 O GLN A 59 3.053 -7.926 -9.111 1.00 72.10 O ATOM 780 CB GLN A 59 3.371 -10.947 -10.152 1.00 71.40 C ATOM 781 CG GLN A 59 4.352 -10.135 -10.982 1.00 44.00 C ATOM 782 CD GLN A 59 5.635 -9.828 -10.230 1.00 14.00 C ATOM 783 OE1 GLN A 59 6.541 -10.651 -10.154 1.00 61.30 O ATOM 784 NE2 GLN A 59 5.713 -8.628 -9.670 1.00 4.30 N ATOM 0 H GLN A 59 1.814 -11.990 -8.543 1.00 73.40 H new ATOM 0 HA GLN A 59 3.953 -10.151 -8.243 1.00 43.00 H new ATOM 0 HB2 GLN A 59 3.789 -11.939 -9.977 1.00 71.40 H new ATOM 0 HB3 GLN A 59 2.452 -11.084 -10.721 1.00 71.40 H new ATOM 0 HG2 GLN A 59 4.591 -10.682 -11.894 1.00 44.00 H new ATOM 0 HG3 GLN A 59 3.880 -9.201 -11.285 1.00 44.00 H new ATOM 0 HE21 GLN A 59 4.936 -7.973 -9.757 1.00 4.30 H new ATOM 0 HE22 GLN A 59 6.550 -8.360 -9.152 1.00 4.30 H new ATOM 793 N SER A 60 1.050 -8.952 -9.129 1.00 11.30 N ATOM 794 CA SER A 60 0.299 -7.721 -9.345 1.00 32.40 C ATOM 795 C SER A 60 0.209 -6.905 -8.060 1.00 52.10 C ATOM 796 O SER A 60 0.584 -5.732 -8.029 1.00 64.50 O ATOM 797 CB SER A 60 -1.106 -8.039 -9.860 1.00 42.00 C ATOM 798 OG SER A 60 -1.557 -7.043 -10.761 1.00 63.10 O ATOM 0 H SER A 60 0.476 -9.793 -9.064 1.00 11.30 H new ATOM 0 HA SER A 60 0.828 -7.130 -10.093 1.00 32.40 H new ATOM 0 HB2 SER A 60 -1.103 -9.009 -10.357 1.00 42.00 H new ATOM 0 HB3 SER A 60 -1.796 -8.113 -9.020 1.00 42.00 H new ATOM 0 HG SER A 60 -2.456 -7.271 -11.077 1.00 63.10 H new ATOM 804 N ILE A 61 -0.292 -7.531 -7.000 1.00 32.20 N ATOM 805 CA ILE A 61 -0.434 -6.862 -5.712 1.00 50.50 C ATOM 806 C ILE A 61 0.914 -6.364 -5.200 1.00 22.20 C ATOM 807 O ILE A 61 1.004 -5.289 -4.608 1.00 53.40 O ATOM 808 CB ILE A 61 -1.056 -7.796 -4.657 1.00 12.50 C ATOM 809 CG1 ILE A 61 -0.292 -9.121 -4.597 1.00 33.00 C ATOM 810 CG2 ILE A 61 -2.526 -8.038 -4.969 1.00 4.02 C ATOM 811 CD1 ILE A 61 0.622 -9.234 -3.397 1.00 53.50 C ATOM 0 H ILE A 61 -0.607 -8.501 -7.008 1.00 32.20 H new ATOM 0 HA ILE A 61 -1.098 -6.012 -5.870 1.00 50.50 H new ATOM 0 HB ILE A 61 -0.984 -7.316 -3.681 1.00 12.50 H new ATOM 0 HG12 ILE A 61 -1.007 -9.944 -4.578 1.00 33.00 H new ATOM 0 HG13 ILE A 61 0.299 -9.233 -5.506 1.00 33.00 H new ATOM 0 HG21 ILE A 61 -2.954 -8.700 -4.216 1.00 4.02 H new ATOM 0 HG22 ILE A 61 -3.060 -7.088 -4.963 1.00 4.02 H new ATOM 0 HG23 ILE A 61 -2.618 -8.500 -5.952 1.00 4.02 H new ATOM 0 HD11 ILE A 61 1.132 -10.197 -3.417 1.00 53.50 H new ATOM 0 HD12 ILE A 61 1.360 -8.432 -3.425 1.00 53.50 H new ATOM 0 HD13 ILE A 61 0.034 -9.154 -2.483 1.00 53.50 H new ATOM 823 N ARG A 62 1.959 -7.152 -5.430 1.00 72.20 N ATOM 824 CA ARG A 62 3.300 -6.788 -4.991 1.00 54.00 C ATOM 825 C ARG A 62 3.790 -5.539 -5.716 1.00 64.30 C ATOM 826 O ARG A 62 4.285 -4.601 -5.091 1.00 51.30 O ATOM 827 CB ARG A 62 4.269 -7.941 -5.233 1.00 3.13 C ATOM 828 CG ARG A 62 4.295 -8.958 -4.102 1.00 13.40 C ATOM 829 CD ARG A 62 5.700 -9.472 -3.850 1.00 11.40 C ATOM 830 NE ARG A 62 5.917 -10.786 -4.453 1.00 55.40 N ATOM 831 CZ ARG A 62 7.124 -11.309 -4.693 1.00 75.50 C ATOM 832 NH1 ARG A 62 8.218 -10.624 -4.384 1.00 25.00 N ATOM 833 NH2 ARG A 62 7.231 -12.508 -5.245 1.00 62.40 N ATOM 0 H ARG A 62 1.903 -8.046 -5.918 1.00 72.20 H new ATOM 0 HA ARG A 62 3.259 -6.575 -3.923 1.00 54.00 H new ATOM 0 HB2 ARG A 62 3.996 -8.446 -6.159 1.00 3.13 H new ATOM 0 HB3 ARG A 62 5.272 -7.539 -5.373 1.00 3.13 H new ATOM 0 HG2 ARG A 62 3.904 -8.502 -3.192 1.00 13.40 H new ATOM 0 HG3 ARG A 62 3.639 -9.793 -4.347 1.00 13.40 H new ATOM 0 HD2 ARG A 62 6.423 -8.764 -4.254 1.00 11.40 H new ATOM 0 HD3 ARG A 62 5.877 -9.532 -2.776 1.00 11.40 H new ATOM 0 HE ARG A 62 5.097 -11.338 -4.706 1.00 55.40 H new ATOM 0 HH11 ARG A 62 8.138 -9.698 -3.963 1.00 25.00 H new ATOM 0 HH12 ARG A 62 9.139 -11.023 -4.567 1.00 25.00 H new ATOM 0 HH21 ARG A 62 6.392 -13.034 -5.488 1.00 62.40 H new ATOM 0 HH22 ARG A 62 8.153 -12.905 -5.427 1.00 62.40 H new ATOM 847 N ALA A 63 3.647 -5.533 -7.037 1.00 74.40 N ATOM 848 CA ALA A 63 4.073 -4.398 -7.846 1.00 42.10 C ATOM 849 C ALA A 63 3.339 -3.127 -7.434 1.00 11.30 C ATOM 850 O ALA A 63 3.881 -2.025 -7.529 1.00 62.00 O ATOM 851 CB ALA A 63 3.847 -4.686 -9.321 1.00 12.10 C ATOM 0 H ALA A 63 3.239 -6.301 -7.570 1.00 74.40 H new ATOM 0 HA ALA A 63 5.139 -4.243 -7.678 1.00 42.10 H new ATOM 0 HB1 ALA A 63 4.170 -3.829 -9.913 1.00 12.10 H new ATOM 0 HB2 ALA A 63 4.422 -5.565 -9.612 1.00 12.10 H new ATOM 0 HB3 ALA A 63 2.787 -4.870 -9.498 1.00 12.10 H new ATOM 857 N LYS A 64 2.104 -3.288 -6.972 1.00 44.30 N ATOM 858 CA LYS A 64 1.294 -2.153 -6.542 1.00 55.50 C ATOM 859 C LYS A 64 1.724 -1.675 -5.159 1.00 11.40 C ATOM 860 O LYS A 64 1.785 -0.474 -4.897 1.00 22.20 O ATOM 861 CB LYS A 64 -0.187 -2.533 -6.527 1.00 11.30 C ATOM 862 CG LYS A 64 -0.890 -2.291 -7.853 1.00 14.50 C ATOM 863 CD LYS A 64 -0.959 -3.560 -8.687 1.00 70.20 C ATOM 864 CE LYS A 64 -1.992 -3.443 -9.795 1.00 12.40 C ATOM 865 NZ LYS A 64 -3.348 -3.133 -9.262 1.00 2.35 N ATOM 0 H LYS A 64 1.642 -4.193 -6.885 1.00 44.30 H new ATOM 0 HA LYS A 64 1.444 -1.339 -7.252 1.00 55.50 H new ATOM 0 HB2 LYS A 64 -0.281 -3.586 -6.262 1.00 11.30 H new ATOM 0 HB3 LYS A 64 -0.692 -1.962 -5.748 1.00 11.30 H new ATOM 0 HG2 LYS A 64 -1.898 -1.920 -7.669 1.00 14.50 H new ATOM 0 HG3 LYS A 64 -0.362 -1.517 -8.410 1.00 14.50 H new ATOM 0 HD2 LYS A 64 0.020 -3.765 -9.121 1.00 70.20 H new ATOM 0 HD3 LYS A 64 -1.207 -4.405 -8.045 1.00 70.20 H new ATOM 0 HE2 LYS A 64 -1.689 -2.662 -10.492 1.00 12.40 H new ATOM 0 HE3 LYS A 64 -2.028 -4.376 -10.357 1.00 12.40 H new ATOM 0 HZ1 LYS A 64 -4.070 -3.482 -9.925 1.00 2.35 H new ATOM 0 HZ2 LYS A 64 -3.472 -3.596 -8.339 1.00 2.35 H new ATOM 0 HZ3 LYS A 64 -3.450 -2.104 -9.150 1.00 2.35 H new ATOM 879 N CYS A 65 2.023 -2.625 -4.277 1.00 21.20 N ATOM 880 CA CYS A 65 2.447 -2.301 -2.921 1.00 11.10 C ATOM 881 C CYS A 65 3.812 -1.621 -2.926 1.00 42.20 C ATOM 882 O CYS A 65 4.030 -0.637 -2.219 1.00 31.40 O ATOM 883 CB CYS A 65 2.498 -3.568 -2.064 1.00 63.20 C ATOM 884 SG CYS A 65 0.893 -4.367 -1.833 1.00 21.00 S ATOM 0 H CYS A 65 1.979 -3.624 -4.478 1.00 21.20 H new ATOM 0 HA CYS A 65 1.719 -1.611 -2.494 1.00 11.10 H new ATOM 0 HB2 CYS A 65 3.183 -4.279 -2.526 1.00 63.20 H new ATOM 0 HB3 CYS A 65 2.911 -3.317 -1.087 1.00 63.20 H new ATOM 0 HG CYS A 65 0.497 -4.879 -2.960 1.00 21.00 H new ATOM 890 N THR A 66 4.729 -2.153 -3.728 1.00 73.00 N ATOM 891 CA THR A 66 6.074 -1.597 -3.826 1.00 22.50 C ATOM 892 C THR A 66 6.033 -0.170 -4.362 1.00 33.40 C ATOM 893 O THR A 66 6.763 0.703 -3.891 1.00 65.20 O ATOM 894 CB THR A 66 6.946 -2.471 -4.729 1.00 30.50 C ATOM 895 OG1 THR A 66 8.297 -2.044 -4.689 1.00 21.40 O ATOM 896 CG2 THR A 66 6.507 -2.467 -6.177 1.00 21.10 C ATOM 0 H THR A 66 4.565 -2.968 -4.319 1.00 73.00 H new ATOM 0 HA THR A 66 6.507 -1.578 -2.826 1.00 22.50 H new ATOM 0 HB THR A 66 6.839 -3.483 -4.338 1.00 30.50 H new ATOM 0 HG1 THR A 66 8.838 -2.616 -5.272 1.00 21.40 H new ATOM 0 HG21 THR A 66 7.169 -3.107 -6.760 1.00 21.10 H new ATOM 0 HG22 THR A 66 5.486 -2.841 -6.249 1.00 21.10 H new ATOM 0 HG23 THR A 66 6.549 -1.450 -6.567 1.00 21.10 H new ATOM 904 N GLU A 67 5.177 0.058 -5.353 1.00 24.20 N ATOM 905 CA GLU A 67 5.040 1.378 -5.956 1.00 62.10 C ATOM 906 C GLU A 67 4.359 2.349 -4.997 1.00 62.40 C ATOM 907 O GLU A 67 4.869 3.437 -4.732 1.00 62.10 O ATOM 908 CB GLU A 67 4.242 1.283 -7.257 1.00 14.10 C ATOM 909 CG GLU A 67 4.591 2.366 -8.265 1.00 13.00 C ATOM 910 CD GLU A 67 4.365 1.921 -9.694 1.00 22.20 C ATOM 911 OE1 GLU A 67 3.593 0.960 -9.903 1.00 60.40 O ATOM 912 OE2 GLU A 67 4.956 2.533 -10.601 1.00 12.30 O ATOM 0 H GLU A 67 4.568 -0.655 -5.755 1.00 24.20 H new ATOM 0 HA GLU A 67 6.039 1.756 -6.175 1.00 62.10 H new ATOM 0 HB2 GLU A 67 4.416 0.307 -7.710 1.00 14.10 H new ATOM 0 HB3 GLU A 67 3.178 1.342 -7.026 1.00 14.10 H new ATOM 0 HG2 GLU A 67 3.989 3.252 -8.064 1.00 13.00 H new ATOM 0 HG3 GLU A 67 5.635 2.654 -8.138 1.00 13.00 H new ATOM 919 N TYR A 68 3.203 1.946 -4.477 1.00 53.40 N ATOM 920 CA TYR A 68 2.453 2.782 -3.546 1.00 63.20 C ATOM 921 C TYR A 68 3.273 3.070 -2.293 1.00 51.30 C ATOM 922 O TYR A 68 3.146 4.133 -1.686 1.00 50.30 O ATOM 923 CB TYR A 68 1.137 2.101 -3.163 1.00 64.10 C ATOM 924 CG TYR A 68 0.151 2.000 -4.306 1.00 73.10 C ATOM 925 CD1 TYR A 68 -0.043 3.062 -5.179 1.00 10.40 C ATOM 926 CD2 TYR A 68 -0.587 0.841 -4.508 1.00 23.40 C ATOM 927 CE1 TYR A 68 -0.944 2.973 -6.223 1.00 44.30 C ATOM 928 CE2 TYR A 68 -1.490 0.743 -5.550 1.00 31.10 C ATOM 929 CZ TYR A 68 -1.664 1.811 -6.405 1.00 43.40 C ATOM 930 OH TYR A 68 -2.562 1.718 -7.443 1.00 1.24 O ATOM 0 H TYR A 68 2.766 1.048 -4.684 1.00 53.40 H new ATOM 0 HA TYR A 68 2.234 3.728 -4.041 1.00 63.20 H new ATOM 0 HB2 TYR A 68 1.351 1.100 -2.790 1.00 64.10 H new ATOM 0 HB3 TYR A 68 0.676 2.654 -2.345 1.00 64.10 H new ATOM 0 HD1 TYR A 68 0.520 3.973 -5.040 1.00 10.40 H new ATOM 0 HD2 TYR A 68 -0.453 0.003 -3.840 1.00 23.40 H new ATOM 0 HE1 TYR A 68 -1.084 3.809 -6.893 1.00 44.30 H new ATOM 0 HE2 TYR A 68 -2.056 -0.165 -5.694 1.00 31.10 H new ATOM 0 HH TYR A 68 -2.985 0.834 -7.431 1.00 1.24 H new ATOM 940 N LEU A 69 4.115 2.115 -1.911 1.00 20.30 N ATOM 941 CA LEU A 69 4.956 2.266 -0.730 1.00 25.00 C ATOM 942 C LEU A 69 5.981 3.377 -0.931 1.00 51.10 C ATOM 943 O LEU A 69 6.241 4.166 -0.023 1.00 23.10 O ATOM 944 CB LEU A 69 5.670 0.949 -0.416 1.00 62.50 C ATOM 945 CG LEU A 69 4.875 -0.027 0.455 1.00 34.00 C ATOM 946 CD1 LEU A 69 5.529 -1.399 0.451 1.00 13.10 C ATOM 947 CD2 LEU A 69 4.756 0.506 1.875 1.00 2.41 C ATOM 0 H LEU A 69 4.233 1.229 -2.402 1.00 20.30 H new ATOM 0 HA LEU A 69 4.316 2.534 0.110 1.00 25.00 H new ATOM 0 HB2 LEU A 69 5.918 0.455 -1.355 1.00 62.50 H new ATOM 0 HB3 LEU A 69 6.612 1.174 0.084 1.00 62.50 H new ATOM 0 HG LEU A 69 3.872 -0.125 0.039 1.00 34.00 H new ATOM 0 HD11 LEU A 69 4.950 -2.080 1.075 1.00 13.10 H new ATOM 0 HD12 LEU A 69 5.564 -1.783 -0.569 1.00 13.10 H new ATOM 0 HD13 LEU A 69 6.543 -1.320 0.844 1.00 13.10 H new ATOM 0 HD21 LEU A 69 4.188 -0.199 2.482 1.00 2.41 H new ATOM 0 HD22 LEU A 69 5.751 0.632 2.301 1.00 2.41 H new ATOM 0 HD23 LEU A 69 4.243 1.468 1.861 1.00 2.41 H new ATOM 959 N ASP A 70 6.560 3.434 -2.126 1.00 40.40 N ATOM 960 CA ASP A 70 7.556 4.449 -2.445 1.00 1.04 C ATOM 961 C ASP A 70 6.968 5.850 -2.310 1.00 41.50 C ATOM 962 O ASP A 70 7.602 6.750 -1.759 1.00 0.23 O ATOM 963 CB ASP A 70 8.089 4.241 -3.864 1.00 42.20 C ATOM 964 CG ASP A 70 9.249 3.266 -3.909 1.00 42.40 C ATOM 965 OD1 ASP A 70 9.130 2.173 -3.315 1.00 51.40 O ATOM 966 OD2 ASP A 70 10.277 3.595 -4.538 1.00 12.30 O ATOM 0 H ASP A 70 6.356 2.789 -2.889 1.00 40.40 H new ATOM 0 HA ASP A 70 8.379 4.351 -1.737 1.00 1.04 H new ATOM 0 HB2 ASP A 70 7.284 3.874 -4.501 1.00 42.20 H new ATOM 0 HB3 ASP A 70 8.408 5.200 -4.274 1.00 42.20 H new ATOM 971 N ARG A 71 5.752 6.027 -2.818 1.00 23.20 N ATOM 972 CA ARG A 71 5.079 7.318 -2.755 1.00 25.50 C ATOM 973 C ARG A 71 4.750 7.690 -1.312 1.00 72.00 C ATOM 974 O ARG A 71 4.773 8.864 -0.943 1.00 14.30 O ATOM 975 CB ARG A 71 3.798 7.292 -3.591 1.00 51.20 C ATOM 976 CG ARG A 71 4.014 7.672 -5.046 1.00 2.23 C ATOM 977 CD ARG A 71 2.824 7.278 -5.907 1.00 72.40 C ATOM 978 NE ARG A 71 2.557 8.261 -6.954 1.00 33.00 N ATOM 979 CZ ARG A 71 3.341 8.451 -8.009 1.00 4.51 C ATOM 980 NH1 ARG A 71 4.444 7.727 -8.165 1.00 43.10 N ATOM 981 NH2 ARG A 71 3.023 9.365 -8.913 1.00 51.30 N ATOM 0 H ARG A 71 5.214 5.292 -3.277 1.00 23.20 H new ATOM 0 HA ARG A 71 5.754 8.071 -3.162 1.00 25.50 H new ATOM 0 HB2 ARG A 71 3.365 6.293 -3.546 1.00 51.20 H new ATOM 0 HB3 ARG A 71 3.072 7.975 -3.150 1.00 51.20 H new ATOM 0 HG2 ARG A 71 4.179 8.747 -5.122 1.00 2.23 H new ATOM 0 HG3 ARG A 71 4.913 7.184 -5.421 1.00 2.23 H new ATOM 0 HD2 ARG A 71 3.012 6.306 -6.362 1.00 72.40 H new ATOM 0 HD3 ARG A 71 1.941 7.170 -5.277 1.00 72.40 H new ATOM 0 HE ARG A 71 1.719 8.836 -6.870 1.00 33.00 H new ATOM 0 HH11 ARG A 71 4.693 7.021 -7.472 1.00 43.10 H new ATOM 0 HH12 ARG A 71 5.042 7.877 -8.977 1.00 43.10 H new ATOM 0 HH21 ARG A 71 2.176 9.922 -8.799 1.00 51.30 H new ATOM 0 HH22 ARG A 71 3.625 9.512 -9.724 1.00 51.30 H new ATOM 995 N ALA A 72 4.444 6.682 -0.502 1.00 55.00 N ATOM 996 CA ALA A 72 4.111 6.901 0.899 1.00 74.40 C ATOM 997 C ALA A 72 5.264 7.573 1.639 1.00 60.50 C ATOM 998 O ALA A 72 5.058 8.517 2.402 1.00 20.00 O ATOM 999 CB ALA A 72 3.749 5.584 1.568 1.00 35.50 C ATOM 0 H ALA A 72 4.420 5.705 -0.793 1.00 55.00 H new ATOM 0 HA ALA A 72 3.249 7.566 0.942 1.00 74.40 H new ATOM 0 HB1 ALA A 72 3.503 5.763 2.615 1.00 35.50 H new ATOM 0 HB2 ALA A 72 2.889 5.144 1.063 1.00 35.50 H new ATOM 0 HB3 ALA A 72 4.595 4.900 1.507 1.00 35.50 H new ATOM 1005 N GLU A 73 6.476 7.080 1.407 1.00 22.10 N ATOM 1006 CA GLU A 73 7.661 7.633 2.052 1.00 32.20 C ATOM 1007 C GLU A 73 8.084 8.939 1.386 1.00 13.20 C ATOM 1008 O GLU A 73 8.618 9.836 2.039 1.00 21.10 O ATOM 1009 CB GLU A 73 8.812 6.626 2.000 1.00 30.00 C ATOM 1010 CG GLU A 73 9.206 6.225 0.588 1.00 53.20 C ATOM 1011 CD GLU A 73 10.529 5.486 0.541 1.00 10.30 C ATOM 1012 OE1 GLU A 73 11.584 6.151 0.606 1.00 61.10 O ATOM 1013 OE2 GLU A 73 10.510 4.241 0.438 1.00 65.10 O ATOM 0 H GLU A 73 6.663 6.299 0.778 1.00 22.10 H new ATOM 0 HA GLU A 73 7.414 7.840 3.093 1.00 32.20 H new ATOM 0 HB2 GLU A 73 9.680 7.052 2.503 1.00 30.00 H new ATOM 0 HB3 GLU A 73 8.528 5.733 2.556 1.00 30.00 H new ATOM 0 HG2 GLU A 73 8.426 5.594 0.162 1.00 53.20 H new ATOM 0 HG3 GLU A 73 9.270 7.117 -0.035 1.00 53.20 H new ATOM 1020 N LYS A 74 7.840 9.039 0.083 1.00 12.40 N ATOM 1021 CA LYS A 74 8.195 10.236 -0.671 1.00 61.20 C ATOM 1022 C LYS A 74 7.382 11.437 -0.199 1.00 33.40 C ATOM 1023 O LYS A 74 7.930 12.512 0.048 1.00 14.30 O ATOM 1024 CB LYS A 74 7.970 10.007 -2.166 1.00 62.40 C ATOM 1025 CG LYS A 74 8.979 10.724 -3.049 1.00 61.10 C ATOM 1026 CD LYS A 74 8.465 12.085 -3.491 1.00 63.30 C ATOM 1027 CE LYS A 74 9.605 13.065 -3.707 1.00 53.30 C ATOM 1028 NZ LYS A 74 9.982 13.168 -5.144 1.00 64.40 N ATOM 0 H LYS A 74 7.398 8.306 -0.472 1.00 12.40 H new ATOM 0 HA LYS A 74 9.251 10.445 -0.498 1.00 61.20 H new ATOM 0 HB2 LYS A 74 8.014 8.938 -2.372 1.00 62.40 H new ATOM 0 HB3 LYS A 74 6.967 10.341 -2.430 1.00 62.40 H new ATOM 0 HG2 LYS A 74 9.916 10.847 -2.506 1.00 61.10 H new ATOM 0 HG3 LYS A 74 9.196 10.113 -3.926 1.00 61.10 H new ATOM 0 HD2 LYS A 74 7.895 11.978 -4.414 1.00 63.30 H new ATOM 0 HD3 LYS A 74 7.782 12.479 -2.739 1.00 63.30 H new ATOM 0 HE2 LYS A 74 9.314 14.048 -3.336 1.00 53.30 H new ATOM 0 HE3 LYS A 74 10.471 12.749 -3.126 1.00 53.30 H new ATOM 0 HZ1 LYS A 74 10.763 13.846 -5.250 1.00 64.40 H new ATOM 0 HZ2 LYS A 74 10.284 12.235 -5.491 1.00 64.40 H new ATOM 0 HZ3 LYS A 74 9.163 13.494 -5.695 1.00 64.40 H new ATOM 1042 N LEU A 75 6.072 11.248 -0.078 1.00 22.40 N ATOM 1043 CA LEU A 75 5.183 12.316 0.363 1.00 55.30 C ATOM 1044 C LEU A 75 5.470 12.700 1.810 1.00 71.30 C ATOM 1045 O LEU A 75 5.406 13.874 2.176 1.00 12.30 O ATOM 1046 CB LEU A 75 3.722 11.885 0.216 1.00 34.30 C ATOM 1047 CG LEU A 75 3.294 11.519 -1.206 1.00 62.40 C ATOM 1048 CD1 LEU A 75 1.968 10.774 -1.188 1.00 43.20 C ATOM 1049 CD2 LEU A 75 3.196 12.767 -2.069 1.00 73.40 C ATOM 0 H LEU A 75 5.603 10.365 -0.279 1.00 22.40 H new ATOM 0 HA LEU A 75 5.362 13.188 -0.267 1.00 55.30 H new ATOM 0 HB2 LEU A 75 3.546 11.027 0.864 1.00 34.30 H new ATOM 0 HB3 LEU A 75 3.083 12.692 0.575 1.00 34.30 H new ATOM 0 HG LEU A 75 4.050 10.862 -1.637 1.00 62.40 H new ATOM 0 HD11 LEU A 75 1.679 10.521 -2.208 1.00 43.20 H new ATOM 0 HD12 LEU A 75 2.072 9.860 -0.603 1.00 43.20 H new ATOM 0 HD13 LEU A 75 1.202 11.406 -0.739 1.00 43.20 H new ATOM 0 HD21 LEU A 75 2.890 12.489 -3.078 1.00 73.40 H new ATOM 0 HD22 LEU A 75 2.460 13.448 -1.642 1.00 73.40 H new ATOM 0 HD23 LEU A 75 4.167 13.260 -2.107 1.00 73.40 H new ATOM 1061 N LYS A 76 5.788 11.704 2.630 1.00 40.10 N ATOM 1062 CA LYS A 76 6.086 11.937 4.038 1.00 2.55 C ATOM 1063 C LYS A 76 7.277 12.878 4.194 1.00 32.10 C ATOM 1064 O LYS A 76 7.327 13.684 5.122 1.00 14.20 O ATOM 1065 CB LYS A 76 6.371 10.613 4.748 1.00 31.20 C ATOM 1066 CG LYS A 76 6.398 10.727 6.263 1.00 3.44 C ATOM 1067 CD LYS A 76 5.030 10.454 6.867 1.00 11.30 C ATOM 1068 CE LYS A 76 4.265 11.742 7.121 1.00 44.10 C ATOM 1069 NZ LYS A 76 2.792 11.535 7.063 1.00 24.30 N ATOM 0 H LYS A 76 5.846 10.727 2.343 1.00 40.10 H new ATOM 0 HA LYS A 76 5.214 12.405 4.495 1.00 2.55 H new ATOM 0 HB2 LYS A 76 5.612 9.886 4.460 1.00 31.20 H new ATOM 0 HB3 LYS A 76 7.330 10.225 4.404 1.00 31.20 H new ATOM 0 HG2 LYS A 76 7.123 10.022 6.669 1.00 3.44 H new ATOM 0 HG3 LYS A 76 6.730 11.725 6.548 1.00 3.44 H new ATOM 0 HD2 LYS A 76 4.456 9.815 6.196 1.00 11.30 H new ATOM 0 HD3 LYS A 76 5.147 9.909 7.803 1.00 11.30 H new ATOM 0 HE2 LYS A 76 4.537 12.139 8.099 1.00 44.10 H new ATOM 0 HE3 LYS A 76 4.556 12.488 6.382 1.00 44.10 H new ATOM 0 HZ1 LYS A 76 2.387 12.131 6.314 1.00 24.30 H new ATOM 0 HZ2 LYS A 76 2.590 10.536 6.858 1.00 24.30 H new ATOM 0 HZ3 LYS A 76 2.369 11.793 7.977 1.00 24.30 H new ATOM 1083 N GLU A 77 8.233 12.769 3.277 1.00 2.24 N ATOM 1084 CA GLU A 77 9.423 13.611 3.310 1.00 43.50 C ATOM 1085 C GLU A 77 9.095 15.024 2.844 1.00 13.10 C ATOM 1086 O GLU A 77 9.331 15.997 3.559 1.00 31.30 O ATOM 1087 CB GLU A 77 10.523 13.012 2.432 1.00 72.10 C ATOM 1088 CG GLU A 77 11.923 13.214 2.987 1.00 33.50 C ATOM 1089 CD GLU A 77 12.951 12.329 2.312 1.00 55.20 C ATOM 1090 OE1 GLU A 77 13.097 11.161 2.731 1.00 20.10 O ATOM 1091 OE2 GLU A 77 13.611 12.803 1.363 1.00 73.40 O ATOM 0 H GLU A 77 8.207 12.106 2.502 1.00 2.24 H new ATOM 0 HA GLU A 77 9.779 13.658 4.339 1.00 43.50 H new ATOM 0 HB2 GLU A 77 10.339 11.944 2.312 1.00 72.10 H new ATOM 0 HB3 GLU A 77 10.467 13.458 1.439 1.00 72.10 H new ATOM 0 HG2 GLU A 77 12.211 14.258 2.864 1.00 33.50 H new ATOM 0 HG3 GLU A 77 11.919 13.008 4.057 1.00 33.50 H new ATOM 1098 N TYR A 78 8.546 15.127 1.638 1.00 22.20 N ATOM 1099 CA TYR A 78 8.179 16.418 1.070 1.00 43.40 C ATOM 1100 C TYR A 78 7.150 17.121 1.955 1.00 11.20 C ATOM 1101 O TYR A 78 7.124 18.348 2.037 1.00 1.44 O ATOM 1102 CB TYR A 78 7.635 16.225 -0.354 1.00 14.10 C ATOM 1103 CG TYR A 78 6.567 17.220 -0.757 1.00 32.40 C ATOM 1104 CD1 TYR A 78 5.248 17.048 -0.358 1.00 74.10 C ATOM 1105 CD2 TYR A 78 6.878 18.328 -1.535 1.00 12.50 C ATOM 1106 CE1 TYR A 78 4.268 17.952 -0.723 1.00 73.30 C ATOM 1107 CE2 TYR A 78 5.904 19.237 -1.903 1.00 42.40 C ATOM 1108 CZ TYR A 78 4.601 19.045 -1.494 1.00 2.31 C ATOM 1109 OH TYR A 78 3.629 19.947 -1.861 1.00 42.10 O ATOM 0 H TYR A 78 8.345 14.330 1.034 1.00 22.20 H new ATOM 0 HA TYR A 78 9.066 17.049 1.022 1.00 43.40 H new ATOM 0 HB2 TYR A 78 8.464 16.295 -1.059 1.00 14.10 H new ATOM 0 HB3 TYR A 78 7.227 15.218 -0.440 1.00 14.10 H new ATOM 0 HD1 TYR A 78 4.983 16.194 0.248 1.00 74.10 H new ATOM 0 HD2 TYR A 78 7.897 18.482 -1.857 1.00 12.50 H new ATOM 0 HE1 TYR A 78 3.247 17.803 -0.406 1.00 73.30 H new ATOM 0 HE2 TYR A 78 6.162 20.094 -2.508 1.00 42.40 H new ATOM 0 HH TYR A 78 4.031 20.659 -2.402 1.00 42.10 H new ATOM 1119 N LEU A 79 6.306 16.333 2.613 1.00 24.30 N ATOM 1120 CA LEU A 79 5.278 16.879 3.490 1.00 34.30 C ATOM 1121 C LEU A 79 5.885 17.376 4.799 1.00 10.10 C ATOM 1122 O LEU A 79 5.513 18.432 5.307 1.00 2.21 O ATOM 1123 CB LEU A 79 4.210 15.823 3.779 1.00 4.01 C ATOM 1124 CG LEU A 79 3.255 15.535 2.619 1.00 20.10 C ATOM 1125 CD1 LEU A 79 2.538 14.211 2.836 1.00 3.45 C ATOM 1126 CD2 LEU A 79 2.251 16.667 2.464 1.00 33.30 C ATOM 0 H LEU A 79 6.314 15.315 2.555 1.00 24.30 H new ATOM 0 HA LEU A 79 4.815 17.725 2.981 1.00 34.30 H new ATOM 0 HB2 LEU A 79 4.706 14.894 4.061 1.00 4.01 H new ATOM 0 HB3 LEU A 79 3.625 16.146 4.640 1.00 4.01 H new ATOM 0 HG LEU A 79 3.838 15.464 1.701 1.00 20.10 H new ATOM 0 HD11 LEU A 79 1.863 14.022 2.002 1.00 3.45 H new ATOM 0 HD12 LEU A 79 3.271 13.407 2.899 1.00 3.45 H new ATOM 0 HD13 LEU A 79 1.966 14.255 3.763 1.00 3.45 H new ATOM 0 HD21 LEU A 79 1.579 16.446 1.635 1.00 33.30 H new ATOM 0 HD22 LEU A 79 1.673 16.769 3.382 1.00 33.30 H new ATOM 0 HD23 LEU A 79 2.781 17.598 2.264 1.00 33.30 H new ATOM 1138 N LYS A 80 6.825 16.605 5.338 1.00 33.10 N ATOM 1139 CA LYS A 80 7.484 16.966 6.587 1.00 61.10 C ATOM 1140 C LYS A 80 8.346 18.211 6.408 1.00 1.33 C ATOM 1141 O LYS A 80 8.202 19.189 7.141 1.00 64.50 O ATOM 1142 CB LYS A 80 8.345 15.804 7.088 1.00 12.10 C ATOM 1143 CG LYS A 80 7.597 14.838 7.991 1.00 11.10 C ATOM 1144 CD LYS A 80 8.457 13.642 8.363 1.00 32.20 C ATOM 1145 CE LYS A 80 8.226 13.214 9.803 1.00 15.10 C ATOM 1146 NZ LYS A 80 9.467 12.685 10.432 1.00 43.30 N ATOM 0 H LYS A 80 7.146 15.728 4.929 1.00 33.10 H new ATOM 0 HA LYS A 80 6.712 17.183 7.326 1.00 61.10 H new ATOM 0 HB2 LYS A 80 8.737 15.257 6.230 1.00 12.10 H new ATOM 0 HB3 LYS A 80 9.202 16.205 7.629 1.00 12.10 H new ATOM 0 HG2 LYS A 80 7.281 15.356 8.897 1.00 11.10 H new ATOM 0 HG3 LYS A 80 6.693 14.495 7.488 1.00 11.10 H new ATOM 0 HD2 LYS A 80 8.233 12.810 7.695 1.00 32.20 H new ATOM 0 HD3 LYS A 80 9.509 13.891 8.221 1.00 32.20 H new ATOM 0 HE2 LYS A 80 7.861 14.064 10.380 1.00 15.10 H new ATOM 0 HE3 LYS A 80 7.449 12.450 9.834 1.00 15.10 H new ATOM 0 HZ1 LYS A 80 9.266 12.404 11.413 1.00 43.30 H new ATOM 0 HZ2 LYS A 80 9.802 11.858 9.897 1.00 43.30 H new ATOM 0 HZ3 LYS A 80 10.201 13.422 10.426 1.00 43.30 H new ATOM 1160 N ASN A 81 9.242 18.167 5.427 1.00 24.00 N ATOM 1161 CA ASN A 81 10.127 19.293 5.150 1.00 35.30 C ATOM 1162 C ASN A 81 9.331 20.520 4.719 1.00 13.40 C ATOM 1163 O ASN A 81 9.297 21.530 5.422 1.00 53.00 O ATOM 1164 CB ASN A 81 11.138 18.920 4.064 1.00 5.12 C ATOM 1165 CG ASN A 81 12.250 18.034 4.589 1.00 15.30 C ATOM 1166 OD1 ASN A 81 12.893 18.353 5.590 1.00 64.40 O ATOM 1167 ND2 ASN A 81 12.485 16.915 3.914 1.00 20.20 N ATOM 0 H ASN A 81 9.374 17.365 4.811 1.00 24.00 H new ATOM 0 HA ASN A 81 10.662 19.534 6.068 1.00 35.30 H new ATOM 0 HB2 ASN A 81 10.622 18.408 3.252 1.00 5.12 H new ATOM 0 HB3 ASN A 81 11.569 19.829 3.645 1.00 5.12 H new ATOM 0 HD21 ASN A 81 13.223 16.280 4.220 1.00 20.20 H new ATOM 0 HD22 ASN A 81 11.928 16.690 3.090 1.00 20.20 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.769 -10.062 -1.666 1.00 0.32 N ATOM 1176 CA ASP B 116 7.661 -10.083 -0.715 1.00 41.40 C ATOM 1177 C ASP B 116 8.114 -9.598 0.657 1.00 41.10 C ATOM 1178 O ASP B 116 7.329 -9.012 1.406 1.00 61.30 O ATOM 1179 CB ASP B 116 7.095 -11.504 -0.603 1.00 50.30 C ATOM 1180 CG ASP B 116 8.124 -12.504 -0.101 1.00 51.20 C ATOM 1181 OD1 ASP B 116 8.419 -12.493 1.112 1.00 14.10 O ATOM 1182 OD2 ASP B 116 8.634 -13.294 -0.922 1.00 34.50 O ATOM 0 HA ASP B 116 6.884 -9.411 -1.079 1.00 41.40 H new ATOM 0 HB2 ASP B 116 6.239 -11.498 0.072 1.00 50.30 H new ATOM 0 HB3 ASP B 116 6.729 -11.823 -1.579 1.00 50.30 H new ATOM 1187 N GLU B 117 9.378 -9.832 0.980 1.00 1.11 N ATOM 1188 CA GLU B 117 9.936 -9.422 2.262 1.00 2.44 C ATOM 1189 C GLU B 117 10.096 -7.903 2.314 1.00 53.10 C ATOM 1190 O GLU B 117 9.912 -7.288 3.364 1.00 70.20 O ATOM 1191 CB GLU B 117 11.285 -10.098 2.503 1.00 23.40 C ATOM 1192 CG GLU B 117 11.534 -10.444 3.959 1.00 23.30 C ATOM 1193 CD GLU B 117 12.193 -11.808 4.127 1.00 11.30 C ATOM 1194 OE1 GLU B 117 11.955 -12.688 3.275 1.00 20.20 O ATOM 1195 OE2 GLU B 117 12.943 -11.986 5.109 1.00 2.24 O ATOM 0 H GLU B 117 10.041 -10.307 0.367 1.00 1.11 H new ATOM 0 HA GLU B 117 9.246 -9.730 3.047 1.00 2.44 H new ATOM 0 HB2 GLU B 117 11.338 -11.009 1.907 1.00 23.40 H new ATOM 0 HB3 GLU B 117 12.080 -9.440 2.152 1.00 23.40 H new ATOM 0 HG2 GLU B 117 12.168 -9.679 4.408 1.00 23.30 H new ATOM 0 HG3 GLU B 117 10.588 -10.432 4.500 1.00 23.30 H new ATOM 1202 N GLU B 118 10.441 -7.306 1.177 1.00 62.40 N ATOM 1203 CA GLU B 118 10.631 -5.868 1.094 1.00 61.10 C ATOM 1204 C GLU B 118 9.298 -5.133 1.240 1.00 24.40 C ATOM 1205 O GLU B 118 9.206 -4.138 1.950 1.00 30.20 O ATOM 1206 CB GLU B 118 11.289 -5.494 -0.236 1.00 11.40 C ATOM 1207 CG GLU B 118 12.724 -5.966 -0.359 1.00 32.40 C ATOM 1208 CD GLU B 118 13.722 -4.940 0.142 1.00 52.20 C ATOM 1209 OE1 GLU B 118 13.983 -3.965 -0.584 1.00 15.50 O ATOM 1210 OE2 GLU B 118 14.248 -5.122 1.260 1.00 53.40 O ATOM 0 H GLU B 118 10.594 -7.802 0.299 1.00 62.40 H new ATOM 0 HA GLU B 118 11.285 -5.566 1.912 1.00 61.10 H new ATOM 0 HB2 GLU B 118 10.705 -5.919 -1.052 1.00 11.40 H new ATOM 0 HB3 GLU B 118 11.261 -4.411 -0.353 1.00 11.40 H new ATOM 0 HG2 GLU B 118 12.847 -6.892 0.203 1.00 32.40 H new ATOM 0 HG3 GLU B 118 12.938 -6.196 -1.403 1.00 32.40 H new ATOM 1217 N ILE B 119 8.274 -5.644 0.563 1.00 64.30 N ATOM 1218 CA ILE B 119 6.950 -5.045 0.619 1.00 31.10 C ATOM 1219 C ILE B 119 6.349 -5.167 2.015 1.00 43.50 C ATOM 1220 O ILE B 119 5.828 -4.196 2.565 1.00 11.10 O ATOM 1221 CB ILE B 119 5.993 -5.694 -0.401 1.00 72.50 C ATOM 1222 CG1 ILE B 119 6.627 -5.703 -1.793 1.00 50.30 C ATOM 1223 CG2 ILE B 119 4.661 -4.959 -0.424 1.00 72.20 C ATOM 1224 CD1 ILE B 119 5.737 -6.307 -2.859 1.00 11.20 C ATOM 0 H ILE B 119 8.338 -6.471 -0.030 1.00 64.30 H new ATOM 0 HA ILE B 119 7.071 -3.991 0.370 1.00 31.10 H new ATOM 0 HB ILE B 119 5.810 -6.725 -0.098 1.00 72.50 H new ATOM 0 HG12 ILE B 119 6.877 -4.681 -2.076 1.00 50.30 H new ATOM 0 HG13 ILE B 119 7.563 -6.261 -1.754 1.00 50.30 H new ATOM 0 HG21 ILE B 119 3.998 -5.430 -1.149 1.00 72.20 H new ATOM 0 HG22 ILE B 119 4.205 -5.001 0.565 1.00 72.20 H new ATOM 0 HG23 ILE B 119 4.824 -3.918 -0.704 1.00 72.20 H new ATOM 0 HD11 ILE B 119 6.251 -6.280 -3.820 1.00 11.20 H new ATOM 0 HD12 ILE B 119 5.508 -7.340 -2.599 1.00 11.20 H new ATOM 0 HD13 ILE B 119 4.811 -5.736 -2.927 1.00 11.20 H new ATOM 1236 N GLU B 120 6.423 -6.359 2.584 1.00 65.10 N ATOM 1237 CA GLU B 120 5.887 -6.607 3.917 1.00 32.20 C ATOM 1238 C GLU B 120 6.685 -5.854 4.974 1.00 3.00 C ATOM 1239 O GLU B 120 6.127 -5.376 5.960 1.00 55.10 O ATOM 1240 CB GLU B 120 5.908 -8.109 4.225 1.00 44.20 C ATOM 1241 CG GLU B 120 4.939 -8.512 5.325 1.00 60.30 C ATOM 1242 CD GLU B 120 5.518 -9.569 6.248 1.00 3.24 C ATOM 1243 OE1 GLU B 120 6.322 -9.212 7.135 1.00 71.00 O ATOM 1244 OE2 GLU B 120 5.172 -10.760 6.085 1.00 51.30 O ATOM 0 H GLU B 120 6.850 -7.174 2.144 1.00 65.10 H new ATOM 0 HA GLU B 120 4.858 -6.249 3.939 1.00 32.20 H new ATOM 0 HB2 GLU B 120 5.667 -8.662 3.317 1.00 44.20 H new ATOM 0 HB3 GLU B 120 6.918 -8.399 4.516 1.00 44.20 H new ATOM 0 HG2 GLU B 120 4.670 -7.632 5.909 1.00 60.30 H new ATOM 0 HG3 GLU B 120 4.020 -8.890 4.876 1.00 60.30 H new ATOM 1251 N ARG B 121 7.991 -5.747 4.763 1.00 43.20 N ATOM 1252 CA ARG B 121 8.866 -5.052 5.698 1.00 61.20 C ATOM 1253 C ARG B 121 8.640 -3.545 5.628 1.00 4.15 C ATOM 1254 O ARG B 121 8.745 -2.844 6.636 1.00 63.50 O ATOM 1255 CB ARG B 121 10.331 -5.372 5.400 1.00 70.30 C ATOM 1256 CG ARG B 121 10.769 -6.728 5.910 1.00 54.50 C ATOM 1257 CD ARG B 121 12.099 -7.151 5.303 1.00 22.10 C ATOM 1258 NE ARG B 121 13.182 -6.246 5.680 1.00 13.40 N ATOM 1259 CZ ARG B 121 14.470 -6.504 5.467 1.00 41.20 C ATOM 1260 NH1 ARG B 121 14.841 -7.642 4.880 1.00 23.00 N ATOM 1261 NH2 ARG B 121 15.395 -5.632 5.841 1.00 71.20 N ATOM 0 H ARG B 121 8.469 -6.134 3.949 1.00 43.20 H new ATOM 0 HA ARG B 121 8.627 -5.396 6.704 1.00 61.20 H new ATOM 0 HB2 ARG B 121 10.492 -5.328 4.323 1.00 70.30 H new ATOM 0 HB3 ARG B 121 10.961 -4.603 5.848 1.00 70.30 H new ATOM 0 HG2 ARG B 121 10.857 -6.698 6.996 1.00 54.50 H new ATOM 0 HG3 ARG B 121 10.007 -7.470 5.672 1.00 54.50 H new ATOM 0 HD2 ARG B 121 12.341 -8.163 5.629 1.00 22.10 H new ATOM 0 HD3 ARG B 121 12.010 -7.178 4.217 1.00 22.10 H new ATOM 0 HE ARG B 121 12.937 -5.365 6.133 1.00 13.40 H new ATOM 0 HH11 ARG B 121 14.136 -8.320 4.592 1.00 23.00 H new ATOM 0 HH12 ARG B 121 15.830 -7.834 4.719 1.00 23.00 H new ATOM 0 HH21 ARG B 121 15.121 -4.760 6.294 1.00 71.20 H new ATOM 0 HH22 ARG B 121 16.381 -5.833 5.676 1.00 71.20 H new ATOM 1275 N GLN B 122 8.329 -3.052 4.434 1.00 10.10 N ATOM 1276 CA GLN B 122 8.087 -1.628 4.235 1.00 62.40 C ATOM 1277 C GLN B 122 6.921 -1.148 5.092 1.00 11.10 C ATOM 1278 O GLN B 122 7.051 -0.194 5.858 1.00 1.24 O ATOM 1279 CB GLN B 122 7.805 -1.339 2.758 1.00 52.30 C ATOM 1280 CG GLN B 122 8.523 -0.107 2.230 1.00 1.50 C ATOM 1281 CD GLN B 122 8.269 1.125 3.078 1.00 44.20 C ATOM 1282 OE1 GLN B 122 8.477 1.112 4.291 1.00 54.10 O ATOM 1283 NE2 GLN B 122 7.815 2.198 2.440 1.00 1.53 N ATOM 0 H GLN B 122 8.239 -3.617 3.590 1.00 10.10 H new ATOM 0 HA GLN B 122 8.983 -1.087 4.539 1.00 62.40 H new ATOM 0 HB2 GLN B 122 8.101 -2.204 2.164 1.00 52.30 H new ATOM 0 HB3 GLN B 122 6.731 -1.210 2.620 1.00 52.30 H new ATOM 0 HG2 GLN B 122 9.595 -0.303 2.193 1.00 1.50 H new ATOM 0 HG3 GLN B 122 8.199 0.087 1.207 1.00 1.50 H new ATOM 0 HE21 GLN B 122 7.657 2.164 1.433 1.00 1.53 H new ATOM 0 HE22 GLN B 122 7.625 3.056 2.957 1.00 1.53 H new ATOM 1292 N LEU B 123 5.780 -1.817 4.956 1.00 45.10 N ATOM 1293 CA LEU B 123 4.589 -1.458 5.718 1.00 24.30 C ATOM 1294 C LEU B 123 4.825 -1.642 7.215 1.00 51.40 C ATOM 1295 O LEU B 123 4.259 -0.919 8.035 1.00 64.30 O ATOM 1296 CB LEU B 123 3.397 -2.304 5.268 1.00 13.40 C ATOM 1297 CG LEU B 123 2.079 -1.540 5.126 1.00 31.00 C ATOM 1298 CD1 LEU B 123 1.571 -1.095 6.489 1.00 21.10 C ATOM 1299 CD2 LEU B 123 2.254 -0.343 4.203 1.00 24.50 C ATOM 0 H LEU B 123 5.655 -2.610 4.326 1.00 45.10 H new ATOM 0 HA LEU B 123 4.370 -0.407 5.531 1.00 24.30 H new ATOM 0 HB2 LEU B 123 3.638 -2.764 4.310 1.00 13.40 H new ATOM 0 HB3 LEU B 123 3.255 -3.114 5.983 1.00 13.40 H new ATOM 0 HG LEU B 123 1.339 -2.208 4.686 1.00 31.00 H new ATOM 0 HD11 LEU B 123 0.633 -0.553 6.369 1.00 21.10 H new ATOM 0 HD12 LEU B 123 1.407 -1.969 7.119 1.00 21.10 H new ATOM 0 HD13 LEU B 123 2.309 -0.443 6.957 1.00 21.10 H new ATOM 0 HD21 LEU B 123 1.307 0.189 4.113 1.00 24.50 H new ATOM 0 HD22 LEU B 123 3.009 0.327 4.615 1.00 24.50 H new ATOM 0 HD23 LEU B 123 2.572 -0.686 3.218 1.00 24.50 H new ATOM 1311 N LYS B 124 5.663 -2.613 7.562 1.00 22.20 N ATOM 1312 CA LYS B 124 5.973 -2.891 8.960 1.00 41.10 C ATOM 1313 C LYS B 124 6.741 -1.733 9.587 1.00 41.20 C ATOM 1314 O LYS B 124 6.576 -1.435 10.770 1.00 10.20 O ATOM 1315 CB LYS B 124 6.788 -4.181 9.076 1.00 32.20 C ATOM 1316 CG LYS B 124 7.123 -4.562 10.509 1.00 54.20 C ATOM 1317 CD LYS B 124 7.131 -6.065 10.696 1.00 24.10 C ATOM 1318 CE LYS B 124 7.611 -6.447 12.086 1.00 44.10 C ATOM 1319 NZ LYS B 124 8.390 -7.726 12.072 1.00 63.00 N ATOM 0 H LYS B 124 6.139 -3.220 6.895 1.00 22.20 H new ATOM 0 HA LYS B 124 5.033 -3.013 9.498 1.00 41.10 H new ATOM 0 HB2 LYS B 124 6.231 -4.996 8.613 1.00 32.20 H new ATOM 0 HB3 LYS B 124 7.714 -4.068 8.513 1.00 32.20 H new ATOM 0 HG2 LYS B 124 8.099 -4.156 10.776 1.00 54.20 H new ATOM 0 HG3 LYS B 124 6.395 -4.114 11.185 1.00 54.20 H new ATOM 0 HD2 LYS B 124 6.127 -6.459 10.535 1.00 24.10 H new ATOM 0 HD3 LYS B 124 7.777 -6.523 9.947 1.00 24.10 H new ATOM 0 HE2 LYS B 124 8.232 -5.647 12.489 1.00 44.10 H new ATOM 0 HE3 LYS B 124 6.754 -6.551 12.751 1.00 44.10 H new ATOM 0 HZ1 LYS B 124 8.701 -7.954 13.038 1.00 63.00 H new ATOM 0 HZ2 LYS B 124 7.789 -8.494 11.711 1.00 63.00 H new ATOM 0 HZ3 LYS B 124 9.222 -7.619 11.457 1.00 63.00 H new ATOM 1333 N ALA B 125 7.580 -1.084 8.787 1.00 45.30 N ATOM 1334 CA ALA B 125 8.374 0.043 9.264 1.00 64.30 C ATOM 1335 C ALA B 125 7.551 1.327 9.280 1.00 43.10 C ATOM 1336 O ALA B 125 7.658 2.133 10.203 1.00 34.20 O ATOM 1337 CB ALA B 125 9.612 0.218 8.399 1.00 62.40 C ATOM 0 H ALA B 125 7.728 -1.319 7.805 1.00 45.30 H new ATOM 0 HA ALA B 125 8.685 -0.170 10.287 1.00 64.30 H new ATOM 0 HB1 ALA B 125 10.196 1.062 8.766 1.00 62.40 H new ATOM 0 HB2 ALA B 125 10.217 -0.688 8.442 1.00 62.40 H new ATOM 0 HB3 ALA B 125 9.312 0.405 7.368 1.00 62.40 H new ATOM 1343 N LEU B 126 6.728 1.510 8.251 1.00 1.21 N ATOM 1344 CA LEU B 126 5.888 2.696 8.148 1.00 54.20 C ATOM 1345 C LEU B 126 4.841 2.720 9.257 1.00 52.10 C ATOM 1346 O LEU B 126 4.576 3.765 9.851 1.00 3.11 O ATOM 1347 CB LEU B 126 5.200 2.740 6.782 1.00 11.10 C ATOM 1348 CG LEU B 126 6.033 3.359 5.657 1.00 24.30 C ATOM 1349 CD1 LEU B 126 5.534 2.884 4.302 1.00 60.30 C ATOM 1350 CD2 LEU B 126 5.994 4.878 5.740 1.00 10.40 C ATOM 0 H LEU B 126 6.626 0.852 7.478 1.00 1.21 H new ATOM 0 HA LEU B 126 6.526 3.573 8.256 1.00 54.20 H new ATOM 0 HB2 LEU B 126 4.929 1.724 6.496 1.00 11.10 H new ATOM 0 HB3 LEU B 126 4.271 3.303 6.878 1.00 11.10 H new ATOM 0 HG LEU B 126 7.067 3.035 5.774 1.00 24.30 H new ATOM 0 HD11 LEU B 126 6.138 3.334 3.514 1.00 60.30 H new ATOM 0 HD12 LEU B 126 5.614 1.798 4.245 1.00 60.30 H new ATOM 0 HD13 LEU B 126 4.492 3.179 4.174 1.00 60.30 H new ATOM 0 HD21 LEU B 126 6.591 5.302 4.933 1.00 10.40 H new ATOM 0 HD22 LEU B 126 4.964 5.221 5.648 1.00 10.40 H new ATOM 0 HD23 LEU B 126 6.399 5.200 6.699 1.00 10.40 H new ATOM 1362 N GLY B 127 4.250 1.562 9.532 1.00 15.40 N ATOM 1363 CA GLY B 127 3.240 1.472 10.570 1.00 31.10 C ATOM 1364 C GLY B 127 3.412 0.244 11.442 1.00 32.20 C ATOM 1365 O GLY B 127 3.402 -0.884 10.948 1.00 62.30 O ATOM 0 H GLY B 127 4.453 0.684 9.054 1.00 15.40 H new ATOM 0 HA2 GLY B 127 3.283 2.365 11.193 1.00 31.10 H new ATOM 0 HA3 GLY B 127 2.252 1.452 10.110 1.00 31.10 H new ATOM 1369 N VAL B 128 3.568 0.463 12.744 1.00 44.30 N ATOM 1370 CA VAL B 128 3.743 -0.635 13.687 1.00 51.40 C ATOM 1371 C VAL B 128 2.920 -0.408 14.951 1.00 34.10 C ATOM 1372 O VAL B 128 3.166 0.535 15.704 1.00 72.20 O ATOM 1373 CB VAL B 128 5.225 -0.814 14.072 1.00 64.40 C ATOM 1374 CG1 VAL B 128 5.760 0.437 14.752 1.00 64.30 C ATOM 1375 CG2 VAL B 128 5.404 -2.033 14.964 1.00 51.10 C ATOM 0 H VAL B 128 3.577 1.390 13.169 1.00 44.30 H new ATOM 0 HA VAL B 128 3.395 -1.540 13.190 1.00 51.40 H new ATOM 0 HB VAL B 128 5.798 -0.974 13.159 1.00 64.40 H new ATOM 0 HG11 VAL B 128 6.807 0.289 15.015 1.00 64.30 H new ATOM 0 HG12 VAL B 128 5.673 1.285 14.073 1.00 64.30 H new ATOM 0 HG13 VAL B 128 5.183 0.635 15.656 1.00 64.30 H new ATOM 0 HG21 VAL B 128 6.457 -2.142 15.224 1.00 51.10 H new ATOM 0 HG22 VAL B 128 4.816 -1.908 15.873 1.00 51.10 H new ATOM 0 HG23 VAL B 128 5.067 -2.924 14.434 1.00 51.10 H new ATOM 1385 N ASP B 129 1.940 -1.277 15.177 1.00 3.10 N ATOM 1386 CA ASP B 129 1.081 -1.172 16.351 1.00 0.44 C ATOM 1387 C ASP B 129 0.875 -2.537 17.000 1.00 25.40 C ATOM 1388 O ASP B 129 1.065 -3.556 16.303 1.00 12.10 O ATOM 1389 CB ASP B 129 -0.271 -0.568 15.966 1.00 11.30 C ATOM 1390 CG ASP B 129 -0.823 0.348 17.040 1.00 32.20 C ATOM 1391 OD1 ASP B 129 -0.608 0.058 18.236 1.00 34.10 O ATOM 1392 OD2 ASP B 129 -1.468 1.358 16.686 1.00 53.40 O ATOM 1393 OXT ASP B 129 0.526 -2.575 18.199 1.00 36.90 O ATOM 0 H ASP B 129 1.721 -2.061 14.563 1.00 3.10 H new ATOM 0 HA ASP B 129 1.572 -0.518 17.072 1.00 0.44 H new ATOM 0 HB2 ASP B 129 -0.164 -0.010 15.036 1.00 11.30 H new ATOM 0 HB3 ASP B 129 -0.983 -1.371 15.776 1.00 11.30 H new TER 1398 ASP B 129