USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 706 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 97 THR OG1 : rot -74:sc= 0.596 USER MOD Set 1.2: A 99 LYS NZ :NH3+ -112:sc= -0.178 (180deg=-3.05!) USER MOD Set 2.1: A 90 HIS : no HE2:sc= -0.863 X(o=-0.86,f=-0.66) USER MOD Set 2.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 67 SER OG : rot 64:sc= -0.046 USER MOD Set 3.2: A 86 ASN :FLIP amide:sc= -3.43 F(o=-7.7!,f=-3.5) USER MOD Set 4.1: A 30 ASN :FLIP amide:sc=-0.00349 F(o=-1.6,f=-0.39) USER MOD Set 4.2: A 32 SER OG : rot 68:sc= -0.39 USER MOD Set 5.1: A 21 THR OG1 : rot -79:sc= 0.536 USER MOD Set 5.2: A 31 THR OG1 : rot 180:sc= 0.493 USER MOD Set 6.1: A 7 THR OG1 : rot -65:sc= 1.01 USER MOD Set 6.2: A 93 ASN : amide:sc= -2.52 K(o=-1.5,f=-7.3!) USER MOD Set 7.1: A 5 SER OG : rot 141:sc= 0.131 USER MOD Set 7.2: A 66 SER OG : rot 180:sc= 0.129 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.94 X(o=-1.9,f=-2.4!) USER MOD Single : A 9 TYR OH : rot 173:sc= 0.736 USER MOD Single : A 10 ASN : amide:sc= -1.03 K(o=-1,f=-3.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.4 F(o=-3.1,f=-1.4) USER MOD Single : A 16 SER OG : rot 104:sc= 0.882 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 5:sc= -0.136 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 26 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.11 F(o=-2.3!,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0762 F(o=-0.72,f=-0.076) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.107 X(o=0.11,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 61 THR OG1 : rot 154:sc= -1.95! USER MOD Single : A 62 GLN : amide:sc= -1.73 K(o=-1.7,f=-6.1!) USER MOD Single : A 74 LYS NZ :NH3+ -127:sc= -1.12 (180deg=-4.27!) USER MOD Single : A 75 THR OG1 : rot 140:sc= 0.492 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 51:sc= 1.1 USER MOD Single : A 83 THR OG1 : rot -40:sc= -1.36 USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0733) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.767 -1.672 -11.354 1.00 0.00 N ATOM 23 CA GLY A 2 -3.772 -0.831 -10.172 1.00 0.00 C ATOM 24 C GLY A 2 -5.001 0.049 -10.057 1.00 0.00 C ATOM 25 O GLY A 2 -6.135 -0.425 -10.070 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.704 -1.463 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.883 -0.200 -10.182 1.00 0.00 H new ATOM 29 N LYS A 3 -4.755 1.347 -10.001 1.00 0.00 N ATOM 30 CA LYS A 3 -5.827 2.334 -9.931 1.00 0.00 C ATOM 31 C LYS A 3 -7.001 1.870 -9.039 1.00 0.00 C ATOM 32 O LYS A 3 -8.165 2.051 -9.392 1.00 0.00 O ATOM 33 CB LYS A 3 -6.302 2.618 -11.376 1.00 0.00 C ATOM 34 CG LYS A 3 -5.517 3.794 -11.983 1.00 0.00 C ATOM 35 CD LYS A 3 -4.019 3.465 -12.009 1.00 0.00 C ATOM 36 CE LYS A 3 -3.277 4.486 -12.884 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.823 4.450 -12.564 1.00 0.00 N ATOM 0 H LYS A 3 -3.817 1.747 -10.003 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.447 3.244 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.167 1.728 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.368 2.847 -11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.871 3.996 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.689 4.698 -11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.616 3.480 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.865 2.459 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.434 4.259 -13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.674 5.486 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.320 5.141 -13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.682 4.686 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.450 3.497 -12.751 1.00 0.00 H new ATOM 51 N PHE A 4 -6.708 1.300 -7.870 1.00 0.00 N ATOM 52 CA PHE A 4 -7.791 0.874 -6.978 1.00 0.00 C ATOM 53 C PHE A 4 -8.573 2.100 -6.503 1.00 0.00 C ATOM 54 O PHE A 4 -9.798 2.064 -6.388 1.00 0.00 O ATOM 55 CB PHE A 4 -7.256 0.083 -5.762 1.00 0.00 C ATOM 56 CG PHE A 4 -6.598 1.012 -4.763 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.402 1.660 -5.110 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.174 1.225 -3.487 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.778 2.523 -4.197 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.543 2.088 -2.565 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.345 2.744 -2.922 1.00 0.00 C ATOM 0 H PHE A 4 -5.764 1.126 -7.525 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.448 0.209 -7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.075 -0.453 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.538 -0.666 -6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.961 1.494 -6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.095 0.728 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.859 3.021 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.976 2.246 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.864 3.412 -2.223 1.00 0.00 H new ATOM 71 N SER A 5 -7.844 3.181 -6.230 1.00 0.00 N ATOM 72 CA SER A 5 -8.452 4.425 -5.763 1.00 0.00 C ATOM 73 C SER A 5 -9.562 4.893 -6.697 1.00 0.00 C ATOM 74 O SER A 5 -10.462 5.622 -6.280 1.00 0.00 O ATOM 75 CB SER A 5 -7.391 5.516 -5.659 1.00 0.00 C ATOM 76 OG SER A 5 -7.996 6.715 -5.191 1.00 0.00 O ATOM 0 H SER A 5 -6.829 3.220 -6.325 1.00 0.00 H new ATOM 0 HA SER A 5 -8.887 4.231 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.598 5.205 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.928 5.684 -6.632 1.00 0.00 H new ATOM 0 HG SER A 5 -7.390 7.164 -4.565 1.00 0.00 H new ATOM 82 N GLN A 6 -9.502 4.478 -7.959 1.00 0.00 N ATOM 83 CA GLN A 6 -10.522 4.882 -8.921 1.00 0.00 C ATOM 84 C GLN A 6 -11.884 4.330 -8.520 1.00 0.00 C ATOM 85 O GLN A 6 -12.912 4.970 -8.747 1.00 0.00 O ATOM 86 CB GLN A 6 -10.158 4.390 -10.326 1.00 0.00 C ATOM 87 CG GLN A 6 -8.923 5.141 -10.837 1.00 0.00 C ATOM 88 CD GLN A 6 -8.717 4.840 -12.324 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.397 4.005 -12.887 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.797 5.487 -12.985 1.00 0.00 N ATOM 0 H GLN A 6 -8.772 3.873 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.570 5.971 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.960 3.318 -10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.997 4.547 -11.005 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.049 6.213 -10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.042 4.841 -10.270 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.227 6.188 -12.512 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.648 5.292 -13.975 1.00 0.00 H new ATOM 99 N THR A 7 -11.889 3.136 -7.924 1.00 0.00 N ATOM 100 CA THR A 7 -13.134 2.492 -7.489 1.00 0.00 C ATOM 101 C THR A 7 -13.036 2.081 -6.021 1.00 0.00 C ATOM 102 O THR A 7 -13.632 1.091 -5.597 1.00 0.00 O ATOM 103 CB THR A 7 -13.424 1.243 -8.344 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.453 0.474 -7.738 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.156 0.403 -8.462 1.00 0.00 C ATOM 0 H THR A 7 -11.047 2.594 -7.731 1.00 0.00 H new ATOM 0 HA THR A 7 -13.945 3.210 -7.612 1.00 0.00 H new ATOM 0 HB THR A 7 -13.748 1.552 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.140 0.132 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.360 -0.481 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.371 0.993 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.829 0.096 -7.469 1.00 0.00 H new ATOM 113 N CYS A 8 -12.291 2.869 -5.241 1.00 0.00 N ATOM 114 CA CYS A 8 -12.125 2.607 -3.807 1.00 0.00 C ATOM 115 C CYS A 8 -12.204 3.910 -3.022 1.00 0.00 C ATOM 116 O CYS A 8 -11.782 4.962 -3.501 1.00 0.00 O ATOM 117 CB CYS A 8 -10.786 1.910 -3.536 1.00 0.00 C ATOM 118 SG CYS A 8 -10.870 0.200 -4.113 1.00 0.00 S ATOM 0 H CYS A 8 -11.793 3.693 -5.577 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.930 1.948 -3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.979 2.438 -4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.560 1.935 -2.470 1.00 0.00 H new ATOM 123 N TYR A 9 -12.760 3.833 -1.812 1.00 0.00 N ATOM 124 CA TYR A 9 -12.909 5.013 -0.958 1.00 0.00 C ATOM 125 C TYR A 9 -12.726 4.644 0.512 1.00 0.00 C ATOM 126 O TYR A 9 -12.778 3.469 0.877 1.00 0.00 O ATOM 127 CB TYR A 9 -14.294 5.635 -1.167 1.00 0.00 C ATOM 128 CG TYR A 9 -15.373 4.643 -0.789 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.847 4.591 0.538 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.913 3.776 -1.765 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.861 3.675 0.893 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.925 2.857 -1.409 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.399 2.807 -0.080 1.00 0.00 C ATOM 134 OH TYR A 9 -18.421 1.942 0.257 1.00 0.00 O ATOM 0 H TYR A 9 -13.114 2.969 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.141 5.736 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.391 6.537 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.413 5.934 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.434 5.253 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.552 3.816 -2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.225 3.639 1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.336 2.192 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.757 1.502 -0.552 1.00 0.00 H new ATOM 144 N ASN A 10 -12.483 5.660 1.340 1.00 0.00 N ATOM 145 CA ASN A 10 -12.263 5.452 2.770 1.00 0.00 C ATOM 146 C ASN A 10 -11.065 4.538 2.984 1.00 0.00 C ATOM 147 O ASN A 10 -11.139 3.553 3.718 1.00 0.00 O ATOM 148 CB ASN A 10 -13.512 4.854 3.431 1.00 0.00 C ATOM 149 CG ASN A 10 -13.247 4.618 4.918 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.295 5.133 5.468 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.058 3.854 5.597 1.00 0.00 N ATOM 0 H ASN A 10 -12.434 6.635 1.044 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.061 6.418 3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.359 5.528 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.777 3.915 2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.892 3.689 6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.858 3.421 5.135 1.00 0.00 H new ATOM 158 N SER A 11 -9.953 4.877 2.326 1.00 0.00 N ATOM 159 CA SER A 11 -8.727 4.089 2.436 1.00 0.00 C ATOM 160 C SER A 11 -7.867 4.585 3.591 1.00 0.00 C ATOM 161 O SER A 11 -7.948 5.747 3.986 1.00 0.00 O ATOM 162 CB SER A 11 -7.927 4.174 1.134 1.00 0.00 C ATOM 163 OG SER A 11 -7.690 5.537 0.816 1.00 0.00 O ATOM 0 H SER A 11 -9.878 5.690 1.714 1.00 0.00 H new ATOM 0 HA SER A 11 -9.007 3.053 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.981 3.644 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.475 3.690 0.325 1.00 0.00 H new ATOM 0 HG SER A 11 -7.176 5.594 -0.017 1.00 0.00 H new ATOM 169 N ALA A 12 -7.040 3.691 4.127 1.00 0.00 N ATOM 170 CA ALA A 12 -6.164 4.040 5.239 1.00 0.00 C ATOM 171 C ALA A 12 -5.030 3.028 5.361 1.00 0.00 C ATOM 172 O ALA A 12 -5.141 1.893 4.900 1.00 0.00 O ATOM 173 CB ALA A 12 -6.962 4.079 6.532 1.00 0.00 C ATOM 0 H ALA A 12 -6.959 2.725 3.810 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.735 5.024 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.302 4.340 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.753 4.825 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.404 3.100 6.716 1.00 0.00 H new ATOM 179 N ILE A 13 -3.937 3.452 5.995 1.00 0.00 N ATOM 180 CA ILE A 13 -2.769 2.584 6.194 1.00 0.00 C ATOM 181 C ILE A 13 -2.280 2.694 7.630 1.00 0.00 C ATOM 182 O ILE A 13 -2.208 3.789 8.188 1.00 0.00 O ATOM 183 CB ILE A 13 -1.610 2.972 5.253 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.069 2.854 3.787 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.414 2.044 5.499 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.101 3.607 2.852 1.00 0.00 C ATOM 0 H ILE A 13 -3.833 4.390 6.381 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.079 1.563 5.972 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.313 4.001 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.118 1.804 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.075 3.261 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.404 2.320 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.087 2.139 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.708 1.012 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.443 3.512 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.073 4.661 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.102 3.182 2.944 1.00 0.00 H new ATOM 198 N GLN A 14 -1.939 1.551 8.226 1.00 0.00 N ATOM 199 CA GLN A 14 -1.452 1.525 9.606 1.00 0.00 C ATOM 200 C GLN A 14 -0.425 0.406 9.785 1.00 0.00 C ATOM 201 O GLN A 14 -0.771 -0.750 10.021 1.00 0.00 O ATOM 202 CB GLN A 14 -2.639 1.336 10.577 1.00 0.00 C ATOM 203 CG GLN A 14 -2.362 2.033 11.920 1.00 0.00 C ATOM 204 CD GLN A 14 -0.983 1.627 12.451 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.077 2.263 12.031 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.871 0.725 13.257 1.00 0.00 N flip ATOM 0 H GLN A 14 -1.990 0.636 7.778 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.965 2.474 9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.547 1.742 10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.813 0.273 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.407 3.115 11.793 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.132 1.765 12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.699 0.228 13.585 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.051 0.464 13.606 1.00 0.00 H new ATOM 215 N GLY A 15 0.840 0.782 9.652 1.00 0.00 N ATOM 216 CA GLY A 15 1.947 -0.156 9.781 1.00 0.00 C ATOM 217 C GLY A 15 2.348 -0.749 8.443 1.00 0.00 C ATOM 218 O GLY A 15 3.375 -0.384 7.882 1.00 0.00 O ATOM 0 H GLY A 15 1.127 1.740 9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.804 0.353 10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.665 -0.958 10.463 1.00 0.00 H new ATOM 222 N SER A 16 1.536 -1.670 7.929 1.00 0.00 N ATOM 223 CA SER A 16 1.829 -2.311 6.645 1.00 0.00 C ATOM 224 C SER A 16 0.566 -2.901 6.046 1.00 0.00 C ATOM 225 O SER A 16 0.616 -3.726 5.135 1.00 0.00 O ATOM 226 CB SER A 16 2.858 -3.412 6.847 1.00 0.00 C ATOM 227 OG SER A 16 2.237 -4.534 7.460 1.00 0.00 O ATOM 0 H SER A 16 0.676 -1.989 8.376 1.00 0.00 H new ATOM 0 HA SER A 16 2.225 -1.560 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.290 -3.701 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.676 -3.050 7.470 1.00 0.00 H new ATOM 0 HG SER A 16 2.085 -5.231 6.788 1.00 0.00 H new ATOM 233 N VAL A 17 -0.566 -2.462 6.582 1.00 0.00 N ATOM 234 CA VAL A 17 -1.874 -2.930 6.124 1.00 0.00 C ATOM 235 C VAL A 17 -2.663 -1.794 5.499 1.00 0.00 C ATOM 236 O VAL A 17 -2.897 -0.767 6.125 1.00 0.00 O ATOM 237 CB VAL A 17 -2.689 -3.536 7.287 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.083 -2.445 8.296 1.00 0.00 C ATOM 239 CG2 VAL A 17 -3.952 -4.203 6.725 1.00 0.00 C ATOM 0 H VAL A 17 -0.607 -1.779 7.338 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.699 -3.703 5.376 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.077 -4.277 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.657 -2.891 9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.183 -1.980 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.689 -1.689 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.531 -4.633 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.555 -3.459 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.668 -4.992 6.028 1.00 0.00 H new ATOM 249 N LEU A 18 -3.115 -2.015 4.270 1.00 0.00 N ATOM 250 CA LEU A 18 -3.938 -1.041 3.561 1.00 0.00 C ATOM 251 C LEU A 18 -5.362 -1.532 3.697 1.00 0.00 C ATOM 252 O LEU A 18 -5.639 -2.682 3.373 1.00 0.00 O ATOM 253 CB LEU A 18 -3.515 -0.982 2.079 1.00 0.00 C ATOM 254 CG LEU A 18 -4.440 -0.060 1.249 1.00 0.00 C ATOM 255 CD1 LEU A 18 -4.134 1.413 1.544 1.00 0.00 C ATOM 256 CD2 LEU A 18 -4.198 -0.327 -0.243 1.00 0.00 C ATOM 0 H LEU A 18 -2.924 -2.866 3.741 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.829 -0.035 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.488 -0.623 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.531 -1.987 1.657 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.477 -0.267 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.794 2.047 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.294 1.613 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.097 1.628 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.845 0.318 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.156 -0.118 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.421 -1.370 -0.467 1.00 0.00 H new ATOM 268 N THR A 19 -6.273 -0.682 4.157 1.00 0.00 N ATOM 269 CA THR A 19 -7.671 -1.068 4.315 1.00 0.00 C ATOM 270 C THR A 19 -8.511 -0.029 3.609 1.00 0.00 C ATOM 271 O THR A 19 -8.300 1.166 3.802 1.00 0.00 O ATOM 272 CB THR A 19 -8.066 -1.091 5.806 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.209 -1.979 6.510 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.515 -1.557 5.947 1.00 0.00 C ATOM 0 H THR A 19 -6.069 0.280 4.427 1.00 0.00 H new ATOM 0 HA THR A 19 -7.826 -2.064 3.900 1.00 0.00 H new ATOM 0 HB THR A 19 -7.969 -0.088 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.459 -1.992 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.791 -1.572 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.171 -0.872 5.410 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.617 -2.559 5.531 1.00 0.00 H new ATOM 282 N SER A 20 -9.449 -0.467 2.784 1.00 0.00 N ATOM 283 CA SER A 20 -10.288 0.473 2.054 1.00 0.00 C ATOM 284 C SER A 20 -11.560 -0.198 1.576 1.00 0.00 C ATOM 285 O SER A 20 -11.559 -1.371 1.200 1.00 0.00 O ATOM 286 CB SER A 20 -9.527 1.019 0.842 1.00 0.00 C ATOM 287 OG SER A 20 -10.236 2.127 0.306 1.00 0.00 O ATOM 0 H SER A 20 -9.648 -1.451 2.604 1.00 0.00 H new ATOM 0 HA SER A 20 -10.548 1.289 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.522 1.322 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.418 0.242 0.086 1.00 0.00 H new ATOM 0 HG SER A 20 -11.000 2.337 0.883 1.00 0.00 H new ATOM 293 N THR A 21 -12.642 0.569 1.569 1.00 0.00 N ATOM 294 CA THR A 21 -13.928 0.070 1.106 1.00 0.00 C ATOM 295 C THR A 21 -14.037 0.315 -0.388 1.00 0.00 C ATOM 296 O THR A 21 -13.835 1.434 -0.855 1.00 0.00 O ATOM 297 CB THR A 21 -15.083 0.779 1.829 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.865 0.710 3.232 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.404 0.094 1.482 1.00 0.00 C ATOM 0 H THR A 21 -12.654 1.541 1.879 1.00 0.00 H new ATOM 0 HA THR A 21 -13.994 -0.996 1.322 1.00 0.00 H new ATOM 0 HB THR A 21 -15.127 1.822 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.120 -0.178 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.222 0.599 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.567 0.143 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.367 -0.949 1.797 1.00 0.00 H new ATOM 307 N CYS A 22 -14.352 -0.738 -1.139 1.00 0.00 N ATOM 308 CA CYS A 22 -14.475 -0.637 -2.594 1.00 0.00 C ATOM 309 C CYS A 22 -15.789 -1.235 -3.060 1.00 0.00 C ATOM 310 O CYS A 22 -16.349 -2.116 -2.411 1.00 0.00 O ATOM 311 CB CYS A 22 -13.309 -1.371 -3.258 1.00 0.00 C ATOM 312 SG CYS A 22 -11.744 -0.775 -2.577 1.00 0.00 S ATOM 0 H CYS A 22 -14.527 -1.671 -0.766 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.453 0.416 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.402 -2.445 -3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.332 -1.210 -4.336 1.00 0.00 H new ATOM 317 N GLU A 23 -16.282 -0.734 -4.187 1.00 0.00 N ATOM 318 CA GLU A 23 -17.543 -1.208 -4.736 1.00 0.00 C ATOM 319 C GLU A 23 -17.384 -2.585 -5.370 1.00 0.00 C ATOM 320 O GLU A 23 -16.629 -2.759 -6.327 1.00 0.00 O ATOM 321 CB GLU A 23 -18.065 -0.215 -5.783 1.00 0.00 C ATOM 322 CG GLU A 23 -17.964 1.223 -5.239 1.00 0.00 C ATOM 323 CD GLU A 23 -18.902 2.145 -6.027 1.00 0.00 C ATOM 324 OE1 GLU A 23 -18.639 2.366 -7.198 1.00 0.00 O ATOM 325 OE2 GLU A 23 -19.869 2.612 -5.446 1.00 0.00 O ATOM 0 H GLU A 23 -15.829 -0.003 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.259 -1.287 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.488 -0.306 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.100 -0.447 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.227 1.240 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.937 1.580 -5.318 1.00 0.00 H new ATOM 332 N ARG A 24 -18.122 -3.555 -4.839 1.00 0.00 N ATOM 333 CA ARG A 24 -18.078 -4.911 -5.371 1.00 0.00 C ATOM 334 C ARG A 24 -18.572 -4.915 -6.805 1.00 0.00 C ATOM 335 O ARG A 24 -19.251 -3.983 -7.238 1.00 0.00 O ATOM 336 CB ARG A 24 -18.957 -5.861 -4.544 1.00 0.00 C ATOM 337 CG ARG A 24 -18.513 -5.885 -3.063 1.00 0.00 C ATOM 338 CD ARG A 24 -18.962 -7.199 -2.370 1.00 0.00 C ATOM 339 NE ARG A 24 -17.783 -8.114 -2.266 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.753 -9.061 -1.364 1.00 0.00 C ATOM 341 NH1 ARG A 24 -18.792 -9.272 -0.605 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.681 -9.794 -1.223 1.00 0.00 N ATOM 0 H ARG A 24 -18.753 -3.428 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.045 -5.255 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.999 -5.547 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.901 -6.867 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.429 -5.790 -3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.938 -5.029 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.363 -6.986 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.760 -7.674 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.996 -7.998 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.628 -8.699 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.768 -10.010 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.868 -9.628 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.657 -10.533 -0.520 1.00 0.00 H new ATOM 356 N THR A 25 -18.246 -5.975 -7.539 1.00 0.00 N ATOM 357 CA THR A 25 -18.678 -6.106 -8.928 1.00 0.00 C ATOM 358 C THR A 25 -19.945 -6.950 -8.980 1.00 0.00 C ATOM 359 O THR A 25 -20.773 -6.800 -9.878 1.00 0.00 O ATOM 360 CB THR A 25 -17.587 -6.787 -9.774 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.391 -6.023 -9.697 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.042 -6.872 -11.231 1.00 0.00 C ATOM 0 H THR A 25 -17.685 -6.755 -7.196 1.00 0.00 H new ATOM 0 HA THR A 25 -18.868 -5.111 -9.331 1.00 0.00 H new ATOM 0 HB THR A 25 -17.408 -7.793 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.693 -6.454 -10.233 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.267 -7.355 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.962 -7.454 -11.292 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.222 -5.868 -11.615 1.00 0.00 H new ATOM 370 N ASN A 26 -20.093 -7.831 -7.987 1.00 0.00 N ATOM 371 CA ASN A 26 -21.269 -8.703 -7.884 1.00 0.00 C ATOM 372 C ASN A 26 -22.205 -8.145 -6.804 1.00 0.00 C ATOM 373 O ASN A 26 -23.329 -7.738 -7.089 1.00 0.00 O ATOM 374 CB ASN A 26 -20.807 -10.148 -7.534 1.00 0.00 C ATOM 375 CG ASN A 26 -21.481 -11.176 -8.456 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.157 -12.075 -7.996 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.318 -11.078 -9.748 1.00 0.00 N ATOM 0 H ASN A 26 -19.411 -7.960 -7.240 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.807 -8.736 -8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.724 -10.222 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.050 -10.370 -6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -21.758 -11.756 -10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.751 -10.324 -10.135 1.00 0.00 H new ATOM 384 N GLY A 27 -21.724 -8.146 -5.565 1.00 0.00 N ATOM 385 CA GLY A 27 -22.508 -7.647 -4.443 1.00 0.00 C ATOM 386 C GLY A 27 -22.542 -6.126 -4.393 1.00 0.00 C ATOM 387 O GLY A 27 -22.581 -5.460 -5.426 1.00 0.00 O ATOM 0 H GLY A 27 -20.796 -8.487 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.526 -8.029 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.090 -8.030 -3.512 1.00 0.00 H new ATOM 391 N GLY A 28 -22.542 -5.582 -3.171 1.00 0.00 N ATOM 392 CA GLY A 28 -22.578 -4.133 -2.958 1.00 0.00 C ATOM 393 C GLY A 28 -21.210 -3.589 -2.597 1.00 0.00 C ATOM 394 O GLY A 28 -20.369 -3.390 -3.470 1.00 0.00 O ATOM 0 H GLY A 28 -22.517 -6.129 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.940 -3.641 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.285 -3.899 -2.162 1.00 0.00 H new ATOM 398 N TYR A 29 -20.987 -3.329 -1.304 1.00 0.00 N ATOM 399 CA TYR A 29 -19.704 -2.799 -0.826 1.00 0.00 C ATOM 400 C TYR A 29 -18.941 -3.880 -0.062 1.00 0.00 C ATOM 401 O TYR A 29 -19.543 -4.793 0.504 1.00 0.00 O ATOM 402 CB TYR A 29 -19.947 -1.607 0.107 1.00 0.00 C ATOM 403 CG TYR A 29 -20.709 -0.521 -0.626 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.115 0.132 -1.728 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.011 -0.153 -0.210 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.819 1.146 -2.414 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.711 0.863 -0.896 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.114 1.513 -1.998 1.00 0.00 C ATOM 409 OH TYR A 29 -22.732 2.606 -2.570 1.00 0.00 O ATOM 0 H TYR A 29 -21.679 -3.477 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.118 -2.479 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.510 -1.929 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.995 -1.216 0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.121 -0.144 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.469 -0.650 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.364 1.641 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.704 1.143 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.621 2.724 -2.174 1.00 0.00 H new ATOM 419 N ASN A 30 -17.611 -3.770 -0.046 1.00 0.00 N ATOM 420 CA ASN A 30 -16.764 -4.744 0.654 1.00 0.00 C ATOM 421 C ASN A 30 -15.520 -4.060 1.212 1.00 0.00 C ATOM 422 O ASN A 30 -14.759 -3.434 0.474 1.00 0.00 O ATOM 423 CB ASN A 30 -16.349 -5.862 -0.311 1.00 0.00 C ATOM 424 CG ASN A 30 -15.309 -6.777 0.345 1.00 0.00 C ATOM 425 OD1 ASN A 30 -14.041 -6.513 0.193 1.00 0.00 O flip ATOM 426 ND2 ASN A 30 -15.654 -7.740 1.001 1.00 0.00 N flip ATOM 0 H ASN A 30 -17.097 -3.020 -0.507 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.332 -5.171 1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.224 -6.444 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.938 -5.429 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.646 -7.947 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.952 -8.341 1.432 1.00 0.00 H new ATOM 433 N THR A 31 -15.317 -4.193 2.524 1.00 0.00 N ATOM 434 CA THR A 31 -14.158 -3.595 3.192 1.00 0.00 C ATOM 435 C THR A 31 -13.124 -4.659 3.519 1.00 0.00 C ATOM 436 O THR A 31 -13.210 -5.335 4.543 1.00 0.00 O ATOM 437 CB THR A 31 -14.572 -2.891 4.496 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.634 -1.987 4.225 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.377 -2.119 5.061 1.00 0.00 C ATOM 0 H THR A 31 -15.940 -4.709 3.146 1.00 0.00 H new ATOM 0 HA THR A 31 -13.730 -2.862 2.508 1.00 0.00 H new ATOM 0 HB THR A 31 -14.900 -3.633 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.901 -1.538 5.054 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.670 -1.620 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.560 -2.811 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.048 -1.375 4.335 1.00 0.00 H new ATOM 447 N SER A 32 -12.138 -4.796 2.636 1.00 0.00 N ATOM 448 CA SER A 32 -11.064 -5.773 2.815 1.00 0.00 C ATOM 449 C SER A 32 -9.755 -5.054 3.097 1.00 0.00 C ATOM 450 O SER A 32 -9.705 -3.824 3.138 1.00 0.00 O ATOM 451 CB SER A 32 -10.912 -6.611 1.547 1.00 0.00 C ATOM 452 OG SER A 32 -10.824 -5.743 0.427 1.00 0.00 O ATOM 0 H SER A 32 -12.059 -4.240 1.784 1.00 0.00 H new ATOM 0 HA SER A 32 -11.312 -6.422 3.655 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.020 -7.233 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.762 -7.284 1.436 1.00 0.00 H new ATOM 0 HG SER A 32 -9.982 -5.244 0.465 1.00 0.00 H new ATOM 458 N SER A 33 -8.691 -5.828 3.282 1.00 0.00 N ATOM 459 CA SER A 33 -7.373 -5.262 3.551 1.00 0.00 C ATOM 460 C SER A 33 -6.299 -6.086 2.856 1.00 0.00 C ATOM 461 O SER A 33 -6.477 -7.280 2.617 1.00 0.00 O ATOM 462 CB SER A 33 -7.111 -5.233 5.058 1.00 0.00 C ATOM 463 OG SER A 33 -7.394 -6.513 5.609 1.00 0.00 O ATOM 0 H SER A 33 -8.715 -6.847 3.251 1.00 0.00 H new ATOM 0 HA SER A 33 -7.344 -4.243 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.074 -4.962 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.734 -4.474 5.532 1.00 0.00 H new ATOM 0 HG SER A 33 -7.225 -6.498 6.574 1.00 0.00 H new ATOM 469 N ILE A 34 -5.183 -5.439 2.528 1.00 0.00 N ATOM 470 CA ILE A 34 -4.074 -6.114 1.851 1.00 0.00 C ATOM 471 C ILE A 34 -2.750 -5.630 2.427 1.00 0.00 C ATOM 472 O ILE A 34 -2.461 -4.433 2.438 1.00 0.00 O ATOM 473 CB ILE A 34 -4.115 -5.834 0.326 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.943 -6.531 -0.396 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.042 -4.326 0.064 1.00 0.00 C ATOM 476 CD1 ILE A 34 -3.040 -8.060 -0.233 1.00 0.00 C ATOM 0 H ILE A 34 -5.021 -4.450 2.719 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.170 -7.188 2.011 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.054 -6.230 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.954 -6.271 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.996 -6.176 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.072 -4.141 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.889 -3.833 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.113 -3.930 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.205 -8.535 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.005 -8.316 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.978 -8.413 -0.661 1.00 0.00 H new ATOM 488 N ASP A 35 -1.944 -6.569 2.911 1.00 0.00 N ATOM 489 CA ASP A 35 -0.652 -6.220 3.480 1.00 0.00 C ATOM 490 C ASP A 35 0.297 -5.836 2.351 1.00 0.00 C ATOM 491 O ASP A 35 0.584 -6.644 1.468 1.00 0.00 O ATOM 492 CB ASP A 35 -0.095 -7.408 4.308 1.00 0.00 C ATOM 493 CG ASP A 35 0.479 -6.913 5.647 1.00 0.00 C ATOM 494 OD1 ASP A 35 -0.299 -6.725 6.568 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.681 -6.727 5.724 1.00 0.00 O ATOM 0 H ASP A 35 -2.161 -7.566 2.920 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.757 -5.370 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.888 -8.133 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.682 -7.921 3.741 1.00 0.00 H new ATOM 500 N LEU A 36 0.791 -4.607 2.391 1.00 0.00 N ATOM 501 CA LEU A 36 1.714 -4.144 1.370 1.00 0.00 C ATOM 502 C LEU A 36 3.068 -4.790 1.605 1.00 0.00 C ATOM 503 O LEU A 36 4.008 -4.599 0.834 1.00 0.00 O ATOM 504 CB LEU A 36 1.860 -2.616 1.431 1.00 0.00 C ATOM 505 CG LEU A 36 0.483 -1.924 1.480 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.672 -0.463 1.901 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.178 -1.967 0.094 1.00 0.00 C ATOM 0 H LEU A 36 0.570 -3.920 3.112 1.00 0.00 H new ATOM 0 HA LEU A 36 1.330 -4.418 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.440 -2.339 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.415 -2.266 0.560 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.154 -2.442 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.298 0.033 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.137 -0.425 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.312 0.044 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.150 -1.476 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.456 -1.452 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.310 -3.004 -0.214 1.00 0.00 H new ATOM 519 N ASN A 37 3.151 -5.561 2.684 1.00 0.00 N ATOM 520 CA ASN A 37 4.387 -6.237 3.034 1.00 0.00 C ATOM 521 C ASN A 37 4.707 -7.351 2.058 1.00 0.00 C ATOM 522 O ASN A 37 5.856 -7.758 1.945 1.00 0.00 O ATOM 523 CB ASN A 37 4.304 -6.818 4.445 1.00 0.00 C ATOM 524 CG ASN A 37 5.631 -7.501 4.790 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.676 -6.772 5.066 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.718 -8.712 4.796 1.00 0.00 N flip ATOM 0 H ASN A 37 2.378 -5.731 3.327 1.00 0.00 H new ATOM 0 HA ASN A 37 5.182 -5.493 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.091 -6.027 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.486 -7.535 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.901 -9.283 4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.608 -9.158 5.017 1.00 0.00 H new ATOM 533 N SER A 38 3.701 -7.874 1.368 1.00 0.00 N ATOM 534 CA SER A 38 3.931 -8.965 0.428 1.00 0.00 C ATOM 535 C SER A 38 4.272 -8.434 -0.960 1.00 0.00 C ATOM 536 O SER A 38 4.413 -9.211 -1.903 1.00 0.00 O ATOM 537 CB SER A 38 2.673 -9.827 0.338 1.00 0.00 C ATOM 538 OG SER A 38 2.292 -10.240 1.644 1.00 0.00 O ATOM 0 H SER A 38 2.731 -7.566 1.439 1.00 0.00 H new ATOM 0 HA SER A 38 4.773 -9.556 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.865 -9.263 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.859 -10.697 -0.291 1.00 0.00 H new ATOM 0 HG SER A 38 1.484 -10.792 1.590 1.00 0.00 H new ATOM 544 N VAL A 39 4.387 -7.110 -1.099 1.00 0.00 N ATOM 545 CA VAL A 39 4.692 -6.514 -2.407 1.00 0.00 C ATOM 546 C VAL A 39 5.583 -5.271 -2.275 1.00 0.00 C ATOM 547 O VAL A 39 5.755 -4.525 -3.235 1.00 0.00 O ATOM 548 CB VAL A 39 3.384 -6.136 -3.144 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.694 -7.404 -3.657 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.435 -5.418 -2.181 1.00 0.00 C ATOM 0 H VAL A 39 4.276 -6.439 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 39 5.236 -7.262 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 39 3.629 -5.481 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.774 -7.133 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.358 -7.926 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.458 -8.056 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.516 -5.154 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.200 -6.076 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.912 -4.512 -1.807 1.00 0.00 H new ATOM 560 N ILE A 40 6.154 -5.059 -1.085 1.00 0.00 N ATOM 561 CA ILE A 40 7.041 -3.899 -0.849 1.00 0.00 C ATOM 562 C ILE A 40 8.289 -4.317 -0.059 1.00 0.00 C ATOM 563 O ILE A 40 8.199 -5.071 0.902 1.00 0.00 O ATOM 564 CB ILE A 40 6.305 -2.771 -0.075 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.131 -2.203 -0.908 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.280 -1.645 0.287 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.602 -1.205 -1.979 1.00 0.00 C ATOM 0 H ILE A 40 6.024 -5.664 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 40 7.339 -3.520 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 40 5.903 -3.201 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.599 -3.024 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.422 -1.710 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.748 -0.863 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.078 -2.042 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.708 -1.228 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.741 -0.836 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.110 -0.368 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.290 -1.703 -2.663 1.00 0.00 H new ATOM 579 N ALA A 41 9.458 -3.802 -0.483 1.00 0.00 N ATOM 580 CA ALA A 41 10.748 -4.107 0.172 1.00 0.00 C ATOM 581 C ALA A 41 11.466 -2.814 0.594 1.00 0.00 C ATOM 582 O ALA A 41 11.328 -1.780 -0.058 1.00 0.00 O ATOM 583 CB ALA A 41 11.636 -4.889 -0.801 1.00 0.00 C ATOM 0 H ALA A 41 9.538 -3.170 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 41 10.555 -4.703 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.588 -5.116 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.139 -5.818 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.813 -4.290 -1.694 1.00 0.00 H new ATOM 589 N ALA A 42 12.236 -2.885 1.691 1.00 0.00 N ATOM 590 CA ALA A 42 12.988 -1.719 2.194 1.00 0.00 C ATOM 591 C ALA A 42 14.470 -1.841 1.847 1.00 0.00 C ATOM 592 O ALA A 42 15.164 -2.714 2.369 1.00 0.00 O ATOM 593 CB ALA A 42 12.857 -1.613 3.710 1.00 0.00 C ATOM 0 H ALA A 42 12.356 -3.732 2.246 1.00 0.00 H new ATOM 0 HA ALA A 42 12.571 -0.830 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.418 -0.748 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.806 -1.499 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.253 -2.516 4.173 1.00 0.00 H new ATOM 599 N VAL A 43 14.951 -0.966 0.960 1.00 0.00 N ATOM 600 CA VAL A 43 16.360 -0.983 0.544 1.00 0.00 C ATOM 601 C VAL A 43 16.977 0.409 0.643 1.00 0.00 C ATOM 602 O VAL A 43 16.677 1.286 -0.166 1.00 0.00 O ATOM 603 CB VAL A 43 16.491 -1.466 -0.911 1.00 0.00 C ATOM 604 CG1 VAL A 43 17.970 -1.521 -1.304 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.877 -2.863 -1.036 1.00 0.00 C ATOM 0 H VAL A 43 14.390 -0.239 0.516 1.00 0.00 H new ATOM 0 HA VAL A 43 16.885 -1.665 1.212 1.00 0.00 H new ATOM 0 HB VAL A 43 15.969 -0.775 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.060 -1.863 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.408 -0.527 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.496 -2.212 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.968 -3.209 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.402 -3.552 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.824 -2.824 -0.758 1.00 0.00 H new ATOM 615 N ASP A 44 17.834 0.598 1.646 1.00 0.00 N ATOM 616 CA ASP A 44 18.506 1.878 1.866 1.00 0.00 C ATOM 617 C ASP A 44 17.508 2.996 2.135 1.00 0.00 C ATOM 618 O ASP A 44 17.775 4.157 1.828 1.00 0.00 O ATOM 619 CB ASP A 44 19.382 2.253 0.665 1.00 0.00 C ATOM 620 CG ASP A 44 20.531 1.254 0.532 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.652 0.400 1.394 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.272 1.360 -0.431 1.00 0.00 O ATOM 0 H ASP A 44 18.080 -0.124 2.323 1.00 0.00 H new ATOM 0 HA ASP A 44 19.138 1.758 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.784 2.257 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.777 3.261 0.792 1.00 0.00 H new ATOM 627 N GLY A 45 16.360 2.653 2.713 1.00 0.00 N ATOM 628 CA GLY A 45 15.350 3.653 3.018 1.00 0.00 C ATOM 629 C GLY A 45 14.477 3.971 1.823 1.00 0.00 C ATOM 630 O GLY A 45 13.982 5.089 1.689 1.00 0.00 O ATOM 0 H GLY A 45 16.111 1.700 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.725 3.297 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.837 4.565 3.362 1.00 0.00 H new ATOM 634 N SER A 46 14.286 2.983 0.946 1.00 0.00 N ATOM 635 CA SER A 46 13.464 3.168 -0.256 1.00 0.00 C ATOM 636 C SER A 46 12.482 2.014 -0.424 1.00 0.00 C ATOM 637 O SER A 46 12.875 0.847 -0.421 1.00 0.00 O ATOM 638 CB SER A 46 14.363 3.242 -1.492 1.00 0.00 C ATOM 639 OG SER A 46 15.258 4.339 -1.361 1.00 0.00 O ATOM 0 H SER A 46 14.687 2.050 1.043 1.00 0.00 H new ATOM 0 HA SER A 46 12.904 4.097 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.923 2.313 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.756 3.359 -2.390 1.00 0.00 H new ATOM 0 HG SER A 46 15.835 4.386 -2.151 1.00 0.00 H new ATOM 645 N LEU A 47 11.201 2.350 -0.590 1.00 0.00 N ATOM 646 CA LEU A 47 10.163 1.335 -0.784 1.00 0.00 C ATOM 647 C LEU A 47 9.979 1.061 -2.268 1.00 0.00 C ATOM 648 O LEU A 47 9.651 1.964 -3.038 1.00 0.00 O ATOM 649 CB LEU A 47 8.828 1.806 -0.201 1.00 0.00 C ATOM 650 CG LEU A 47 8.974 2.161 1.283 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.681 2.837 1.755 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.226 0.899 2.120 1.00 0.00 C ATOM 0 H LEU A 47 10.859 3.311 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 47 10.478 0.426 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.472 2.675 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.078 1.024 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 47 9.823 2.833 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.770 3.096 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.510 3.742 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.843 2.154 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.327 1.173 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.388 0.212 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.142 0.415 1.782 1.00 0.00 H new ATOM 664 N LYS A 48 10.191 -0.193 -2.662 1.00 0.00 N ATOM 665 CA LYS A 48 10.047 -0.601 -4.063 1.00 0.00 C ATOM 666 C LYS A 48 9.064 -1.756 -4.170 1.00 0.00 C ATOM 667 O LYS A 48 8.947 -2.567 -3.255 1.00 0.00 O ATOM 668 CB LYS A 48 11.408 -1.035 -4.625 1.00 0.00 C ATOM 669 CG LYS A 48 12.441 0.112 -4.499 1.00 0.00 C ATOM 670 CD LYS A 48 12.327 1.088 -5.697 1.00 0.00 C ATOM 671 CE LYS A 48 13.117 0.559 -6.913 1.00 0.00 C ATOM 672 NZ LYS A 48 12.466 1.040 -8.164 1.00 0.00 N ATOM 0 H LYS A 48 10.464 -0.947 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 48 9.672 0.246 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.765 -1.914 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.301 -1.322 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.279 0.653 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.448 -0.302 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.279 1.218 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.706 2.069 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.150 0.905 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.145 -0.531 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.994 0.687 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.488 0.689 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.462 2.080 -8.175 1.00 0.00 H new ATOM 686 N TRP A 49 8.354 -1.818 -5.291 1.00 0.00 N ATOM 687 CA TRP A 49 7.371 -2.873 -5.505 1.00 0.00 C ATOM 688 C TRP A 49 8.050 -4.229 -5.627 1.00 0.00 C ATOM 689 O TRP A 49 9.237 -4.353 -5.332 1.00 0.00 O ATOM 690 CB TRP A 49 6.549 -2.570 -6.761 1.00 0.00 C ATOM 691 CG TRP A 49 5.648 -1.420 -6.464 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.760 -0.178 -6.987 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.512 -1.389 -5.562 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.768 0.623 -6.448 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.969 -0.079 -5.569 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.901 -2.368 -4.741 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.860 0.254 -4.788 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.775 -2.040 -3.953 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.256 -0.728 -3.975 1.00 0.00 C ATOM 0 H TRP A 49 8.440 -1.155 -6.061 1.00 0.00 H new ATOM 0 HA TRP A 49 6.704 -2.908 -4.644 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.207 -2.331 -7.597 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.966 -3.443 -7.053 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.501 0.137 -7.707 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.643 1.610 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.298 -3.372 -4.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.466 1.260 -4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.311 -2.794 -3.334 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.397 -0.476 -3.370 1.00 0.00 H new ATOM 710 N GLN A 50 7.274 -5.245 -6.038 1.00 0.00 N ATOM 711 CA GLN A 50 7.782 -6.620 -6.177 1.00 0.00 C ATOM 712 C GLN A 50 8.841 -6.914 -5.120 1.00 0.00 C ATOM 713 O GLN A 50 9.971 -7.288 -5.429 1.00 0.00 O ATOM 714 CB GLN A 50 8.357 -6.856 -7.580 1.00 0.00 C ATOM 715 CG GLN A 50 9.427 -5.803 -7.919 1.00 0.00 C ATOM 716 CD GLN A 50 10.274 -6.293 -9.096 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.707 -7.525 -9.101 1.00 0.00 O flip ATOM 718 NE2 GLN A 50 10.548 -5.549 -10.015 1.00 0.00 N flip ATOM 0 H GLN A 50 6.289 -5.139 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 50 6.943 -7.300 -6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.792 -7.854 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.555 -6.816 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.952 -4.855 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.062 -5.622 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.209 -4.587 -10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.117 -5.886 -10.792 1.00 0.00 H new ATOM 727 N GLY A 51 8.452 -6.748 -3.865 1.00 0.00 N ATOM 728 CA GLY A 51 9.357 -6.985 -2.759 1.00 0.00 C ATOM 729 C GLY A 51 8.621 -7.297 -1.480 1.00 0.00 C ATOM 730 O GLY A 51 7.392 -7.243 -1.430 1.00 0.00 O ATOM 0 H GLY A 51 7.516 -6.450 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.021 -7.813 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.985 -6.106 -2.610 1.00 0.00 H new ATOM 734 N SER A 52 9.377 -7.637 -0.441 1.00 0.00 N ATOM 735 CA SER A 52 8.782 -7.974 0.847 1.00 0.00 C ATOM 736 C SER A 52 9.772 -7.732 1.982 1.00 0.00 C ATOM 737 O SER A 52 10.960 -7.510 1.751 1.00 0.00 O ATOM 738 CB SER A 52 8.340 -9.443 0.834 1.00 0.00 C ATOM 739 OG SER A 52 9.345 -10.226 0.206 1.00 0.00 O ATOM 0 H SER A 52 10.396 -7.686 -0.465 1.00 0.00 H new ATOM 0 HA SER A 52 7.915 -7.334 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.172 -9.794 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.395 -9.546 0.301 1.00 0.00 H new ATOM 0 HG SER A 52 9.069 -11.166 0.196 1.00 0.00 H new ATOM 745 N ASN A 53 9.266 -7.785 3.209 1.00 0.00 N ATOM 746 CA ASN A 53 10.103 -7.582 4.382 1.00 0.00 C ATOM 747 C ASN A 53 10.594 -6.132 4.450 1.00 0.00 C ATOM 748 O ASN A 53 11.797 -5.877 4.530 1.00 0.00 O ATOM 749 CB ASN A 53 11.294 -8.565 4.327 1.00 0.00 C ATOM 750 CG ASN A 53 11.731 -8.970 5.741 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.452 -10.068 6.182 1.00 0.00 O ATOM 752 ND2 ASN A 53 12.404 -8.125 6.472 1.00 0.00 N ATOM 0 H ASN A 53 8.284 -7.966 3.415 1.00 0.00 H new ATOM 0 HA ASN A 53 9.520 -7.775 5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.013 -9.453 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.129 -8.102 3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.696 -8.385 7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.638 -7.204 6.102 1.00 0.00 H new ATOM 759 N PHE A 54 9.650 -5.183 4.430 1.00 0.00 N ATOM 760 CA PHE A 54 9.981 -3.753 4.500 1.00 0.00 C ATOM 761 C PHE A 54 9.499 -3.175 5.823 1.00 0.00 C ATOM 762 O PHE A 54 10.150 -2.319 6.411 1.00 0.00 O ATOM 763 CB PHE A 54 9.329 -3.002 3.304 1.00 0.00 C ATOM 764 CG PHE A 54 7.950 -2.466 3.643 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.817 -1.236 4.315 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.808 -3.192 3.275 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.532 -0.732 4.621 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.520 -2.694 3.575 1.00 0.00 C ATOM 769 CZ PHE A 54 5.382 -1.463 4.251 1.00 0.00 C ATOM 0 H PHE A 54 8.651 -5.379 4.366 1.00 0.00 H new ATOM 0 HA PHE A 54 11.062 -3.629 4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.973 -2.176 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.255 -3.677 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.697 -0.677 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.913 -4.136 2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.430 0.211 5.137 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.643 -3.255 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.399 -1.081 4.485 1.00 0.00 H new ATOM 779 N ILE A 55 8.359 -3.675 6.278 1.00 0.00 N ATOM 780 CA ILE A 55 7.775 -3.215 7.530 1.00 0.00 C ATOM 781 C ILE A 55 8.722 -3.459 8.690 1.00 0.00 C ATOM 782 O ILE A 55 8.833 -2.630 9.592 1.00 0.00 O ATOM 783 CB ILE A 55 6.445 -3.938 7.820 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.810 -3.406 9.126 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.703 -5.441 7.965 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.602 -1.876 9.059 1.00 0.00 C ATOM 0 H ILE A 55 7.821 -4.398 5.800 1.00 0.00 H new ATOM 0 HA ILE A 55 7.591 -2.146 7.425 1.00 0.00 H new ATOM 0 HB ILE A 55 5.761 -3.753 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.853 -3.899 9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.451 -3.653 9.973 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.763 -5.953 8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.133 -5.827 7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.397 -5.613 8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.154 -1.529 9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.564 -1.384 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.941 -1.635 8.226 1.00 0.00 H new ATOM 798 N GLU A 56 9.401 -4.597 8.672 1.00 0.00 N ATOM 799 CA GLU A 56 10.329 -4.913 9.745 1.00 0.00 C ATOM 800 C GLU A 56 11.342 -3.789 9.896 1.00 0.00 C ATOM 801 O GLU A 56 11.891 -3.577 10.977 1.00 0.00 O ATOM 802 CB GLU A 56 11.064 -6.230 9.456 1.00 0.00 C ATOM 803 CG GLU A 56 10.087 -7.426 9.527 1.00 0.00 C ATOM 804 CD GLU A 56 10.862 -8.711 9.840 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.681 -8.676 10.744 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.623 -9.705 9.174 1.00 0.00 O ATOM 0 H GLU A 56 9.329 -5.304 7.941 1.00 0.00 H new ATOM 0 HA GLU A 56 9.763 -5.024 10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.523 -6.187 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.870 -6.369 10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.335 -7.248 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.557 -7.531 8.580 1.00 0.00 H new ATOM 813 N ALA A 57 11.591 -3.074 8.798 1.00 0.00 N ATOM 814 CA ALA A 57 12.550 -1.968 8.796 1.00 0.00 C ATOM 815 C ALA A 57 11.849 -0.632 8.571 1.00 0.00 C ATOM 816 O ALA A 57 12.494 0.339 8.184 1.00 0.00 O ATOM 817 CB ALA A 57 13.576 -2.193 7.697 1.00 0.00 C ATOM 0 H ALA A 57 11.141 -3.241 7.898 1.00 0.00 H new ATOM 0 HA ALA A 57 13.042 -1.937 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.291 -1.371 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.102 -3.131 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.071 -2.239 6.732 1.00 0.00 H new ATOM 823 N CYS A 58 10.525 -0.579 8.801 1.00 0.00 N ATOM 824 CA CYS A 58 9.759 0.668 8.605 1.00 0.00 C ATOM 825 C CYS A 58 8.802 0.921 9.770 1.00 0.00 C ATOM 826 O CYS A 58 8.493 0.021 10.549 1.00 0.00 O ATOM 827 CB CYS A 58 8.956 0.600 7.276 1.00 0.00 C ATOM 828 SG CYS A 58 9.483 1.898 6.119 1.00 0.00 S ATOM 0 H CYS A 58 9.968 -1.372 9.118 1.00 0.00 H new ATOM 0 HA CYS A 58 10.471 1.492 8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.093 -0.378 6.815 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.892 0.707 7.486 1.00 0.00 H new ATOM 833 N ARG A 59 8.316 2.161 9.848 1.00 0.00 N ATOM 834 CA ARG A 59 7.366 2.550 10.883 1.00 0.00 C ATOM 835 C ARG A 59 6.624 3.820 10.472 1.00 0.00 C ATOM 836 O ARG A 59 6.972 4.461 9.478 1.00 0.00 O ATOM 837 CB ARG A 59 8.070 2.751 12.241 1.00 0.00 C ATOM 838 CG ARG A 59 9.069 3.942 12.215 1.00 0.00 C ATOM 839 CD ARG A 59 10.457 3.488 11.752 1.00 0.00 C ATOM 840 NE ARG A 59 11.416 4.619 11.907 1.00 0.00 N ATOM 841 CZ ARG A 59 11.790 5.005 13.100 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.407 4.337 14.153 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.546 6.060 13.237 1.00 0.00 N ATOM 0 H ARG A 59 8.567 2.911 9.204 1.00 0.00 H new ATOM 0 HA ARG A 59 6.643 1.742 10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.321 2.924 13.014 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.602 1.839 12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.696 4.719 11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.140 4.383 13.209 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.788 2.631 12.339 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.420 3.166 10.711 1.00 0.00 H new ATOM 0 HE ARG A 59 11.781 5.093 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.815 3.513 14.047 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.699 4.639 15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.845 6.583 12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.838 6.361 14.167 1.00 0.00 H new ATOM 857 N ASN A 60 5.608 4.182 11.245 1.00 0.00 N ATOM 858 CA ASN A 60 4.829 5.380 10.957 1.00 0.00 C ATOM 859 C ASN A 60 4.349 5.381 9.515 1.00 0.00 C ATOM 860 O ASN A 60 4.741 6.243 8.728 1.00 0.00 O ATOM 861 CB ASN A 60 5.675 6.630 11.194 1.00 0.00 C ATOM 862 CG ASN A 60 6.186 6.640 12.631 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.444 6.369 13.553 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.432 6.947 12.864 1.00 0.00 N ATOM 0 H ASN A 60 5.305 3.667 12.072 1.00 0.00 H new ATOM 0 HA ASN A 60 3.966 5.383 11.623 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.515 6.650 10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.082 7.524 11.003 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.784 6.960 13.821 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.055 7.175 12.089 1.00 0.00 H new ATOM 871 N THR A 61 3.487 4.427 9.167 1.00 0.00 N ATOM 872 CA THR A 61 2.947 4.343 7.813 1.00 0.00 C ATOM 873 C THR A 61 1.525 4.896 7.801 1.00 0.00 C ATOM 874 O THR A 61 0.760 4.674 8.738 1.00 0.00 O ATOM 875 CB THR A 61 2.944 2.878 7.324 1.00 0.00 C ATOM 876 OG1 THR A 61 1.892 2.172 7.954 1.00 0.00 O ATOM 877 CG2 THR A 61 4.288 2.198 7.656 1.00 0.00 C ATOM 0 H THR A 61 3.149 3.704 9.802 1.00 0.00 H new ATOM 0 HA THR A 61 3.574 4.931 7.143 1.00 0.00 H new ATOM 0 HB THR A 61 2.800 2.868 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.615 1.422 7.387 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.270 1.166 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.099 2.735 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.446 2.212 8.734 1.00 0.00 H new ATOM 885 N GLN A 62 1.177 5.630 6.745 1.00 0.00 N ATOM 886 CA GLN A 62 -0.156 6.226 6.646 1.00 0.00 C ATOM 887 C GLN A 62 -0.497 6.576 5.195 1.00 0.00 C ATOM 888 O GLN A 62 0.389 6.689 4.347 1.00 0.00 O ATOM 889 CB GLN A 62 -0.216 7.490 7.516 1.00 0.00 C ATOM 890 CG GLN A 62 0.859 8.516 7.074 1.00 0.00 C ATOM 891 CD GLN A 62 0.286 9.467 6.017 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.545 9.316 4.841 1.00 0.00 O ATOM 893 NE2 GLN A 62 -0.485 10.450 6.396 1.00 0.00 N ATOM 0 H GLN A 62 1.791 5.825 5.954 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.888 5.499 6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.206 7.940 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.063 7.224 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.204 9.086 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.726 7.993 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.702 10.576 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.870 11.092 5.703 1.00 0.00 H new ATOM 902 N LEU A 63 -1.790 6.752 4.922 1.00 0.00 N ATOM 903 CA LEU A 63 -2.253 7.102 3.578 1.00 0.00 C ATOM 904 C LEU A 63 -2.033 8.587 3.326 1.00 0.00 C ATOM 905 O LEU A 63 -2.345 9.420 4.176 1.00 0.00 O ATOM 906 CB LEU A 63 -3.748 6.769 3.448 1.00 0.00 C ATOM 907 CG LEU A 63 -4.235 6.932 1.969 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.328 5.565 1.268 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.625 7.591 1.943 1.00 0.00 C ATOM 0 H LEU A 63 -2.535 6.658 5.612 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.689 6.529 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.927 5.747 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.328 7.423 4.099 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.511 7.557 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.668 5.705 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.346 5.091 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.035 4.930 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.956 7.701 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.334 6.967 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.571 8.573 2.413 1.00 0.00 H new ATOM 921 N ALA A 64 -1.497 8.916 2.149 1.00 0.00 N ATOM 922 CA ALA A 64 -1.233 10.312 1.781 1.00 0.00 C ATOM 923 C ALA A 64 -1.868 10.636 0.434 1.00 0.00 C ATOM 924 O ALA A 64 -1.811 9.836 -0.496 1.00 0.00 O ATOM 925 CB ALA A 64 0.270 10.544 1.713 1.00 0.00 C ATOM 0 H ALA A 64 -1.237 8.237 1.434 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.669 10.966 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.466 11.581 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.715 10.335 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.707 9.883 0.965 1.00 0.00 H new ATOM 931 N GLY A 65 -2.460 11.823 0.338 1.00 0.00 N ATOM 932 CA GLY A 65 -3.092 12.259 -0.896 1.00 0.00 C ATOM 933 C GLY A 65 -4.396 11.531 -1.183 1.00 0.00 C ATOM 934 O GLY A 65 -5.443 12.159 -1.327 1.00 0.00 O ATOM 0 H GLY A 65 -2.513 12.497 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.285 13.330 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.404 12.101 -1.726 1.00 0.00 H new ATOM 938 N SER A 66 -4.325 10.204 -1.250 1.00 0.00 N ATOM 939 CA SER A 66 -5.508 9.380 -1.513 1.00 0.00 C ATOM 940 C SER A 66 -5.105 7.951 -1.859 1.00 0.00 C ATOM 941 O SER A 66 -5.734 6.998 -1.403 1.00 0.00 O ATOM 942 CB SER A 66 -6.327 9.966 -2.675 1.00 0.00 C ATOM 943 OG SER A 66 -7.089 8.932 -3.286 1.00 0.00 O ATOM 0 H SER A 66 -3.462 9.674 -1.126 1.00 0.00 H new ATOM 0 HA SER A 66 -6.115 9.373 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.988 10.752 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.663 10.424 -3.408 1.00 0.00 H new ATOM 0 HG SER A 66 -7.612 9.305 -4.026 1.00 0.00 H new ATOM 949 N SER A 67 -4.073 7.809 -2.697 1.00 0.00 N ATOM 950 CA SER A 67 -3.606 6.485 -3.131 1.00 0.00 C ATOM 951 C SER A 67 -2.099 6.339 -2.931 1.00 0.00 C ATOM 952 O SER A 67 -1.486 5.425 -3.479 1.00 0.00 O ATOM 953 CB SER A 67 -3.954 6.286 -4.618 1.00 0.00 C ATOM 954 OG SER A 67 -2.805 6.522 -5.422 1.00 0.00 O ATOM 0 H SER A 67 -3.546 8.590 -3.088 1.00 0.00 H new ATOM 0 HA SER A 67 -4.103 5.727 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.321 5.273 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.756 6.966 -4.907 1.00 0.00 H new ATOM 0 HG SER A 67 -2.119 5.853 -5.216 1.00 0.00 H new ATOM 960 N GLU A 68 -1.500 7.234 -2.146 1.00 0.00 N ATOM 961 CA GLU A 68 -0.058 7.170 -1.884 1.00 0.00 C ATOM 962 C GLU A 68 0.192 6.606 -0.498 1.00 0.00 C ATOM 963 O GLU A 68 -0.644 6.733 0.397 1.00 0.00 O ATOM 964 CB GLU A 68 0.581 8.557 -2.023 1.00 0.00 C ATOM 965 CG GLU A 68 0.063 9.233 -3.307 1.00 0.00 C ATOM 966 CD GLU A 68 1.000 10.373 -3.721 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.200 10.215 -3.564 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.501 11.380 -4.196 1.00 0.00 O ATOM 0 H GLU A 68 -1.982 8.005 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 68 0.401 6.511 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.340 9.169 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.667 8.467 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.006 8.499 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.942 9.621 -3.142 1.00 0.00 H new ATOM 975 N LEU A 69 1.354 5.978 -0.331 1.00 0.00 N ATOM 976 CA LEU A 69 1.739 5.374 0.947 1.00 0.00 C ATOM 977 C LEU A 69 3.008 6.035 1.440 1.00 0.00 C ATOM 978 O LEU A 69 4.063 5.917 0.827 1.00 0.00 O ATOM 979 CB LEU A 69 1.919 3.851 0.734 1.00 0.00 C ATOM 980 CG LEU A 69 2.620 3.084 1.916 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.112 2.853 1.626 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.479 3.790 3.283 1.00 0.00 C ATOM 0 H LEU A 69 2.051 5.873 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 69 0.971 5.523 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.938 3.406 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.501 3.694 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 69 2.098 2.129 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.567 2.321 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.219 2.260 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.610 3.814 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.986 3.204 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.928 4.782 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.423 3.883 3.537 1.00 0.00 H new ATOM 994 N ALA A 70 2.889 6.751 2.555 1.00 0.00 N ATOM 995 CA ALA A 70 4.022 7.449 3.153 1.00 0.00 C ATOM 996 C ALA A 70 4.476 6.690 4.386 1.00 0.00 C ATOM 997 O ALA A 70 3.657 6.254 5.191 1.00 0.00 O ATOM 998 CB ALA A 70 3.611 8.861 3.537 1.00 0.00 C ATOM 0 H ALA A 70 2.013 6.863 3.065 1.00 0.00 H new ATOM 0 HA ALA A 70 4.841 7.503 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.460 9.378 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.284 9.400 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.793 8.819 4.256 1.00 0.00 H new ATOM 1004 N ALA A 71 5.781 6.531 4.528 1.00 0.00 N ATOM 1005 CA ALA A 71 6.332 5.815 5.667 1.00 0.00 C ATOM 1006 C ALA A 71 7.810 6.127 5.801 1.00 0.00 C ATOM 1007 O ALA A 71 8.387 6.811 4.956 1.00 0.00 O ATOM 1008 CB ALA A 71 6.135 4.318 5.475 1.00 0.00 C ATOM 0 H ALA A 71 6.477 6.886 3.872 1.00 0.00 H new ATOM 0 HA ALA A 71 5.817 6.130 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.549 3.784 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.071 4.099 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.644 3.998 4.566 1.00 0.00 H new ATOM 1014 N GLU A 72 8.421 5.613 6.863 1.00 0.00 N ATOM 1015 CA GLU A 72 9.846 5.825 7.111 1.00 0.00 C ATOM 1016 C GLU A 72 10.554 4.484 7.192 1.00 0.00 C ATOM 1017 O GLU A 72 10.186 3.656 8.012 1.00 0.00 O ATOM 1018 CB GLU A 72 10.037 6.582 8.429 1.00 0.00 C ATOM 1019 CG GLU A 72 9.616 8.050 8.276 1.00 0.00 C ATOM 1020 CD GLU A 72 10.105 8.848 9.491 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.302 8.847 9.732 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.276 9.444 10.158 1.00 0.00 O ATOM 0 H GLU A 72 7.952 5.045 7.569 1.00 0.00 H new ATOM 0 HA GLU A 72 10.267 6.411 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.448 6.109 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.081 6.528 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.035 8.467 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.532 8.122 8.192 1.00 0.00 H new ATOM 1029 N CYS A 73 11.598 4.290 6.366 1.00 0.00 N ATOM 1030 CA CYS A 73 12.377 3.037 6.372 1.00 0.00 C ATOM 1031 C CYS A 73 13.840 3.326 6.710 1.00 0.00 C ATOM 1032 O CYS A 73 14.380 4.376 6.362 1.00 0.00 O ATOM 1033 CB CYS A 73 12.268 2.321 5.005 1.00 0.00 C ATOM 1034 SG CYS A 73 10.974 1.051 5.060 1.00 0.00 S ATOM 0 H CYS A 73 11.921 4.981 5.689 1.00 0.00 H new ATOM 0 HA CYS A 73 11.966 2.377 7.136 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.042 3.047 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.224 1.865 4.749 1.00 0.00 H new ATOM 1039 N LYS A 74 14.456 2.378 7.408 1.00 0.00 N ATOM 1040 CA LYS A 74 15.847 2.507 7.833 1.00 0.00 C ATOM 1041 C LYS A 74 16.818 2.343 6.657 1.00 0.00 C ATOM 1042 O LYS A 74 16.669 1.449 5.825 1.00 0.00 O ATOM 1043 CB LYS A 74 16.138 1.450 8.938 1.00 0.00 C ATOM 1044 CG LYS A 74 16.747 2.107 10.186 1.00 0.00 C ATOM 1045 CD LYS A 74 16.856 1.065 11.303 1.00 0.00 C ATOM 1046 CE LYS A 74 17.474 1.696 12.560 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.954 1.761 12.405 1.00 0.00 N ATOM 0 H LYS A 74 14.011 1.506 7.694 1.00 0.00 H new ATOM 0 HA LYS A 74 15.999 3.510 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.215 0.937 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.821 0.694 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.732 2.513 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.127 2.942 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.869 0.666 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.468 0.227 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.069 2.696 12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.215 1.108 13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.409 1.314 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.235 1.259 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.253 2.755 12.342 1.00 0.00 H new ATOM 1061 N THR A 75 17.809 3.230 6.614 1.00 0.00 N ATOM 1062 CA THR A 75 18.820 3.211 5.560 1.00 0.00 C ATOM 1063 C THR A 75 19.914 2.197 5.891 1.00 0.00 C ATOM 1064 O THR A 75 19.916 1.603 6.969 1.00 0.00 O ATOM 1065 CB THR A 75 19.471 4.600 5.393 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.919 5.064 6.658 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.450 5.588 4.819 1.00 0.00 C ATOM 0 H THR A 75 17.934 3.974 7.300 1.00 0.00 H new ATOM 0 HA THR A 75 18.322 2.932 4.632 1.00 0.00 H new ATOM 0 HB THR A 75 20.317 4.522 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.788 5.506 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.916 6.567 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.106 5.233 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.600 5.668 5.497 1.00 0.00 H new ATOM 1075 N ALA A 76 20.842 2.004 4.958 1.00 0.00 N ATOM 1076 CA ALA A 76 21.934 1.060 5.166 1.00 0.00 C ATOM 1077 C ALA A 76 22.794 1.487 6.350 1.00 0.00 C ATOM 1078 O ALA A 76 23.438 0.658 6.993 1.00 0.00 O ATOM 1079 CB ALA A 76 22.791 0.977 3.910 1.00 0.00 C ATOM 0 H ALA A 76 20.860 2.484 4.058 1.00 0.00 H new ATOM 0 HA ALA A 76 21.509 0.079 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.605 0.270 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.179 0.641 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.203 1.961 3.685 1.00 0.00 H new ATOM 1085 N ALA A 77 22.809 2.788 6.624 1.00 0.00 N ATOM 1086 CA ALA A 77 23.602 3.326 7.726 1.00 0.00 C ATOM 1087 C ALA A 77 22.843 3.239 9.043 1.00 0.00 C ATOM 1088 O ALA A 77 23.427 3.415 10.112 1.00 0.00 O ATOM 1089 CB ALA A 77 23.954 4.777 7.440 1.00 0.00 C ATOM 0 H ALA A 77 22.283 3.488 6.100 1.00 0.00 H new ATOM 0 HA ALA A 77 24.512 2.732 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.546 5.177 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.530 4.836 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.039 5.359 7.335 1.00 0.00 H new ATOM 1095 N GLY A 78 21.539 2.965 8.976 1.00 0.00 N ATOM 1096 CA GLY A 78 20.725 2.863 10.178 1.00 0.00 C ATOM 1097 C GLY A 78 19.975 4.152 10.466 1.00 0.00 C ATOM 1098 O GLY A 78 19.830 4.542 11.625 1.00 0.00 O ATOM 0 H GLY A 78 21.031 2.811 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.012 2.046 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.362 2.616 11.028 1.00 0.00 H new ATOM 1102 N GLN A 79 19.481 4.813 9.408 1.00 0.00 N ATOM 1103 CA GLN A 79 18.728 6.069 9.563 1.00 0.00 C ATOM 1104 C GLN A 79 17.387 5.981 8.833 1.00 0.00 C ATOM 1105 O GLN A 79 17.308 5.569 7.679 1.00 0.00 O ATOM 1106 CB GLN A 79 19.543 7.267 9.010 1.00 0.00 C ATOM 1107 CG GLN A 79 20.500 7.834 10.083 1.00 0.00 C ATOM 1108 CD GLN A 79 20.957 9.239 9.677 1.00 0.00 C ATOM 1109 OE1 GLN A 79 21.965 9.398 9.018 1.00 0.00 O ATOM 1110 NE2 GLN A 79 20.247 10.272 10.043 1.00 0.00 N ATOM 0 H GLN A 79 19.588 4.502 8.442 1.00 0.00 H new ATOM 0 HA GLN A 79 18.547 6.225 10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.116 6.949 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.862 8.050 8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 79 19.998 7.870 11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.364 7.179 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 79 19.401 10.139 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 79 20.539 11.212 9.776 1.00 0.00 H new ATOM 1119 N PHE A 80 16.347 6.401 9.534 1.00 0.00 N ATOM 1120 CA PHE A 80 14.995 6.403 8.993 1.00 0.00 C ATOM 1121 C PHE A 80 14.767 7.656 8.140 1.00 0.00 C ATOM 1122 O PHE A 80 14.826 8.776 8.644 1.00 0.00 O ATOM 1123 CB PHE A 80 13.997 6.357 10.160 1.00 0.00 C ATOM 1124 CG PHE A 80 13.889 4.940 10.701 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.180 3.957 9.975 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.489 4.603 11.937 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.073 2.644 10.483 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.379 3.290 12.444 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.671 2.310 11.717 1.00 0.00 C ATOM 0 H PHE A 80 16.414 6.749 10.490 1.00 0.00 H new ATOM 0 HA PHE A 80 14.851 5.531 8.355 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.320 7.033 10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.019 6.702 9.826 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.720 4.210 9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.032 5.352 12.494 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.532 1.893 9.926 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.837 3.036 13.389 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.587 1.305 12.104 1.00 0.00 H new ATOM 1139 N VAL A 81 14.492 7.455 6.845 1.00 0.00 N ATOM 1140 CA VAL A 81 14.238 8.572 5.919 1.00 0.00 C ATOM 1141 C VAL A 81 12.758 8.606 5.561 1.00 0.00 C ATOM 1142 O VAL A 81 11.990 7.805 6.069 1.00 0.00 O ATOM 1143 CB VAL A 81 15.063 8.420 4.625 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.538 8.687 4.927 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.905 6.999 4.086 1.00 0.00 C ATOM 0 H VAL A 81 14.439 6.532 6.413 1.00 0.00 H new ATOM 0 HA VAL A 81 14.531 9.498 6.413 1.00 0.00 H new ATOM 0 HB VAL A 81 14.708 9.134 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.122 8.580 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.653 9.699 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.892 7.972 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.488 6.890 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.261 6.286 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.854 6.806 3.872 1.00 0.00 H new ATOM 1155 N SER A 82 12.356 9.535 4.693 1.00 0.00 N ATOM 1156 CA SER A 82 10.946 9.656 4.294 1.00 0.00 C ATOM 1157 C SER A 82 10.688 8.963 2.962 1.00 0.00 C ATOM 1158 O SER A 82 11.109 9.449 1.913 1.00 0.00 O ATOM 1159 CB SER A 82 10.579 11.131 4.156 1.00 0.00 C ATOM 1160 OG SER A 82 11.370 11.714 3.128 1.00 0.00 O ATOM 0 H SER A 82 12.979 10.212 4.253 1.00 0.00 H new ATOM 0 HA SER A 82 10.337 9.180 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.520 11.234 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.747 11.650 5.100 1.00 0.00 H new ATOM 0 HG SER A 82 11.315 11.162 2.320 1.00 0.00 H new ATOM 1166 N THR A 83 10.011 7.813 3.001 1.00 0.00 N ATOM 1167 CA THR A 83 9.721 7.056 1.781 1.00 0.00 C ATOM 1168 C THR A 83 8.264 7.199 1.353 1.00 0.00 C ATOM 1169 O THR A 83 7.354 7.232 2.183 1.00 0.00 O ATOM 1170 CB THR A 83 9.998 5.561 1.995 1.00 0.00 C ATOM 1171 OG1 THR A 83 8.954 5.005 2.785 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.345 5.357 2.713 1.00 0.00 C ATOM 0 H THR A 83 9.656 7.388 3.857 1.00 0.00 H new ATOM 0 HA THR A 83 10.368 7.464 1.005 1.00 0.00 H new ATOM 0 HB THR A 83 10.042 5.066 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.707 5.637 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.524 4.291 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.147 5.782 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.319 5.854 3.683 1.00 0.00 H new ATOM 1180 N LYS A 84 8.060 7.276 0.037 1.00 0.00 N ATOM 1181 CA LYS A 84 6.721 7.409 -0.539 1.00 0.00 C ATOM 1182 C LYS A 84 6.588 6.520 -1.771 1.00 0.00 C ATOM 1183 O LYS A 84 7.571 6.247 -2.460 1.00 0.00 O ATOM 1184 CB LYS A 84 6.465 8.874 -0.924 1.00 0.00 C ATOM 1185 CG LYS A 84 7.432 9.327 -2.060 1.00 0.00 C ATOM 1186 CD LYS A 84 6.705 9.343 -3.417 1.00 0.00 C ATOM 1187 CE LYS A 84 7.711 9.604 -4.542 1.00 0.00 C ATOM 1188 NZ LYS A 84 8.202 11.009 -4.457 1.00 0.00 N ATOM 0 H LYS A 84 8.810 7.248 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 84 5.985 7.097 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.432 8.993 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.599 9.513 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.822 10.321 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.287 8.653 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.201 8.390 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.936 10.115 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.548 8.910 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.242 9.430 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.764 11.232 -5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.391 11.657 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.795 11.119 -3.609 1.00 0.00 H new ATOM 1202 N ILE A 85 5.367 6.073 -2.047 1.00 0.00 N ATOM 1203 CA ILE A 85 5.118 5.219 -3.202 1.00 0.00 C ATOM 1204 C ILE A 85 3.629 5.228 -3.540 1.00 0.00 C ATOM 1205 O ILE A 85 2.781 5.236 -2.648 1.00 0.00 O ATOM 1206 CB ILE A 85 5.609 3.781 -2.927 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.576 2.955 -4.224 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.732 3.121 -1.862 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.374 1.652 -4.044 1.00 0.00 C ATOM 0 H ILE A 85 4.539 6.286 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 85 5.673 5.606 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 85 6.635 3.823 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.545 2.725 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.995 3.537 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.087 2.107 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.783 3.699 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.700 3.086 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.343 1.076 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.409 1.890 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.936 1.066 -3.236 1.00 0.00 H new ATOM 1221 N ASN A 86 3.317 5.247 -4.835 1.00 0.00 N ATOM 1222 CA ASN A 86 1.925 5.287 -5.290 1.00 0.00 C ATOM 1223 C ASN A 86 1.307 3.887 -5.284 1.00 0.00 C ATOM 1224 O ASN A 86 1.696 3.029 -6.074 1.00 0.00 O ATOM 1225 CB ASN A 86 1.879 5.908 -6.714 1.00 0.00 C ATOM 1226 CG ASN A 86 0.734 6.925 -6.831 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.441 6.624 -6.354 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.917 8.004 -7.359 1.00 0.00 N flip ATOM 0 H ASN A 86 4.006 5.235 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 86 1.339 5.902 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.829 6.396 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.748 5.119 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.836 8.240 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.151 8.674 -7.429 1.00 0.00 H new ATOM 1235 N LEU A 87 0.323 3.675 -4.408 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.355 2.382 -4.325 1.00 0.00 C ATOM 1237 C LEU A 87 -1.129 2.105 -5.609 1.00 0.00 C ATOM 1238 O LEU A 87 -1.322 0.954 -5.996 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.322 2.366 -3.137 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.584 2.539 -1.800 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.634 2.654 -0.677 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.350 1.334 -1.539 1.00 0.00 C ATOM 0 H LEU A 87 -0.019 4.376 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 87 0.400 1.608 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.055 3.164 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.873 1.426 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 87 0.030 3.439 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.130 2.778 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.274 3.516 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.242 1.750 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.865 1.472 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.240 0.418 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.084 1.262 -2.342 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.566 3.168 -6.268 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.317 3.029 -7.508 1.00 0.00 C ATOM 1256 C ASP A 88 -1.446 2.428 -8.610 1.00 0.00 C ATOM 1257 O ASP A 88 -1.943 2.041 -9.669 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.841 4.401 -7.946 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.677 5.299 -8.367 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.542 4.888 -8.196 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.942 6.384 -8.858 1.00 0.00 O ATOM 0 H ASP A 88 -1.415 4.131 -5.968 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.156 2.355 -7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.539 4.284 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.392 4.866 -7.129 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.144 2.368 -8.357 1.00 0.00 N ATOM 1267 CA ASP A 89 0.795 1.833 -9.338 1.00 0.00 C ATOM 1268 C ASP A 89 0.564 0.338 -9.581 1.00 0.00 C ATOM 1269 O ASP A 89 0.886 -0.174 -10.653 1.00 0.00 O ATOM 1270 CB ASP A 89 2.235 2.079 -8.855 1.00 0.00 C ATOM 1271 CG ASP A 89 3.209 2.053 -10.039 1.00 0.00 C ATOM 1272 OD1 ASP A 89 2.863 1.474 -11.055 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.281 2.622 -9.909 1.00 0.00 O ATOM 0 H ASP A 89 0.285 2.681 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 89 0.633 2.347 -10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.295 3.042 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.516 1.317 -8.128 1.00 0.00 H new ATOM 1278 N HIS A 90 0.002 -0.363 -8.590 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.262 -1.804 -8.732 1.00 0.00 C ATOM 1280 C HIS A 90 -1.516 -2.224 -7.966 1.00 0.00 C ATOM 1281 O HIS A 90 -2.275 -3.072 -8.437 1.00 0.00 O ATOM 1282 CB HIS A 90 0.919 -2.622 -8.216 1.00 0.00 C ATOM 1283 CG HIS A 90 2.152 -2.333 -9.029 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.458 -3.033 -10.184 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.174 -1.435 -8.853 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.623 -2.552 -10.653 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.102 -1.577 -9.878 1.00 0.00 N ATOM 0 H HIS A 90 -0.276 0.034 -7.693 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.412 -1.995 -9.795 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.103 -2.386 -7.168 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.683 -3.685 -8.267 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.901 -3.778 -10.603 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.246 -0.726 -8.042 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.111 -2.911 -11.547 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.729 -1.647 -6.785 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.905 -1.999 -5.988 1.00 0.00 C ATOM 1297 C ILE A 91 -4.169 -1.732 -6.796 1.00 0.00 C ATOM 1298 O ILE A 91 -4.428 -0.600 -7.205 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.969 -1.185 -4.676 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.638 -1.308 -3.890 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.152 -1.675 -3.821 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.151 -2.764 -3.818 1.00 0.00 C ATOM 0 H ILE A 91 -1.117 -0.948 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.829 -3.056 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.119 -0.133 -4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.875 -0.693 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.775 -0.920 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.195 -1.100 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.081 -1.542 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.018 -2.731 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.216 -2.808 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.902 -3.375 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.989 -3.144 -4.827 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.950 -2.791 -7.033 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.193 -2.690 -7.810 1.00 0.00 C ATOM 1316 C ALA A 92 -7.377 -3.184 -6.994 1.00 0.00 C ATOM 1317 O ALA A 92 -7.213 -3.712 -5.895 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.077 -3.529 -9.070 1.00 0.00 C ATOM 0 H ALA A 92 -4.744 -3.732 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.352 -1.644 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.000 -3.452 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.244 -3.167 -9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.904 -4.570 -8.799 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.573 -3.023 -7.556 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.806 -3.464 -6.903 1.00 0.00 C ATOM 1326 C ASN A 93 -10.414 -4.617 -7.690 1.00 0.00 C ATOM 1327 O ASN A 93 -10.814 -4.447 -8.842 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.804 -2.313 -6.853 1.00 0.00 C ATOM 1329 CG ASN A 93 -12.023 -2.728 -6.028 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.887 -3.347 -4.991 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.217 -2.413 -6.448 1.00 0.00 N ATOM 0 H ASN A 93 -8.716 -2.588 -8.467 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.576 -3.790 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.337 -1.432 -6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.111 -2.040 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.037 -2.686 -5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.331 -1.893 -7.318 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.475 -5.793 -7.067 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.030 -6.987 -7.714 1.00 0.00 C ATOM 1340 C ILE A 94 -12.322 -7.413 -7.024 1.00 0.00 C ATOM 1341 O ILE A 94 -12.298 -8.000 -5.942 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.023 -8.158 -7.640 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.622 -7.670 -8.076 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.496 -9.340 -8.521 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.653 -7.061 -9.485 1.00 0.00 C ATOM 0 H ILE A 94 -10.147 -5.947 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.232 -6.740 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.965 -8.512 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.256 -6.928 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.921 -8.505 -8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.774 -10.154 -8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.468 -9.688 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.579 -9.011 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.652 -6.728 -9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.995 -7.811 -10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.334 -6.210 -9.499 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.447 -7.120 -7.663 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.747 -7.482 -7.113 1.00 0.00 C ATOM 1359 C ASP A 95 -14.967 -6.805 -5.755 1.00 0.00 C ATOM 1360 O ASP A 95 -15.735 -7.292 -4.925 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.844 -9.027 -6.988 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.195 -9.534 -7.520 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -17.209 -9.178 -6.943 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.186 -10.263 -8.498 1.00 0.00 O ATOM 0 H ASP A 95 -13.486 -6.635 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.531 -7.134 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.031 -9.493 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.726 -9.320 -5.945 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.299 -5.670 -5.547 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.430 -4.911 -4.306 1.00 0.00 C ATOM 1371 C GLY A 96 -13.342 -5.222 -3.302 1.00 0.00 C ATOM 1372 O GLY A 96 -13.308 -4.641 -2.218 1.00 0.00 O ATOM 0 H GLY A 96 -13.660 -5.256 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.411 -3.846 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.401 -5.123 -3.858 1.00 0.00 H new ATOM 1376 N THR A 97 -12.451 -6.145 -3.652 1.00 0.00 N ATOM 1377 CA THR A 97 -11.356 -6.530 -2.757 1.00 0.00 C ATOM 1378 C THR A 97 -10.060 -5.864 -3.203 1.00 0.00 C ATOM 1379 O THR A 97 -9.873 -5.595 -4.386 1.00 0.00 O ATOM 1380 CB THR A 97 -11.163 -8.056 -2.761 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.874 -8.491 -4.080 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.444 -8.731 -2.271 1.00 0.00 C ATOM 0 H THR A 97 -12.462 -6.640 -4.544 1.00 0.00 H new ATOM 0 HA THR A 97 -11.611 -6.205 -1.748 1.00 0.00 H new ATOM 0 HB THR A 97 -10.337 -8.321 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.691 -8.462 -4.620 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.309 -9.813 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.668 -8.395 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.270 -8.467 -2.932 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.156 -5.608 -2.256 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.872 -4.978 -2.575 1.00 0.00 C ATOM 1392 C LEU A 98 -6.820 -6.040 -2.845 1.00 0.00 C ATOM 1393 O LEU A 98 -6.542 -6.875 -1.986 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.400 -4.114 -1.402 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.494 -3.113 -0.997 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -8.096 -2.414 0.315 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.684 -2.061 -2.109 1.00 0.00 C ATOM 0 H LEU A 98 -9.287 -5.825 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.009 -4.357 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.148 -4.749 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.493 -3.578 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.431 -3.650 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.873 -1.705 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.978 -3.158 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.155 -1.883 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.461 -1.356 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.748 -1.525 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.977 -2.558 -3.034 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.230 -5.998 -4.038 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.196 -6.962 -4.423 1.00 0.00 C ATOM 1411 C LYS A 99 -4.101 -6.266 -5.228 1.00 0.00 C ATOM 1412 O LYS A 99 -4.244 -5.113 -5.633 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.821 -8.092 -5.269 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.567 -9.128 -4.365 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.990 -9.368 -4.888 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.609 -10.574 -4.179 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.750 -10.280 -2.726 1.00 0.00 N ATOM 0 H LYS A 99 -6.449 -5.308 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.758 -7.387 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.518 -7.667 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.041 -8.597 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.016 -10.068 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.607 -8.763 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.603 -8.482 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.967 -9.540 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.584 -10.802 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.983 -11.454 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.098 -10.883 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.523 -9.280 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.727 -10.471 -2.426 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.008 -6.990 -5.456 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.871 -6.470 -6.217 1.00 0.00 C ATOM 1433 C TYR A 100 -1.918 -6.999 -7.647 1.00 0.00 C ATOM 1434 O TYR A 100 -2.150 -8.187 -7.872 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.571 -6.913 -5.540 1.00 0.00 C ATOM 1436 CG TYR A 100 0.624 -6.474 -6.357 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.084 -7.280 -7.421 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.294 -5.272 -6.043 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.215 -6.885 -8.168 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.419 -4.875 -6.796 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.878 -5.678 -7.859 1.00 0.00 C ATOM 1442 OH TYR A 100 4.024 -5.326 -8.542 1.00 0.00 O ATOM 0 H TYR A 100 -2.884 -7.946 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.916 -5.381 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.511 -6.487 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.564 -7.997 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.571 -8.199 -7.663 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.946 -4.657 -5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.573 -7.506 -8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.929 -3.954 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 100 4.353 -4.466 -8.207 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.689 -6.110 -8.613 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.698 -6.488 -10.031 1.00 0.00 C ATOM 1454 C GLU A 101 -0.263 -6.595 -10.546 1.00 0.00 C ATOM 1455 O GLU A 101 0.397 -5.571 -10.619 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.477 -5.432 -10.843 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.989 -5.728 -10.804 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.330 -6.855 -11.785 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.221 -6.628 -12.979 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.698 -7.923 -11.325 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.134 -7.689 -10.912 1.00 0.00 O ATOM 0 H GLU A 101 -1.495 -5.123 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.187 -7.456 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.284 -4.439 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.128 -5.428 -11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.286 -6.012 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.550 -4.830 -11.061 1.00 0.00 H new