USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 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 53 THR OG1 : rot 136:sc= 0.45 USER MOD Set 1.2: A 60 LYS NZ :NH3+ 178:sc= 0.192 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.277 X(o=0.28,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 20 SER OG : rot 113:sc= 1.86 USER MOD Single : A 22 GLN : amide:sc= 0.184 K(o=0.18,f=-4.4!) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0.493 (180deg=0.369) USER MOD Single : A 25 SER OG : rot 32:sc= 0.608 USER MOD Single : A 26 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.123 K(o=0.12,f=-0.52) USER MOD Single : A 30 HIS : no HD1:sc= -0.0355 X(o=-0.036,f=-0.35) USER MOD Single : A 32 THR OG1 : rot -5:sc= 1.06 USER MOD Single : A 35 SER OG : rot -28:sc= 1.26 USER MOD Single : A 37 SER OG : rot 62:sc= -0.224 USER MOD Single : A 42 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.867) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 27:sc= 0.696 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 89 ASN : amide:sc= 0.0274 X(o=0.027,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -9.520 -10.287 6.110 1.00 0.00 N ATOM 70 CA ASN A 10 -9.839 -10.772 4.729 1.00 0.00 C ATOM 71 C ASN A 10 -10.670 -9.819 3.781 1.00 0.00 C ATOM 72 O ASN A 10 -11.880 -9.977 3.594 1.00 0.00 O ATOM 73 CB ASN A 10 -10.380 -12.239 4.799 1.00 0.00 C ATOM 74 CG ASN A 10 -11.599 -12.598 5.650 1.00 0.00 C ATOM 75 OD1 ASN A 10 -11.507 -13.262 6.675 1.00 0.00 O ATOM 76 ND2 ASN A 10 -12.776 -12.218 5.249 1.00 0.00 N ATOM 0 HA ASN A 10 -8.887 -10.757 4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.606 -12.543 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.557 -12.865 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.605 -12.473 5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.871 -11.664 4.398 1.00 0.00 H new ATOM 77 N LEU A 11 -9.980 -8.866 3.131 1.00 0.00 N ATOM 78 CA LEU A 11 -10.584 -7.945 2.125 1.00 0.00 C ATOM 79 C LEU A 11 -9.769 -7.836 0.802 1.00 0.00 C ATOM 80 O LEU A 11 -8.537 -7.872 0.755 1.00 0.00 O ATOM 81 CB LEU A 11 -10.824 -6.541 2.764 1.00 0.00 C ATOM 82 CG LEU A 11 -12.244 -6.394 3.332 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.292 -5.303 4.413 1.00 0.00 C ATOM 84 CD2 LEU A 11 -13.283 -6.079 2.244 1.00 0.00 C ATOM 0 H LEU A 11 -8.984 -8.704 3.282 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.541 -8.380 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.098 -6.378 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.653 -5.769 2.014 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.499 -7.358 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.308 -5.218 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.615 -5.566 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.987 -4.350 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.269 -5.985 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.021 -5.143 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.297 -6.885 1.510 1.00 0.00 H new ATOM 85 N ASP A 12 -10.518 -7.656 -0.289 1.00 0.00 N ATOM 86 CA ASP A 12 -9.951 -7.523 -1.659 1.00 0.00 C ATOM 87 C ASP A 12 -9.408 -6.087 -1.973 1.00 0.00 C ATOM 88 O ASP A 12 -9.767 -5.102 -1.314 1.00 0.00 O ATOM 89 CB ASP A 12 -11.094 -7.870 -2.655 1.00 0.00 C ATOM 90 CG ASP A 12 -11.618 -9.306 -2.642 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.891 -10.293 -2.676 1.00 0.00 O ATOM 92 OD2 ASP A 12 -12.980 -9.358 -2.590 1.00 0.00 O ATOM 0 H ASP A 12 -11.536 -7.597 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.096 -8.194 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.932 -7.203 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.744 -7.647 -3.663 1.00 0.00 H new ATOM 93 N GLU A 13 -8.568 -5.955 -3.020 1.00 0.00 N ATOM 94 CA GLU A 13 -8.115 -4.616 -3.497 1.00 0.00 C ATOM 95 C GLU A 13 -9.300 -3.969 -4.314 1.00 0.00 C ATOM 96 O GLU A 13 -9.946 -4.600 -5.157 1.00 0.00 O ATOM 97 CB GLU A 13 -6.715 -4.726 -4.170 1.00 0.00 C ATOM 98 CG GLU A 13 -6.573 -4.666 -5.711 1.00 0.00 C ATOM 99 CD GLU A 13 -7.128 -5.859 -6.489 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.374 -6.961 -6.005 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.310 -5.564 -7.803 1.00 0.00 O ATOM 0 H GLU A 13 -8.190 -6.741 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.917 -3.905 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.098 -3.927 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.275 -5.668 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.072 -3.764 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.515 -4.562 -5.953 1.00 0.00 H new ATOM 102 N GLY A 14 -9.601 -2.709 -3.999 1.00 0.00 N ATOM 103 CA GLY A 14 -10.804 -1.990 -4.519 1.00 0.00 C ATOM 104 C GLY A 14 -11.988 -1.894 -3.506 1.00 0.00 C ATOM 105 O GLY A 14 -13.140 -1.760 -3.919 1.00 0.00 O ATOM 0 H GLY A 14 -9.027 -2.141 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.511 -0.982 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.153 -2.495 -5.420 1.00 0.00 H new ATOM 106 N GLU A 15 -11.704 -1.925 -2.192 1.00 0.00 N ATOM 107 CA GLU A 15 -12.707 -1.851 -1.099 1.00 0.00 C ATOM 108 C GLU A 15 -12.278 -0.743 -0.079 1.00 0.00 C ATOM 109 O GLU A 15 -11.093 -0.613 0.260 1.00 0.00 O ATOM 110 CB GLU A 15 -12.780 -3.239 -0.398 1.00 0.00 C ATOM 111 CG GLU A 15 -13.275 -4.443 -1.249 1.00 0.00 C ATOM 112 CD GLU A 15 -14.729 -4.411 -1.719 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.571 -3.601 -1.346 1.00 0.00 O ATOM 114 OE2 GLU A 15 -14.994 -5.411 -2.601 1.00 0.00 O ATOM 0 H GLU A 15 -10.748 -2.004 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.689 -1.596 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.786 -3.479 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.436 -3.146 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.636 -4.521 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.127 -5.353 -0.667 1.00 0.00 H new ATOM 115 N LEU A 16 -13.237 0.051 0.427 1.00 0.00 N ATOM 116 CA LEU A 16 -12.947 1.165 1.381 1.00 0.00 C ATOM 117 C LEU A 16 -12.457 0.637 2.780 1.00 0.00 C ATOM 118 O LEU A 16 -13.109 -0.185 3.432 1.00 0.00 O ATOM 119 CB LEU A 16 -14.206 2.074 1.503 1.00 0.00 C ATOM 120 CG LEU A 16 -14.397 3.155 0.401 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.825 2.583 -0.962 1.00 0.00 C ATOM 122 CD2 LEU A 16 -15.450 4.184 0.846 1.00 0.00 C ATOM 0 H LEU A 16 -14.226 -0.049 0.198 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.122 1.759 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.088 1.434 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.171 2.576 2.470 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.419 3.618 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.938 3.396 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.066 1.888 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.775 2.059 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.576 4.936 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.401 3.680 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.121 4.666 1.766 1.00 0.00 H new ATOM 123 N CYS A 17 -11.283 1.118 3.210 1.00 0.00 N ATOM 124 CA CYS A 17 -10.592 0.657 4.440 1.00 0.00 C ATOM 125 C CYS A 17 -10.119 1.832 5.353 1.00 0.00 C ATOM 126 O CYS A 17 -9.811 2.935 4.889 1.00 0.00 O ATOM 127 CB CYS A 17 -9.389 -0.186 3.948 1.00 0.00 C ATOM 128 SG CYS A 17 -8.443 0.689 2.670 1.00 0.00 S ATOM 0 H CYS A 17 -10.773 1.848 2.713 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.274 0.080 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.737 -0.418 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.747 -1.136 3.551 1.00 0.00 H new ATOM 129 N LEU A 18 -10.028 1.574 6.670 1.00 0.00 N ATOM 130 CA LEU A 18 -9.471 2.560 7.639 1.00 0.00 C ATOM 131 C LEU A 18 -7.911 2.433 7.652 1.00 0.00 C ATOM 132 O LEU A 18 -7.254 3.355 7.188 1.00 0.00 O ATOM 133 CB LEU A 18 -10.150 2.395 9.033 1.00 0.00 C ATOM 134 CG LEU A 18 -11.656 2.752 9.143 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.194 2.341 10.524 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.925 4.252 8.933 1.00 0.00 C ATOM 0 H LEU A 18 -10.329 0.697 7.095 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.697 3.582 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.026 1.359 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.605 3.012 9.748 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.167 2.204 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.252 2.595 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.070 1.266 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.643 2.870 11.301 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.994 4.446 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.389 4.827 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.583 4.548 7.941 1.00 0.00 H new ATOM 137 N ASN A 19 -7.305 1.400 8.265 1.00 0.00 N ATOM 138 CA ASN A 19 -5.827 1.153 8.182 1.00 0.00 C ATOM 139 C ASN A 19 -5.435 0.068 7.109 1.00 0.00 C ATOM 140 O ASN A 19 -6.284 -0.655 6.576 1.00 0.00 O ATOM 141 CB ASN A 19 -5.349 0.809 9.626 1.00 0.00 C ATOM 142 CG ASN A 19 -5.320 2.002 10.587 1.00 0.00 C ATOM 143 OD1 ASN A 19 -4.583 2.961 10.405 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.102 1.996 11.634 1.00 0.00 N ATOM 0 H ASN A 19 -7.805 0.713 8.828 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.313 2.044 7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.004 0.042 10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.349 0.378 9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.091 2.783 12.283 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.723 1.205 11.802 1.00 0.00 H new ATOM 145 N SER A 20 -4.122 -0.125 6.851 1.00 0.00 N ATOM 146 CA SER A 20 -3.620 -1.223 5.947 1.00 0.00 C ATOM 147 C SER A 20 -3.711 -2.693 6.504 1.00 0.00 C ATOM 148 O SER A 20 -3.539 -3.659 5.755 1.00 0.00 O ATOM 149 CB SER A 20 -2.153 -0.907 5.566 1.00 0.00 C ATOM 150 OG SER A 20 -2.072 0.223 4.699 1.00 0.00 O ATOM 0 H SER A 20 -3.382 0.454 7.247 1.00 0.00 H new ATOM 0 HA SER A 20 -4.294 -1.221 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.574 -0.716 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.707 -1.774 5.079 1.00 0.00 H new ATOM 0 HG SER A 20 -1.632 0.963 5.167 1.00 0.00 H new ATOM 151 N ALA A 21 -4.033 -2.868 7.792 1.00 0.00 N ATOM 152 CA ALA A 21 -4.235 -4.197 8.429 1.00 0.00 C ATOM 153 C ALA A 21 -5.591 -4.949 8.169 1.00 0.00 C ATOM 154 O ALA A 21 -5.810 -6.022 8.725 1.00 0.00 O ATOM 155 CB ALA A 21 -4.066 -3.873 9.922 1.00 0.00 C ATOM 0 H ALA A 21 -4.164 -2.089 8.437 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.532 -4.910 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.193 -4.783 10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.070 -3.466 10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.815 -3.140 10.222 1.00 0.00 H new ATOM 156 N GLN A 22 -6.475 -4.412 7.322 1.00 0.00 N ATOM 157 CA GLN A 22 -7.803 -5.018 6.999 1.00 0.00 C ATOM 158 C GLN A 22 -7.854 -5.859 5.672 1.00 0.00 C ATOM 159 O GLN A 22 -8.594 -6.843 5.605 1.00 0.00 O ATOM 160 CB GLN A 22 -8.814 -3.838 6.955 1.00 0.00 C ATOM 161 CG GLN A 22 -9.203 -3.258 8.343 1.00 0.00 C ATOM 162 CD GLN A 22 -10.011 -1.965 8.278 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.468 -0.869 8.289 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.315 -2.036 8.212 1.00 0.00 N ATOM 0 H GLN A 22 -6.302 -3.536 6.828 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.043 -5.754 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.390 -3.038 6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.720 -4.174 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.779 -4.006 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.294 -3.076 8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.776 -2.946 8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.871 -1.182 8.170 1.00 0.00 H new ATOM 165 N CYS A 23 -7.127 -5.469 4.613 1.00 0.00 N ATOM 166 CA CYS A 23 -7.074 -6.218 3.336 1.00 0.00 C ATOM 167 C CYS A 23 -6.093 -7.436 3.344 1.00 0.00 C ATOM 168 O CYS A 23 -5.120 -7.483 4.100 1.00 0.00 O ATOM 169 CB CYS A 23 -6.694 -5.164 2.283 1.00 0.00 C ATOM 170 SG CYS A 23 -7.991 -3.903 2.207 1.00 0.00 S ATOM 0 H CYS A 23 -6.556 -4.624 4.613 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.034 -6.690 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.739 -4.705 2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.571 -5.635 1.308 1.00 0.00 H new ATOM 171 N LYS A 24 -6.345 -8.421 2.466 1.00 0.00 N ATOM 172 CA LYS A 24 -5.421 -9.583 2.235 1.00 0.00 C ATOM 173 C LYS A 24 -4.046 -9.075 1.670 1.00 0.00 C ATOM 174 O LYS A 24 -2.983 -9.417 2.193 1.00 0.00 O ATOM 175 CB LYS A 24 -6.146 -10.614 1.330 1.00 0.00 C ATOM 176 CG LYS A 24 -7.412 -11.238 1.957 1.00 0.00 C ATOM 177 CD LYS A 24 -8.091 -12.364 1.164 1.00 0.00 C ATOM 178 CE LYS A 24 -8.767 -11.958 -0.158 1.00 0.00 C ATOM 179 NZ LYS A 24 -10.061 -11.287 0.080 1.00 0.00 N ATOM 0 H LYS A 24 -7.187 -8.450 1.891 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.177 -10.093 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.421 -10.127 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.448 -11.413 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.149 -11.626 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.142 -10.443 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.344 -13.127 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.842 -12.828 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.108 -11.293 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.923 -12.843 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.409 -10.878 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.751 -11.979 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.936 -10.531 0.783 1.00 0.00 H new ATOM 180 N SER A 25 -4.074 -8.248 0.604 1.00 0.00 N ATOM 181 CA SER A 25 -2.882 -7.496 0.137 1.00 0.00 C ATOM 182 C SER A 25 -2.867 -6.240 1.085 1.00 0.00 C ATOM 183 O SER A 25 -3.590 -5.266 0.844 1.00 0.00 O ATOM 184 CB SER A 25 -3.010 -7.170 -1.373 1.00 0.00 C ATOM 185 OG SER A 25 -4.140 -6.342 -1.671 1.00 0.00 O ATOM 0 H SER A 25 -4.911 -8.081 0.046 1.00 0.00 H new ATOM 0 HA SER A 25 -1.938 -8.037 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.101 -6.671 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.090 -8.101 -1.935 1.00 0.00 H new ATOM 0 HG SER A 25 -4.314 -5.742 -0.916 1.00 0.00 H new ATOM 186 N ASN A 26 -2.059 -6.284 2.161 1.00 0.00 N ATOM 187 CA ASN A 26 -2.076 -5.259 3.253 1.00 0.00 C ATOM 188 C ASN A 26 -1.506 -3.855 2.863 1.00 0.00 C ATOM 189 O ASN A 26 -0.376 -3.450 3.157 1.00 0.00 O ATOM 190 CB ASN A 26 -1.295 -5.854 4.463 1.00 0.00 C ATOM 191 CG ASN A 26 -1.943 -7.035 5.183 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.608 -8.191 4.959 1.00 0.00 O ATOM 193 ND2 ASN A 26 -2.882 -6.790 6.057 1.00 0.00 N ATOM 0 H ASN A 26 -1.373 -7.024 2.309 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.120 -5.058 3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.311 -6.167 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.136 -5.058 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.333 -7.560 6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.164 -5.828 6.247 1.00 0.00 H new ATOM 194 N CYS A 27 -2.396 -3.115 2.200 1.00 0.00 N ATOM 195 CA CYS A 27 -2.111 -1.780 1.645 1.00 0.00 C ATOM 196 C CYS A 27 -3.429 -0.979 1.434 1.00 0.00 C ATOM 197 O CYS A 27 -4.083 -1.091 0.391 1.00 0.00 O ATOM 198 CB CYS A 27 -1.357 -1.970 0.309 1.00 0.00 C ATOM 199 SG CYS A 27 -1.036 -0.371 -0.458 1.00 0.00 S ATOM 0 H CYS A 27 -3.352 -3.426 2.028 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.496 -1.207 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.417 -2.492 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.946 -2.593 -0.364 1.00 0.00 H new ATOM 200 N CYS A 28 -3.834 -0.169 2.427 1.00 0.00 N ATOM 201 CA CYS A 28 -4.970 0.776 2.271 1.00 0.00 C ATOM 202 C CYS A 28 -4.372 2.002 1.514 1.00 0.00 C ATOM 203 O CYS A 28 -3.464 2.668 2.026 1.00 0.00 O ATOM 204 CB CYS A 28 -5.553 1.113 3.655 1.00 0.00 C ATOM 205 SG CYS A 28 -7.127 1.965 3.474 1.00 0.00 S ATOM 0 H CYS A 28 -3.397 -0.144 3.348 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.810 0.373 1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.690 0.199 4.233 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.854 1.739 4.210 1.00 0.00 H new ATOM 206 N GLN A 29 -4.810 2.255 0.276 1.00 0.00 N ATOM 207 CA GLN A 29 -4.179 3.289 -0.580 1.00 0.00 C ATOM 208 C GLN A 29 -4.841 4.695 -0.463 1.00 0.00 C ATOM 209 O GLN A 29 -5.995 4.915 -0.841 1.00 0.00 O ATOM 210 CB GLN A 29 -4.204 2.667 -2.000 1.00 0.00 C ATOM 211 CG GLN A 29 -3.648 3.487 -3.176 1.00 0.00 C ATOM 212 CD GLN A 29 -2.147 3.728 -3.184 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.322 3.067 -2.564 1.00 0.00 O ATOM 214 NE2 GLN A 29 -1.780 4.711 -3.943 1.00 0.00 N ATOM 0 H GLN A 29 -5.592 1.767 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.160 3.520 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.650 1.729 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.239 2.416 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.917 2.981 -4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.149 4.455 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.480 5.251 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.791 4.945 -4.032 1.00 0.00 H new ATOM 215 N HIS A 30 -4.046 5.647 0.042 1.00 0.00 N ATOM 216 CA HIS A 30 -4.426 7.070 0.180 1.00 0.00 C ATOM 217 C HIS A 30 -4.243 7.800 -1.189 1.00 0.00 C ATOM 218 O HIS A 30 -3.125 7.905 -1.710 1.00 0.00 O ATOM 219 CB HIS A 30 -3.491 7.698 1.257 1.00 0.00 C ATOM 220 CG HIS A 30 -4.061 8.916 1.967 1.00 0.00 C ATOM 221 ND1 HIS A 30 -4.025 10.202 1.453 1.00 0.00 N ATOM 222 CD2 HIS A 30 -4.592 8.914 3.267 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.534 10.877 2.532 1.00 0.00 C ATOM 224 NE2 HIS A 30 -4.904 10.198 3.655 1.00 0.00 N ATOM 0 H HIS A 30 -3.101 5.452 0.374 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.470 7.168 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.257 6.938 2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.551 7.979 0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.735 8.033 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.642 11.951 2.492 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.298 10.542 4.531 1.00 0.00 H new ATOM 225 N ASP A 31 -5.335 8.311 -1.762 1.00 0.00 N ATOM 226 CA ASP A 31 -5.300 9.059 -3.052 1.00 0.00 C ATOM 227 C ASP A 31 -4.670 10.509 -3.022 1.00 0.00 C ATOM 228 O ASP A 31 -5.257 11.500 -3.464 1.00 0.00 O ATOM 229 CB ASP A 31 -6.731 8.976 -3.657 1.00 0.00 C ATOM 230 CG ASP A 31 -7.847 9.825 -3.047 1.00 0.00 C ATOM 231 OD1 ASP A 31 -7.841 10.281 -1.910 1.00 0.00 O ATOM 232 OD2 ASP A 31 -8.866 10.025 -3.925 1.00 0.00 O ATOM 0 H ASP A 31 -6.269 8.227 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.576 8.578 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.657 9.239 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.048 7.934 -3.610 1.00 0.00 H new ATOM 233 N THR A 32 -3.410 10.594 -2.566 1.00 0.00 N ATOM 234 CA THR A 32 -2.550 11.823 -2.573 1.00 0.00 C ATOM 235 C THR A 32 -3.106 13.028 -1.737 1.00 0.00 C ATOM 236 O THR A 32 -3.524 14.055 -2.277 1.00 0.00 O ATOM 237 CB THR A 32 -2.131 12.193 -4.042 1.00 0.00 C ATOM 238 OG1 THR A 32 -3.248 12.602 -4.825 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.461 11.034 -4.804 1.00 0.00 C ATOM 0 H THR A 32 -2.930 9.788 -2.165 1.00 0.00 H new ATOM 0 HA THR A 32 -1.641 11.570 -2.027 1.00 0.00 H new ATOM 0 HB THR A 32 -1.416 13.006 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.070 12.497 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.199 11.363 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.558 10.726 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.151 10.192 -4.865 1.00 0.00 H new ATOM 240 N ILE A 33 -3.117 12.883 -0.396 1.00 0.00 N ATOM 241 CA ILE A 33 -3.627 13.910 0.586 1.00 0.00 C ATOM 242 C ILE A 33 -5.207 14.077 0.575 1.00 0.00 C ATOM 243 O ILE A 33 -5.770 14.299 1.650 1.00 0.00 O ATOM 244 CB ILE A 33 -2.788 15.250 0.577 1.00 0.00 C ATOM 245 CG1 ILE A 33 -1.315 15.093 1.087 1.00 0.00 C ATOM 246 CG2 ILE A 33 -3.400 16.355 1.480 1.00 0.00 C ATOM 247 CD1 ILE A 33 -0.311 14.493 0.094 1.00 0.00 C ATOM 0 H ILE A 33 -2.769 12.040 0.061 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.438 13.502 1.579 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.806 15.523 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.951 16.075 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.327 14.469 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.779 17.250 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.406 16.592 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.445 16.000 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.672 14.435 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.636 13.493 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.255 15.124 -0.793 1.00 0.00 H new ATOM 248 N LEU A 34 -5.935 13.922 -0.552 1.00 0.00 N ATOM 249 CA LEU A 34 -7.439 13.951 -0.609 1.00 0.00 C ATOM 250 C LEU A 34 -8.231 12.984 0.368 1.00 0.00 C ATOM 251 O LEU A 34 -9.404 13.231 0.658 1.00 0.00 O ATOM 252 CB LEU A 34 -7.769 13.743 -2.119 1.00 0.00 C ATOM 253 CG LEU A 34 -9.251 13.839 -2.570 1.00 0.00 C ATOM 254 CD1 LEU A 34 -9.880 15.212 -2.274 1.00 0.00 C ATOM 255 CD2 LEU A 34 -9.358 13.568 -4.081 1.00 0.00 C ATOM 0 H LEU A 34 -5.505 13.771 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.799 14.902 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.200 14.479 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.397 12.760 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.797 13.089 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.916 15.218 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.847 15.404 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.323 15.988 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.401 13.637 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.769 14.306 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.980 12.569 -4.299 1.00 0.00 H new ATOM 256 N SER A 35 -7.600 11.910 0.878 1.00 0.00 N ATOM 257 CA SER A 35 -8.122 10.977 1.930 1.00 0.00 C ATOM 258 C SER A 35 -9.168 9.867 1.596 1.00 0.00 C ATOM 259 O SER A 35 -9.504 9.097 2.505 1.00 0.00 O ATOM 260 CB SER A 35 -8.492 11.764 3.224 1.00 0.00 C ATOM 261 OG SER A 35 -9.746 12.436 3.107 1.00 0.00 O ATOM 0 H SER A 35 -6.667 11.644 0.562 1.00 0.00 H new ATOM 0 HA SER A 35 -7.254 10.331 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.528 11.075 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.710 12.492 3.440 1.00 0.00 H new ATOM 0 HG SER A 35 -9.917 12.648 2.166 1.00 0.00 H new ATOM 262 N LEU A 36 -9.626 9.680 0.344 1.00 0.00 N ATOM 263 CA LEU A 36 -10.493 8.517 -0.024 1.00 0.00 C ATOM 264 C LEU A 36 -9.564 7.249 -0.049 1.00 0.00 C ATOM 265 O LEU A 36 -8.855 6.975 -1.025 1.00 0.00 O ATOM 266 CB LEU A 36 -11.208 8.825 -1.367 1.00 0.00 C ATOM 267 CG LEU A 36 -12.183 7.741 -1.900 1.00 0.00 C ATOM 268 CD1 LEU A 36 -13.416 7.548 -1.001 1.00 0.00 C ATOM 269 CD2 LEU A 36 -12.650 8.107 -3.318 1.00 0.00 C ATOM 0 H LEU A 36 -9.419 10.308 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.293 8.327 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.763 9.756 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.446 9.001 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.630 6.802 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.059 6.778 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.096 7.244 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.968 8.486 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.334 7.341 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.161 9.069 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.787 8.170 -3.980 1.00 0.00 H new ATOM 270 N SER A 37 -9.559 6.513 1.073 1.00 0.00 N ATOM 271 CA SER A 37 -8.613 5.391 1.293 1.00 0.00 C ATOM 272 C SER A 37 -9.266 4.014 0.960 1.00 0.00 C ATOM 273 O SER A 37 -10.140 3.494 1.661 1.00 0.00 O ATOM 274 CB SER A 37 -8.088 5.517 2.739 1.00 0.00 C ATOM 275 OG SER A 37 -7.531 6.813 3.003 1.00 0.00 O ATOM 0 H SER A 37 -10.201 6.671 1.850 1.00 0.00 H new ATOM 0 HA SER A 37 -7.764 5.444 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.902 5.324 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.329 4.755 2.916 1.00 0.00 H new ATOM 0 HG SER A 37 -8.228 7.495 2.903 1.00 0.00 H new ATOM 276 N ARG A 38 -8.825 3.449 -0.166 1.00 0.00 N ATOM 277 CA ARG A 38 -9.385 2.200 -0.758 1.00 0.00 C ATOM 278 C ARG A 38 -8.212 1.232 -1.103 1.00 0.00 C ATOM 279 O ARG A 38 -7.233 1.685 -1.691 1.00 0.00 O ATOM 280 CB ARG A 38 -10.188 2.700 -1.994 1.00 0.00 C ATOM 281 CG ARG A 38 -11.049 1.654 -2.726 1.00 0.00 C ATOM 282 CD ARG A 38 -11.777 2.274 -3.931 1.00 0.00 C ATOM 283 NE ARG A 38 -12.707 1.279 -4.514 1.00 0.00 N ATOM 284 CZ ARG A 38 -13.448 1.465 -5.597 1.00 0.00 C ATOM 285 NH1 ARG A 38 -13.454 2.563 -6.308 1.00 0.00 N ATOM 286 NH2 ARG A 38 -14.216 0.490 -5.970 1.00 0.00 N ATOM 0 H ARG A 38 -8.058 3.841 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.037 1.627 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.840 3.512 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.483 3.122 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.418 0.832 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.779 1.233 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.327 3.162 -3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.054 2.594 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.783 0.377 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.861 3.348 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.052 2.634 -7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.234 -0.379 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.803 0.591 -6.798 1.00 0.00 H new ATOM 287 N CYS A 39 -8.230 -0.073 -0.767 1.00 0.00 N ATOM 288 CA CYS A 39 -7.045 -0.954 -1.000 1.00 0.00 C ATOM 289 C CYS A 39 -6.600 -1.148 -2.490 1.00 0.00 C ATOM 290 O CYS A 39 -7.378 -1.089 -3.443 1.00 0.00 O ATOM 291 CB CYS A 39 -7.295 -2.316 -0.319 1.00 0.00 C ATOM 292 SG CYS A 39 -7.271 -2.191 1.471 1.00 0.00 S ATOM 0 H CYS A 39 -9.029 -0.542 -0.342 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.200 -0.429 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.259 -2.710 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.535 -3.027 -0.642 1.00 0.00 H new ATOM 293 N ALA A 40 -5.294 -1.374 -2.645 1.00 0.00 N ATOM 294 CA ALA A 40 -4.613 -1.478 -3.958 1.00 0.00 C ATOM 295 C ALA A 40 -3.657 -2.715 -4.080 1.00 0.00 C ATOM 296 O ALA A 40 -3.439 -3.488 -3.141 1.00 0.00 O ATOM 297 CB ALA A 40 -3.908 -0.119 -4.104 1.00 0.00 C ATOM 0 H ALA A 40 -4.660 -1.493 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.310 -1.667 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.369 -0.089 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.649 0.680 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.205 0.017 -3.282 1.00 0.00 H new ATOM 298 N LEU A 41 -3.130 -2.921 -5.295 1.00 0.00 N ATOM 299 CA LEU A 41 -2.292 -4.106 -5.632 1.00 0.00 C ATOM 300 C LEU A 41 -0.775 -3.920 -5.279 1.00 0.00 C ATOM 301 O LEU A 41 -0.206 -2.830 -5.391 1.00 0.00 O ATOM 302 CB LEU A 41 -2.527 -4.372 -7.152 1.00 0.00 C ATOM 303 CG LEU A 41 -1.982 -5.704 -7.735 1.00 0.00 C ATOM 304 CD1 LEU A 41 -2.687 -6.942 -7.150 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.155 -5.716 -9.263 1.00 0.00 C ATOM 0 H LEU A 41 -3.265 -2.280 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.586 -4.965 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.600 -4.336 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.079 -3.551 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.928 -5.757 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.266 -7.844 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.542 -6.967 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.753 -6.892 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.771 -6.653 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.212 -5.622 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.605 -4.882 -9.698 1.00 0.00 H new ATOM 306 N LYS A 42 -0.123 -5.023 -4.880 1.00 0.00 N ATOM 307 CA LYS A 42 1.343 -5.058 -4.596 1.00 0.00 C ATOM 308 C LYS A 42 2.242 -4.917 -5.884 1.00 0.00 C ATOM 309 O LYS A 42 1.925 -5.432 -6.961 1.00 0.00 O ATOM 310 CB LYS A 42 1.606 -6.340 -3.753 1.00 0.00 C ATOM 311 CG LYS A 42 1.437 -7.719 -4.439 1.00 0.00 C ATOM 312 CD LYS A 42 1.283 -8.855 -3.409 1.00 0.00 C ATOM 313 CE LYS A 42 1.177 -10.229 -4.082 1.00 0.00 C ATOM 314 NZ LYS A 42 0.850 -11.249 -3.069 1.00 0.00 N ATOM 0 H LYS A 42 -0.586 -5.921 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 42 1.642 -4.181 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.625 -6.282 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.939 -6.314 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.563 -7.697 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.301 -7.918 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.136 -8.848 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.394 -8.678 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.408 -10.209 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.117 -10.478 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.339 -12.137 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.157 -10.919 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.177 -11.412 -3.059 1.00 0.00 H new ATOM 315 N ALA A 43 3.378 -4.214 -5.755 1.00 0.00 N ATOM 316 CA ALA A 43 4.258 -3.864 -6.898 1.00 0.00 C ATOM 317 C ALA A 43 5.232 -4.973 -7.459 1.00 0.00 C ATOM 318 O ALA A 43 5.438 -6.065 -6.913 1.00 0.00 O ATOM 319 CB ALA A 43 4.983 -2.590 -6.387 1.00 0.00 C ATOM 0 H ALA A 43 3.719 -3.869 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 43 3.663 -3.722 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.670 -2.231 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.247 -1.816 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.541 -2.827 -5.481 1.00 0.00 H new ATOM 320 N ARG A 44 5.814 -4.628 -8.617 1.00 0.00 N ATOM 321 CA ARG A 44 6.754 -5.480 -9.401 1.00 0.00 C ATOM 322 C ARG A 44 8.208 -4.903 -9.427 1.00 0.00 C ATOM 323 O ARG A 44 8.491 -3.803 -8.954 1.00 0.00 O ATOM 324 CB ARG A 44 6.140 -5.610 -10.833 1.00 0.00 C ATOM 325 CG ARG A 44 5.195 -6.823 -11.003 1.00 0.00 C ATOM 326 CD ARG A 44 4.406 -6.834 -12.325 1.00 0.00 C ATOM 327 NE ARG A 44 5.284 -7.137 -13.487 1.00 0.00 N ATOM 328 CZ ARG A 44 4.956 -6.952 -14.761 1.00 0.00 C ATOM 329 NH1 ARG A 44 3.812 -6.463 -15.164 1.00 0.00 N ATOM 330 NH2 ARG A 44 5.826 -7.278 -15.665 1.00 0.00 N ATOM 0 H ARG A 44 5.646 -3.723 -9.057 1.00 0.00 H new ATOM 0 HA ARG A 44 6.861 -6.460 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.590 -4.698 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.949 -5.688 -11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.783 -7.738 -10.937 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.489 -6.837 -10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.610 -7.576 -12.267 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.929 -5.865 -12.472 1.00 0.00 H new ATOM 0 HE ARG A 44 6.210 -7.516 -13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.103 -6.196 -14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.629 -6.349 -16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.729 -7.663 -15.388 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.607 -7.149 -16.653 1.00 0.00 H new ATOM 331 N GLU A 45 9.141 -5.676 -10.004 1.00 0.00 N ATOM 332 CA GLU A 45 10.579 -5.297 -10.113 1.00 0.00 C ATOM 333 C GLU A 45 10.816 -4.033 -11.006 1.00 0.00 C ATOM 334 O GLU A 45 10.240 -3.876 -12.085 1.00 0.00 O ATOM 335 CB GLU A 45 11.351 -6.541 -10.637 1.00 0.00 C ATOM 336 CG GLU A 45 12.880 -6.483 -10.381 1.00 0.00 C ATOM 337 CD GLU A 45 13.666 -7.616 -11.028 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.636 -8.758 -10.291 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.261 -7.513 -12.094 1.00 0.00 O ATOM 0 H GLU A 45 8.930 -6.586 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 45 10.952 -5.006 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.946 -7.435 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.175 -6.642 -11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.263 -5.532 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.058 -6.501 -9.306 1.00 0.00 H new ATOM 340 N ASN A 46 11.694 -3.150 -10.514 1.00 0.00 N ATOM 341 CA ASN A 46 11.979 -1.796 -11.107 1.00 0.00 C ATOM 342 C ASN A 46 10.806 -0.753 -10.928 1.00 0.00 C ATOM 343 O ASN A 46 10.755 0.258 -11.633 1.00 0.00 O ATOM 344 CB ASN A 46 12.513 -1.883 -12.572 1.00 0.00 C ATOM 345 CG ASN A 46 13.833 -2.634 -12.739 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.904 -2.147 -12.399 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.807 -3.836 -13.253 1.00 0.00 N ATOM 0 H ASN A 46 12.247 -3.340 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 46 12.795 -1.388 -10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.757 -2.368 -13.189 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.638 -0.871 -12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.674 -4.360 -13.368 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.919 -4.249 -13.539 1.00 0.00 H new ATOM 348 N SER A 47 9.929 -0.942 -9.923 1.00 0.00 N ATOM 349 CA SER A 47 8.854 0.013 -9.565 1.00 0.00 C ATOM 350 C SER A 47 9.008 0.468 -8.083 1.00 0.00 C ATOM 351 O SER A 47 9.447 -0.277 -7.200 1.00 0.00 O ATOM 352 CB SER A 47 7.489 -0.676 -9.809 1.00 0.00 C ATOM 353 OG SER A 47 6.395 0.197 -9.507 1.00 0.00 O ATOM 0 H SER A 47 9.945 -1.770 -9.328 1.00 0.00 H new ATOM 0 HA SER A 47 8.918 0.908 -10.184 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.423 -0.996 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.419 -1.574 -9.194 1.00 0.00 H new ATOM 0 HG SER A 47 5.549 -0.269 -9.674 1.00 0.00 H new ATOM 354 N GLU A 48 8.599 1.710 -7.804 1.00 0.00 N ATOM 355 CA GLU A 48 8.566 2.269 -6.438 1.00 0.00 C ATOM 356 C GLU A 48 7.487 1.562 -5.533 1.00 0.00 C ATOM 357 O GLU A 48 6.335 1.316 -5.904 1.00 0.00 O ATOM 358 CB GLU A 48 8.364 3.804 -6.513 1.00 0.00 C ATOM 359 CG GLU A 48 7.043 4.283 -7.158 1.00 0.00 C ATOM 360 CD GLU A 48 6.766 5.764 -6.942 1.00 0.00 C ATOM 361 OE1 GLU A 48 6.227 6.213 -5.935 1.00 0.00 O ATOM 362 OE2 GLU A 48 7.211 6.530 -7.974 1.00 0.00 O ATOM 0 H GLU A 48 8.279 2.363 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 48 9.523 2.072 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.419 4.208 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.195 4.233 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.075 4.080 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.216 3.703 -6.748 1.00 0.00 H new ATOM 363 N CYS A 49 7.951 1.236 -4.343 1.00 0.00 N ATOM 364 CA CYS A 49 7.217 0.469 -3.312 1.00 0.00 C ATOM 365 C CYS A 49 7.401 1.058 -1.889 1.00 0.00 C ATOM 366 O CYS A 49 8.390 1.734 -1.572 1.00 0.00 O ATOM 367 CB CYS A 49 7.782 -0.965 -3.382 1.00 0.00 C ATOM 368 SG CYS A 49 9.582 -0.953 -3.165 1.00 0.00 S ATOM 0 H CYS A 49 8.888 1.502 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 49 6.145 0.503 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.321 -1.581 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.529 -1.415 -4.342 1.00 0.00 H new ATOM 369 N SER A 50 6.436 0.767 -1.004 1.00 0.00 N ATOM 370 CA SER A 50 6.569 1.117 0.427 1.00 0.00 C ATOM 371 C SER A 50 7.428 0.032 1.119 1.00 0.00 C ATOM 372 O SER A 50 7.022 -1.135 1.191 1.00 0.00 O ATOM 373 CB SER A 50 5.192 1.211 1.133 1.00 0.00 C ATOM 374 OG SER A 50 4.503 -0.040 1.190 1.00 0.00 O ATOM 0 H SER A 50 5.564 0.296 -1.245 1.00 0.00 H new ATOM 0 HA SER A 50 7.041 2.097 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.335 1.586 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.571 1.937 0.609 1.00 0.00 H new ATOM 0 HG SER A 50 5.153 -0.773 1.173 1.00 0.00 H new ATOM 375 N ALA A 51 8.590 0.417 1.657 1.00 0.00 N ATOM 376 CA ALA A 51 9.396 -0.520 2.484 1.00 0.00 C ATOM 377 C ALA A 51 8.659 -0.713 3.872 1.00 0.00 C ATOM 378 O ALA A 51 8.286 -1.812 4.282 1.00 0.00 O ATOM 379 CB ALA A 51 10.799 0.113 2.605 1.00 0.00 C ATOM 0 H ALA A 51 8.996 1.346 1.545 1.00 0.00 H new ATOM 0 HA ALA A 51 9.503 -1.515 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.439 -0.534 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.232 0.231 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.718 1.089 3.084 1.00 0.00 H new ATOM 380 N PHE A 52 8.414 0.427 4.524 1.00 0.00 N ATOM 381 CA PHE A 52 7.574 0.596 5.716 1.00 0.00 C ATOM 382 C PHE A 52 7.156 2.108 5.603 1.00 0.00 C ATOM 383 O PHE A 52 8.023 2.983 5.461 1.00 0.00 O ATOM 384 CB PHE A 52 8.285 0.213 7.062 1.00 0.00 C ATOM 385 CG PHE A 52 8.886 1.369 7.893 1.00 0.00 C ATOM 386 CD1 PHE A 52 10.090 1.941 7.473 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.072 2.069 8.796 1.00 0.00 C ATOM 388 CE1 PHE A 52 10.496 3.172 7.975 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.483 3.299 9.300 1.00 0.00 C ATOM 390 CZ PHE A 52 9.702 3.843 8.902 1.00 0.00 C ATOM 0 H PHE A 52 8.821 1.310 4.216 1.00 0.00 H new ATOM 0 HA PHE A 52 6.720 -0.081 5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.565 -0.314 7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.085 -0.491 6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.708 1.424 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.124 1.652 9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.428 3.608 7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.857 3.832 10.000 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.032 4.786 9.313 1.00 0.00 H new ATOM 391 N THR A 53 5.871 2.462 5.664 1.00 0.00 N ATOM 392 CA THR A 53 5.491 3.898 5.753 1.00 0.00 C ATOM 393 C THR A 53 5.470 4.249 7.281 1.00 0.00 C ATOM 394 O THR A 53 6.298 5.024 7.763 1.00 0.00 O ATOM 395 CB THR A 53 4.166 4.172 4.996 1.00 0.00 C ATOM 396 OG1 THR A 53 4.121 3.558 3.714 1.00 0.00 O ATOM 397 CG2 THR A 53 3.992 5.654 4.734 1.00 0.00 C ATOM 0 H THR A 53 5.088 1.808 5.655 1.00 0.00 H new ATOM 0 HA THR A 53 6.205 4.555 5.256 1.00 0.00 H new ATOM 0 HB THR A 53 3.387 3.765 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.245 3.139 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.056 5.822 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.972 6.191 5.682 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.823 6.017 4.129 1.00 0.00 H new ATOM 398 N LEU A 54 4.476 3.714 8.008 1.00 0.00 N ATOM 399 CA LEU A 54 4.364 3.809 9.483 1.00 0.00 C ATOM 400 C LEU A 54 3.574 2.583 10.033 1.00 0.00 C ATOM 401 O LEU A 54 4.124 1.677 10.660 1.00 0.00 O ATOM 402 CB LEU A 54 3.890 5.231 9.920 1.00 0.00 C ATOM 403 CG LEU A 54 2.460 5.772 9.633 1.00 0.00 C ATOM 404 CD1 LEU A 54 2.408 7.226 10.117 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.050 5.728 8.150 1.00 0.00 C ATOM 0 H LEU A 54 3.709 3.192 7.584 1.00 0.00 H new ATOM 0 HA LEU A 54 5.339 3.729 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.031 5.286 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.585 5.940 9.471 1.00 0.00 H new ATOM 0 HG LEU A 54 1.758 5.124 10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.416 7.636 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.620 7.262 11.186 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.151 7.815 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.040 6.123 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.742 6.332 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.077 4.698 7.795 1.00 0.00 H new ATOM 406 N TYR A 55 2.260 2.596 9.785 1.00 0.00 N ATOM 407 CA TYR A 55 1.279 1.613 10.317 1.00 0.00 C ATOM 408 C TYR A 55 -0.094 1.595 9.537 1.00 0.00 C ATOM 409 O TYR A 55 -0.665 0.524 9.309 1.00 0.00 O ATOM 410 CB TYR A 55 1.154 1.930 11.855 1.00 0.00 C ATOM 411 CG TYR A 55 -0.127 1.485 12.561 1.00 0.00 C ATOM 412 CD1 TYR A 55 -0.328 0.143 12.881 1.00 0.00 C ATOM 413 CD2 TYR A 55 -1.170 2.403 12.716 1.00 0.00 C ATOM 414 CE1 TYR A 55 -1.573 -0.283 13.339 1.00 0.00 C ATOM 415 CE2 TYR A 55 -2.415 1.975 13.167 1.00 0.00 C ATOM 416 CZ TYR A 55 -2.618 0.632 13.478 1.00 0.00 C ATOM 417 OH TYR A 55 -3.849 0.207 13.898 1.00 0.00 O ATOM 0 H TYR A 55 1.826 3.305 9.194 1.00 0.00 H new ATOM 0 HA TYR A 55 1.626 0.591 10.167 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.999 1.466 12.365 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.255 3.007 11.987 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.480 -0.565 12.774 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.009 3.446 12.485 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.730 -1.322 13.587 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.223 2.683 13.276 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.461 0.971 13.942 1.00 0.00 H new ATOM 418 N GLY A 56 -0.648 2.773 9.206 1.00 0.00 N ATOM 419 CA GLY A 56 -2.005 2.890 8.614 1.00 0.00 C ATOM 420 C GLY A 56 -2.089 3.011 7.088 1.00 0.00 C ATOM 421 O GLY A 56 -1.685 2.102 6.369 1.00 0.00 O ATOM 0 H GLY A 56 -0.178 3.669 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.584 2.017 8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.491 3.762 9.051 1.00 0.00 H new ATOM 422 N VAL A 57 -2.667 4.105 6.595 1.00 0.00 N ATOM 423 CA VAL A 57 -2.906 4.307 5.127 1.00 0.00 C ATOM 424 C VAL A 57 -1.618 4.834 4.414 1.00 0.00 C ATOM 425 O VAL A 57 -0.875 5.679 4.927 1.00 0.00 O ATOM 426 CB VAL A 57 -4.121 5.245 4.854 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.639 5.103 3.408 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.355 4.917 5.694 1.00 0.00 C ATOM 0 H VAL A 57 -2.987 4.880 7.176 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.153 3.332 4.706 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.725 6.234 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.486 5.773 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.843 5.361 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.955 4.074 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.158 5.612 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.679 3.898 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.109 5.007 6.752 1.00 0.00 H new ATOM 429 N TYR A 58 -1.385 4.327 3.200 1.00 0.00 N ATOM 430 CA TYR A 58 -0.136 4.562 2.440 1.00 0.00 C ATOM 431 C TYR A 58 -0.342 5.206 1.035 1.00 0.00 C ATOM 432 O TYR A 58 -1.321 4.945 0.338 1.00 0.00 O ATOM 433 CB TYR A 58 0.488 3.140 2.282 1.00 0.00 C ATOM 434 CG TYR A 58 0.818 2.268 3.521 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.050 2.806 4.793 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.880 0.885 3.350 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.393 1.979 5.861 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.234 0.057 4.415 1.00 0.00 C ATOM 439 CZ TYR A 58 1.490 0.608 5.669 1.00 0.00 C ATOM 440 OH TYR A 58 1.818 -0.197 6.725 1.00 0.00 O ATOM 0 H TYR A 58 -2.056 3.738 2.707 1.00 0.00 H new ATOM 0 HA TYR A 58 0.491 5.277 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.192 2.561 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.414 3.259 1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.962 3.871 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.652 0.453 2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.583 2.404 6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.310 -1.010 4.268 1.00 0.00 H new ATOM 0 HH TYR A 58 1.844 -1.131 6.429 1.00 0.00 H new ATOM 441 N TYR A 59 0.632 6.004 0.582 1.00 0.00 N ATOM 442 CA TYR A 59 0.637 6.574 -0.810 1.00 0.00 C ATOM 443 C TYR A 59 1.085 5.584 -1.964 1.00 0.00 C ATOM 444 O TYR A 59 0.983 5.917 -3.146 1.00 0.00 O ATOM 445 CB TYR A 59 1.596 7.808 -0.773 1.00 0.00 C ATOM 446 CG TYR A 59 1.200 9.022 0.097 1.00 0.00 C ATOM 447 CD1 TYR A 59 -0.096 9.555 0.089 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.168 9.600 0.923 1.00 0.00 C ATOM 449 CE1 TYR A 59 -0.423 10.618 0.930 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.838 10.664 1.760 1.00 0.00 C ATOM 451 CZ TYR A 59 0.544 11.172 1.759 1.00 0.00 C ATOM 452 OH TYR A 59 0.229 12.233 2.561 1.00 0.00 O ATOM 0 H TYR A 59 1.436 6.282 1.144 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.393 6.821 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.571 7.460 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.723 8.161 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.844 9.141 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.179 9.219 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.429 11.011 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.587 11.094 2.409 1.00 0.00 H new ATOM 0 HH TYR A 59 1.018 12.498 3.078 1.00 0.00 H new ATOM 453 N LYS A 60 1.597 4.395 -1.618 1.00 0.00 N ATOM 454 CA LYS A 60 2.184 3.387 -2.528 1.00 0.00 C ATOM 455 C LYS A 60 2.194 2.025 -1.746 1.00 0.00 C ATOM 456 O LYS A 60 2.454 1.948 -0.540 1.00 0.00 O ATOM 457 CB LYS A 60 3.620 3.777 -3.031 1.00 0.00 C ATOM 458 CG LYS A 60 4.515 4.743 -2.205 1.00 0.00 C ATOM 459 CD LYS A 60 4.855 4.281 -0.779 1.00 0.00 C ATOM 460 CE LYS A 60 5.436 5.370 0.131 1.00 0.00 C ATOM 461 NZ LYS A 60 5.662 4.790 1.467 1.00 0.00 N ATOM 0 H LYS A 60 1.617 4.089 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 60 1.584 3.316 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.179 2.850 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.505 4.215 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.447 4.899 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.015 5.710 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.951 3.885 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.569 3.459 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.371 5.749 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.751 6.215 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.088 5.506 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.754 4.479 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.303 3.975 1.388 1.00 0.00 H new ATOM 462 N CYS A 61 1.878 0.937 -2.441 1.00 0.00 N ATOM 463 CA CYS A 61 1.900 -0.433 -1.862 1.00 0.00 C ATOM 464 C CYS A 61 3.302 -1.161 -1.813 1.00 0.00 C ATOM 465 O CYS A 61 4.186 -0.834 -2.614 1.00 0.00 O ATOM 466 CB CYS A 61 0.894 -1.213 -2.731 1.00 0.00 C ATOM 467 SG CYS A 61 -0.784 -0.636 -2.425 1.00 0.00 S ATOM 0 H CYS A 61 1.598 0.963 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 61 1.648 -0.381 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.141 -1.088 -3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.964 -2.278 -2.511 1.00 0.00 H new ATOM 468 N PRO A 62 3.559 -2.166 -0.914 1.00 0.00 N ATOM 469 CA PRO A 62 4.820 -2.965 -0.936 1.00 0.00 C ATOM 470 C PRO A 62 4.885 -3.976 -2.137 1.00 0.00 C ATOM 471 O PRO A 62 3.907 -4.162 -2.868 1.00 0.00 O ATOM 472 CB PRO A 62 4.768 -3.631 0.457 1.00 0.00 C ATOM 473 CG PRO A 62 3.280 -3.820 0.758 1.00 0.00 C ATOM 474 CD PRO A 62 2.615 -2.593 0.139 1.00 0.00 C ATOM 0 HA PRO A 62 5.726 -2.381 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.294 -4.586 0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.245 -3.005 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.899 -4.743 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.094 -3.875 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.637 -2.836 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.460 -1.807 0.879 1.00 0.00 H new ATOM 475 N CYS A 63 6.034 -4.626 -2.367 1.00 0.00 N ATOM 476 CA CYS A 63 6.172 -5.623 -3.467 1.00 0.00 C ATOM 477 C CYS A 63 5.729 -7.082 -3.100 1.00 0.00 C ATOM 478 O CYS A 63 5.417 -7.438 -1.959 1.00 0.00 O ATOM 479 CB CYS A 63 7.625 -5.493 -3.981 1.00 0.00 C ATOM 480 SG CYS A 63 7.600 -4.178 -5.207 1.00 0.00 S ATOM 0 H CYS A 63 6.882 -4.489 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 63 5.466 -5.401 -4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.308 -5.254 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.969 -6.429 -4.420 1.00 0.00 H new ATOM 481 N GLU A 64 5.659 -7.917 -4.147 1.00 0.00 N ATOM 482 CA GLU A 64 5.290 -9.356 -4.055 1.00 0.00 C ATOM 483 C GLU A 64 6.221 -10.245 -3.152 1.00 0.00 C ATOM 484 O GLU A 64 7.402 -9.949 -2.948 1.00 0.00 O ATOM 485 CB GLU A 64 5.197 -9.833 -5.534 1.00 0.00 C ATOM 486 CG GLU A 64 6.512 -9.837 -6.374 1.00 0.00 C ATOM 487 CD GLU A 64 6.311 -9.809 -7.885 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.746 -8.640 -8.305 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.642 -10.724 -8.630 1.00 0.00 O ATOM 0 H GLU A 64 5.859 -7.616 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 64 4.345 -9.471 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.794 -10.846 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.472 -9.200 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.112 -8.974 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.088 -10.726 -6.116 1.00 0.00 H new ATOM 490 N ARG A 65 5.677 -11.356 -2.622 1.00 0.00 N ATOM 491 CA ARG A 65 6.384 -12.235 -1.645 1.00 0.00 C ATOM 492 C ARG A 65 7.632 -12.942 -2.272 1.00 0.00 C ATOM 493 O ARG A 65 7.538 -13.791 -3.162 1.00 0.00 O ATOM 494 CB ARG A 65 5.383 -13.257 -1.038 1.00 0.00 C ATOM 495 CG ARG A 65 4.362 -12.684 -0.021 1.00 0.00 C ATOM 496 CD ARG A 65 3.120 -12.056 -0.676 1.00 0.00 C ATOM 497 NE ARG A 65 2.137 -11.572 0.330 1.00 0.00 N ATOM 498 CZ ARG A 65 2.014 -10.314 0.748 1.00 0.00 C ATOM 499 NH1 ARG A 65 2.799 -9.332 0.383 1.00 0.00 N ATOM 500 NH2 ARG A 65 1.055 -10.043 1.579 1.00 0.00 N ATOM 0 H ARG A 65 4.737 -11.678 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 65 6.771 -11.607 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.831 -13.724 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.952 -14.046 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.043 -13.482 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.857 -11.932 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.427 -11.224 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.642 -12.791 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 65 1.504 -12.262 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.567 -9.507 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.642 -8.392 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.426 -10.783 1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.930 -9.090 1.921 1.00 0.00 H new ATOM 501 N GLY A 66 8.798 -12.545 -1.759 1.00 0.00 N ATOM 502 CA GLY A 66 10.125 -12.965 -2.311 1.00 0.00 C ATOM 503 C GLY A 66 11.012 -11.836 -2.912 1.00 0.00 C ATOM 504 O GLY A 66 12.237 -11.963 -2.918 1.00 0.00 O ATOM 0 H GLY A 66 8.869 -11.925 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.687 -13.454 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.952 -13.713 -3.085 1.00 0.00 H new ATOM 505 N LEU A 67 10.410 -10.745 -3.409 1.00 0.00 N ATOM 506 CA LEU A 67 11.127 -9.576 -3.981 1.00 0.00 C ATOM 507 C LEU A 67 11.270 -8.431 -2.918 1.00 0.00 C ATOM 508 O LEU A 67 10.320 -8.131 -2.185 1.00 0.00 O ATOM 509 CB LEU A 67 10.274 -9.138 -5.206 1.00 0.00 C ATOM 510 CG LEU A 67 10.994 -8.222 -6.220 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.942 -9.026 -7.117 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.969 -7.512 -7.105 1.00 0.00 C ATOM 0 H LEU A 67 9.396 -10.640 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 67 12.147 -9.820 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.933 -10.032 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.385 -8.622 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 67 11.573 -7.493 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.434 -8.354 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.693 -9.521 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.374 -9.775 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.486 -6.869 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.381 -8.253 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.308 -6.908 -6.483 1.00 0.00 H new ATOM 513 N THR A 68 12.433 -7.756 -2.838 1.00 0.00 N ATOM 514 CA THR A 68 12.691 -6.742 -1.772 1.00 0.00 C ATOM 515 C THR A 68 12.429 -5.273 -2.235 1.00 0.00 C ATOM 516 O THR A 68 12.653 -4.895 -3.385 1.00 0.00 O ATOM 517 CB THR A 68 14.155 -6.942 -1.236 1.00 0.00 C ATOM 518 OG1 THR A 68 14.132 -6.872 0.184 1.00 0.00 O ATOM 519 CG2 THR A 68 15.215 -5.914 -1.662 1.00 0.00 C ATOM 0 H THR A 68 13.208 -7.886 -3.488 1.00 0.00 H new ATOM 0 HA THR A 68 11.977 -6.904 -0.964 1.00 0.00 H new ATOM 0 HB THR A 68 14.447 -7.900 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.039 -6.997 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.176 -6.177 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.305 -5.913 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.918 -4.922 -1.321 1.00 0.00 H new ATOM 520 N CYS A 69 12.010 -4.450 -1.275 1.00 0.00 N ATOM 521 CA CYS A 69 11.848 -2.987 -1.473 1.00 0.00 C ATOM 522 C CYS A 69 13.145 -2.234 -1.013 1.00 0.00 C ATOM 523 O CYS A 69 13.338 -2.050 0.194 1.00 0.00 O ATOM 524 CB CYS A 69 10.558 -2.582 -0.730 1.00 0.00 C ATOM 525 SG CYS A 69 10.102 -0.915 -1.231 1.00 0.00 S ATOM 0 H CYS A 69 11.770 -4.765 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 69 11.733 -2.707 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.753 -3.280 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.714 -2.623 0.348 1.00 0.00 H new ATOM 526 N GLU A 70 14.048 -1.810 -1.917 1.00 0.00 N ATOM 527 CA GLU A 70 15.329 -1.152 -1.507 1.00 0.00 C ATOM 528 C GLU A 70 15.222 0.412 -1.568 1.00 0.00 C ATOM 529 O GLU A 70 15.176 1.026 -2.640 1.00 0.00 O ATOM 530 CB GLU A 70 16.529 -1.735 -2.312 1.00 0.00 C ATOM 531 CG GLU A 70 16.516 -1.663 -3.863 1.00 0.00 C ATOM 532 CD GLU A 70 17.867 -1.910 -4.524 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.222 -3.222 -4.521 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.559 -1.026 -5.013 1.00 0.00 O ATOM 0 H GLU A 70 13.929 -1.904 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 70 15.523 -1.383 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.430 -1.227 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.630 -2.784 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.803 -2.395 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.154 -0.680 -4.164 1.00 0.00 H new ATOM 625 N PHE A 84 9.979 5.939 0.351 1.00 0.00 N ATOM 626 CA PHE A 84 9.870 5.305 -0.995 1.00 0.00 C ATOM 627 C PHE A 84 11.187 4.525 -1.333 1.00 0.00 C ATOM 628 O PHE A 84 12.291 4.832 -0.869 1.00 0.00 O ATOM 629 CB PHE A 84 9.556 6.368 -2.100 1.00 0.00 C ATOM 630 CG PHE A 84 8.345 7.306 -1.893 1.00 0.00 C ATOM 631 CD1 PHE A 84 8.413 8.360 -0.975 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.155 7.096 -2.595 1.00 0.00 C ATOM 633 CE1 PHE A 84 7.284 9.121 -0.691 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.033 7.881 -2.329 1.00 0.00 C ATOM 635 CZ PHE A 84 6.090 8.881 -1.366 1.00 0.00 C ATOM 0 HA PHE A 84 9.040 4.599 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.442 6.991 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.408 5.836 -3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.348 8.584 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.104 6.322 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.334 9.900 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.116 7.711 -2.874 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.212 9.469 -1.142 1.00 0.00 H new ATOM 636 N GLY A 85 11.060 3.520 -2.196 1.00 0.00 N ATOM 637 CA GLY A 85 12.203 2.666 -2.620 1.00 0.00 C ATOM 638 C GLY A 85 11.884 1.808 -3.856 1.00 0.00 C ATOM 639 O GLY A 85 10.726 1.472 -4.089 1.00 0.00 O ATOM 0 H GLY A 85 10.173 3.263 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.063 3.300 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.488 2.013 -1.795 1.00 0.00 H new ATOM 640 N ILE A 86 12.881 1.399 -4.647 1.00 0.00 N ATOM 641 CA ILE A 86 12.620 0.632 -5.912 1.00 0.00 C ATOM 642 C ILE A 86 12.714 -0.904 -5.612 1.00 0.00 C ATOM 643 O ILE A 86 13.604 -1.384 -4.904 1.00 0.00 O ATOM 644 CB ILE A 86 13.590 1.073 -7.073 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.524 2.588 -7.442 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.332 0.269 -8.379 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.233 3.076 -8.133 1.00 0.00 C ATOM 0 H ILE A 86 13.868 1.573 -4.456 1.00 0.00 H new ATOM 0 HA ILE A 86 11.613 0.856 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 86 14.579 0.864 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.661 3.167 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.367 2.817 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 86 14.021 0.603 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.487 -0.793 -8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.306 0.432 -8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.311 4.144 -8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.096 2.537 -9.070 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.379 2.893 -7.480 1.00 0.00 H new ATOM 648 N CYS A 87 11.790 -1.684 -6.187 1.00 0.00 N ATOM 649 CA CYS A 87 11.774 -3.159 -6.012 1.00 0.00 C ATOM 650 C CYS A 87 12.859 -3.959 -6.803 1.00 0.00 C ATOM 651 O CYS A 87 12.931 -3.870 -8.032 1.00 0.00 O ATOM 652 CB CYS A 87 10.368 -3.578 -6.430 1.00 0.00 C ATOM 653 SG CYS A 87 9.250 -3.087 -5.130 1.00 0.00 S ATOM 0 H CYS A 87 11.040 -1.327 -6.779 1.00 0.00 H new ATOM 0 HA CYS A 87 12.024 -3.397 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.091 -3.104 -7.372 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.321 -4.655 -6.589 1.00 0.00 H new ATOM 654 N HIS A 88 13.690 -4.758 -6.110 1.00 0.00 N ATOM 655 CA HIS A 88 14.744 -5.580 -6.754 1.00 0.00 C ATOM 656 C HIS A 88 14.871 -6.980 -6.076 1.00 0.00 C ATOM 657 O HIS A 88 14.559 -7.199 -4.902 1.00 0.00 O ATOM 658 CB HIS A 88 16.089 -4.817 -6.685 1.00 0.00 C ATOM 659 CG HIS A 88 16.261 -3.700 -7.714 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.703 -3.949 -9.005 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.880 -2.354 -7.573 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.544 -2.693 -9.538 1.00 0.00 C ATOM 663 NE2 HIS A 88 16.100 -1.671 -8.752 1.00 0.00 N ATOM 0 H HIS A 88 13.655 -4.856 -5.095 1.00 0.00 H new ATOM 0 HA HIS A 88 14.470 -5.751 -7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.194 -4.389 -5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.901 -5.533 -6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.474 -1.918 -6.672 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.770 -2.515 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.968 -0.684 -8.972 1.00 0.00 H new ATOM 664 N ASN A 89 15.443 -7.924 -6.830 1.00 0.00 N ATOM 665 CA ASN A 89 15.757 -9.297 -6.324 1.00 0.00 C ATOM 666 C ASN A 89 17.261 -9.485 -5.873 1.00 0.00 C ATOM 667 O ASN A 89 17.895 -10.513 -6.111 1.00 0.00 O ATOM 668 CB ASN A 89 15.317 -10.200 -7.501 1.00 0.00 C ATOM 669 CG ASN A 89 15.039 -11.664 -7.167 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.909 -12.058 -6.913 1.00 0.00 O ATOM 671 ND2 ASN A 89 16.023 -12.521 -7.164 1.00 0.00 N ATOM 0 H ASN A 89 15.706 -7.776 -7.804 1.00 0.00 H new ATOM 0 HA ASN A 89 15.237 -9.542 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.416 -9.773 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.092 -10.166 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.844 -13.503 -6.952 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.971 -12.209 -7.374 1.00 0.00 H new ATOM 672 N VAL A 90 17.800 -8.457 -5.199 1.00 0.00 N ATOM 673 CA VAL A 90 19.160 -8.406 -4.564 1.00 0.00 C ATOM 674 C VAL A 90 20.326 -8.881 -5.516 1.00 0.00 C ATOM 675 O VAL A 90 20.943 -9.938 -5.354 1.00 0.00 O ATOM 676 CB VAL A 90 19.100 -9.102 -3.160 1.00 0.00 C ATOM 677 CG1 VAL A 90 20.425 -9.021 -2.363 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.011 -8.547 -2.202 1.00 0.00 C ATOM 0 H VAL A 90 17.286 -7.586 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 90 19.434 -7.366 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 90 18.868 -10.128 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.304 -9.524 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 90 21.220 -9.505 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.685 -7.976 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.046 -9.090 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.193 -7.488 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.028 -8.673 -2.656 1.00 0.00 H new