USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 435 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 51 THR OG1 : rot 168:sc= 1.25 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -173:sc= 0.484 (180deg=0) USER MOD Set 2.1: A 45 HIS : no HE2:sc= -0.197 K(o=0.85,f=-0.72) USER MOD Set 2.2: A 66 HIS : no HE2:sc= 1.05 K(o=0.85,f=-5.3!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0.363 K(o=0.34,f=-5.8!) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -0.0273 X(o=0.34,f=0.36) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -0.0399 X(o=-0.046,f=-0.0065) USER MOD Set 4.2: A 30 HIS : no HD1:sc=-0.00646 X(o=-0.046,f=-0.05) USER MOD Set 5.1: A 5 THR OG1 : rot -45:sc= 1.37 USER MOD Set 5.2: A 14 THR OG1 : rot -35:sc= 0.225 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.728 K(o=0.73,f=-2.7!) USER MOD Single : A 12 ASN : amide:sc= 0.867 K(o=0.87,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0.885 (180deg=-0.0521) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 121:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0051 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -2:sc= 0.152 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.864 -9.554 -0.834 1.00 10.00 N ATOM 14 CA ASP A 2 -7.909 -10.618 -0.534 1.00 10.00 C ATOM 15 C ASP A 2 -6.758 -10.770 -1.560 1.00 10.00 C ATOM 16 O ASP A 2 -6.942 -11.389 -2.604 1.00 10.00 O ATOM 17 CB ASP A 2 -8.742 -11.910 -0.431 1.00 10.00 C ATOM 18 CG ASP A 2 -9.845 -11.881 0.617 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.297 -10.779 1.015 1.00 10.00 O ATOM 20 OD2 ASP A 2 -10.197 -12.966 1.125 1.00 10.00 O ATOM 0 HA ASP A 2 -7.387 -10.377 0.392 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.190 -12.114 -1.403 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.072 -12.740 -0.209 1.00 10.00 H new ATOM 25 N VAL A 3 -5.576 -10.216 -1.246 1.00 10.00 N ATOM 26 CA VAL A 3 -4.354 -10.265 -2.062 1.00 10.00 C ATOM 27 C VAL A 3 -4.596 -9.904 -3.539 1.00 10.00 C ATOM 28 O VAL A 3 -4.761 -10.773 -4.392 1.00 10.00 O ATOM 29 CB VAL A 3 -3.625 -11.609 -1.861 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.340 -11.707 -2.701 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.204 -11.787 -0.395 1.00 10.00 C ATOM 0 H VAL A 3 -5.441 -9.699 -0.377 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.685 -9.481 -1.706 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.333 -12.378 -2.170 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.863 -12.671 -2.525 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.588 -11.613 -3.758 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.657 -10.907 -2.416 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.692 -12.742 -0.277 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.533 -10.977 -0.108 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.088 -11.768 0.242 1.00 10.00 H new ATOM 41 N VAL A 4 -4.575 -8.606 -3.859 1.00 10.00 N ATOM 42 CA VAL A 4 -4.833 -8.143 -5.225 1.00 10.00 C ATOM 43 C VAL A 4 -3.606 -8.366 -6.121 1.00 10.00 C ATOM 44 O VAL A 4 -3.678 -9.036 -7.146 1.00 10.00 O ATOM 45 CB VAL A 4 -5.255 -6.659 -5.232 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.708 -6.234 -6.636 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.392 -6.369 -4.249 1.00 10.00 C ATOM 0 H VAL A 4 -4.382 -7.859 -3.192 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.657 -8.731 -5.629 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.378 -6.090 -4.925 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.002 -5.184 -6.621 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.887 -6.371 -7.340 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.557 -6.844 -6.945 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.650 -5.311 -4.294 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.264 -6.967 -4.514 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.072 -6.622 -3.238 1.00 10.00 H new ATOM 57 N THR A 5 -2.480 -7.765 -5.719 1.00 10.00 N ATOM 58 CA THR A 5 -1.273 -7.574 -6.531 1.00 10.00 C ATOM 59 C THR A 5 -1.493 -6.625 -7.727 1.00 10.00 C ATOM 60 O THR A 5 -2.490 -6.722 -8.436 1.00 10.00 O ATOM 61 CB THR A 5 -0.590 -8.918 -6.889 1.00 10.00 C ATOM 62 OG1 THR A 5 0.689 -8.984 -6.286 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.396 -9.153 -8.389 1.00 10.00 C ATOM 0 H THR A 5 -2.381 -7.382 -4.779 1.00 10.00 H new ATOM 0 HA THR A 5 -0.551 -7.047 -5.907 1.00 10.00 H new ATOM 0 HB THR A 5 -1.268 -9.686 -6.517 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.156 -8.132 -6.415 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.089 -10.117 -8.547 1.00 10.00 H new ATOM 0 HG22 THR A 5 -1.366 -9.149 -8.886 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.228 -8.361 -8.804 1.00 10.00 H new ATOM 71 N TYR A 6 -0.578 -5.668 -7.929 1.00 10.00 N ATOM 72 CA TYR A 6 -0.640 -4.695 -9.028 1.00 10.00 C ATOM 73 C TYR A 6 0.497 -4.919 -10.018 1.00 10.00 C ATOM 74 O TYR A 6 1.662 -4.691 -9.688 1.00 10.00 O ATOM 75 CB TYR A 6 -0.583 -3.257 -8.500 1.00 10.00 C ATOM 76 CG TYR A 6 -1.936 -2.597 -8.325 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.962 -3.248 -7.613 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.108 -1.261 -8.720 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.114 -2.535 -7.229 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.240 -0.543 -8.310 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.244 -1.177 -7.566 1.00 10.00 C ATOM 82 OH TYR A 6 -5.259 -0.428 -7.061 1.00 10.00 O ATOM 0 H TYR A 6 0.236 -5.546 -7.327 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.591 -4.843 -9.539 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.066 -3.256 -7.541 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.015 -2.655 -9.185 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.865 -4.294 -7.362 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.365 -0.784 -9.342 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.897 -3.032 -6.676 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.339 0.501 -8.568 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.190 0.488 -7.402 1.00 10.00 H new ATOM 92 N GLU A 7 0.144 -5.330 -11.235 1.00 10.00 N ATOM 93 CA GLU A 7 1.085 -5.659 -12.290 1.00 10.00 C ATOM 94 C GLU A 7 1.242 -4.490 -13.268 1.00 10.00 C ATOM 95 O GLU A 7 0.335 -4.171 -14.032 1.00 10.00 O ATOM 96 CB GLU A 7 0.662 -6.986 -12.926 1.00 10.00 C ATOM 97 CG GLU A 7 0.448 -8.030 -11.818 1.00 10.00 C ATOM 98 CD GLU A 7 0.807 -9.440 -12.255 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.085 -10.125 -12.794 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.987 -9.795 -12.032 1.00 10.00 O ATOM 0 H GLU A 7 -0.830 -5.444 -11.516 1.00 10.00 H new ATOM 0 HA GLU A 7 2.088 -5.809 -11.891 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.256 -6.853 -13.499 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.426 -7.329 -13.623 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.050 -7.760 -10.950 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.595 -8.008 -11.502 1.00 10.00 H new ATOM 107 N ASN A 8 2.398 -3.827 -13.187 1.00 10.00 N ATOM 108 CA ASN A 8 2.743 -2.609 -13.907 1.00 10.00 C ATOM 109 C ASN A 8 4.095 -2.797 -14.600 1.00 10.00 C ATOM 110 O ASN A 8 4.732 -3.841 -14.452 1.00 10.00 O ATOM 111 CB ASN A 8 2.758 -1.451 -12.901 1.00 10.00 C ATOM 112 CG ASN A 8 3.857 -1.622 -11.858 1.00 10.00 C ATOM 113 OD1 ASN A 8 4.973 -1.146 -12.022 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.584 -2.351 -10.785 1.00 10.00 N ATOM 0 H ASN A 8 3.156 -4.146 -12.584 1.00 10.00 H new ATOM 0 HA ASN A 8 2.013 -2.382 -14.683 1.00 10.00 H new ATOM 0 HB2 ASN A 8 2.904 -0.510 -13.432 1.00 10.00 H new ATOM 0 HB3 ASN A 8 1.790 -1.389 -12.403 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.307 -2.520 -10.086 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.651 -2.743 -10.659 1.00 10.00 H new ATOM 121 N ALA A 9 4.551 -1.800 -15.353 1.00 10.00 N ATOM 122 CA ALA A 9 5.775 -1.928 -16.132 1.00 10.00 C ATOM 123 C ALA A 9 7.024 -1.885 -15.249 1.00 10.00 C ATOM 124 O ALA A 9 8.029 -2.517 -15.562 1.00 10.00 O ATOM 125 CB ALA A 9 5.821 -0.818 -17.175 1.00 10.00 C ATOM 0 H ALA A 9 4.090 -0.894 -15.439 1.00 10.00 H new ATOM 0 HA ALA A 9 5.768 -2.900 -16.624 1.00 10.00 H new ATOM 0 HB1 ALA A 9 6.735 -0.908 -17.762 1.00 10.00 H new ATOM 0 HB2 ALA A 9 4.957 -0.902 -17.834 1.00 10.00 H new ATOM 0 HB3 ALA A 9 5.804 0.151 -16.676 1.00 10.00 H new ATOM 131 N ALA A 10 6.967 -1.142 -14.141 1.00 10.00 N ATOM 132 CA ALA A 10 8.115 -0.914 -13.272 1.00 10.00 C ATOM 133 C ALA A 10 8.166 -1.907 -12.104 1.00 10.00 C ATOM 134 O ALA A 10 8.479 -1.514 -10.983 1.00 10.00 O ATOM 135 CB ALA A 10 8.068 0.538 -12.787 1.00 10.00 C ATOM 0 H ALA A 10 6.115 -0.680 -13.823 1.00 10.00 H new ATOM 0 HA ALA A 10 9.033 -1.083 -13.835 1.00 10.00 H new ATOM 0 HB1 ALA A 10 8.919 0.731 -12.134 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.109 1.210 -13.645 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.143 0.708 -12.237 1.00 10.00 H new ATOM 141 N GLY A 11 7.868 -3.188 -12.347 1.00 10.00 N ATOM 142 CA GLY A 11 7.903 -4.213 -11.298 1.00 10.00 C ATOM 143 C GLY A 11 6.536 -4.348 -10.644 1.00 10.00 C ATOM 144 O GLY A 11 6.029 -3.371 -10.088 1.00 10.00 O ATOM 0 H GLY A 11 7.599 -3.541 -13.265 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.205 -5.169 -11.725 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.648 -3.949 -10.547 1.00 10.00 H new ATOM 148 N ASN A 12 5.927 -5.540 -10.674 1.00 10.00 N ATOM 149 CA ASN A 12 4.652 -5.713 -9.985 1.00 10.00 C ATOM 150 C ASN A 12 4.814 -5.554 -8.472 1.00 10.00 C ATOM 151 O ASN A 12 5.928 -5.567 -7.961 1.00 10.00 O ATOM 152 CB ASN A 12 3.910 -7.000 -10.371 1.00 10.00 C ATOM 153 CG ASN A 12 4.542 -8.300 -9.879 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.469 -8.309 -9.083 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.043 -9.440 -10.334 1.00 10.00 N ATOM 0 H ASN A 12 6.284 -6.368 -11.150 1.00 10.00 H new ATOM 0 HA ASN A 12 4.004 -4.908 -10.332 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.893 -6.942 -9.983 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.834 -7.042 -11.458 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.433 -10.329 -10.020 1.00 10.00 H new ATOM 0 HD22 ASN A 12 3.269 -9.429 -10.998 1.00 10.00 H new ATOM 162 N VAL A 13 3.701 -5.372 -7.769 1.00 10.00 N ATOM 163 CA VAL A 13 3.677 -5.179 -6.322 1.00 10.00 C ATOM 164 C VAL A 13 2.513 -5.976 -5.714 1.00 10.00 C ATOM 165 O VAL A 13 1.635 -6.443 -6.439 1.00 10.00 O ATOM 166 CB VAL A 13 3.696 -3.663 -6.027 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.642 -2.903 -6.827 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.492 -3.306 -4.552 1.00 10.00 C ATOM 0 H VAL A 13 2.774 -5.354 -8.195 1.00 10.00 H new ATOM 0 HA VAL A 13 4.563 -5.581 -5.831 1.00 10.00 H new ATOM 0 HB VAL A 13 4.700 -3.362 -6.325 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.696 -1.842 -6.584 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.825 -3.041 -7.893 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.651 -3.283 -6.576 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.519 -2.223 -4.433 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.526 -3.684 -4.216 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.285 -3.757 -3.955 1.00 10.00 H new ATOM 178 N THR A 14 2.523 -6.172 -4.394 1.00 10.00 N ATOM 179 CA THR A 14 1.691 -7.100 -3.631 1.00 10.00 C ATOM 180 C THR A 14 0.900 -6.332 -2.578 1.00 10.00 C ATOM 181 O THR A 14 1.303 -6.180 -1.432 1.00 10.00 O ATOM 182 CB THR A 14 2.542 -8.249 -3.065 1.00 10.00 C ATOM 183 OG1 THR A 14 2.955 -9.050 -4.151 1.00 10.00 O ATOM 184 CG2 THR A 14 1.776 -9.172 -2.116 1.00 10.00 C ATOM 0 H THR A 14 3.157 -5.649 -3.790 1.00 10.00 H new ATOM 0 HA THR A 14 0.958 -7.575 -4.283 1.00 10.00 H new ATOM 0 HB THR A 14 3.361 -7.793 -2.509 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.246 -9.076 -4.827 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.441 -9.958 -1.757 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.405 -8.596 -1.269 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.936 -9.621 -2.645 1.00 10.00 H new ATOM 192 N PHE A 15 -0.244 -5.830 -3.034 1.00 10.00 N ATOM 193 CA PHE A 15 -1.351 -5.314 -2.231 1.00 10.00 C ATOM 194 C PHE A 15 -2.029 -6.459 -1.457 1.00 10.00 C ATOM 195 O PHE A 15 -2.984 -7.067 -1.953 1.00 10.00 O ATOM 196 CB PHE A 15 -2.379 -4.658 -3.162 1.00 10.00 C ATOM 197 CG PHE A 15 -2.064 -3.275 -3.692 1.00 10.00 C ATOM 198 CD1 PHE A 15 -0.899 -3.050 -4.451 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.087 -2.308 -3.687 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.772 -1.877 -5.209 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.972 -1.157 -4.481 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.818 -0.948 -5.248 1.00 10.00 C ATOM 0 H PHE A 15 -0.436 -5.768 -4.034 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.966 -4.584 -1.519 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.528 -5.319 -4.016 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.329 -4.605 -2.630 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.104 -3.781 -4.449 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.962 -2.452 -3.071 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.135 -1.690 -5.764 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.773 -0.432 -4.501 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.736 -0.069 -5.870 1.00 10.00 H new ATOM 212 N ASP A 16 -1.571 -6.742 -0.238 1.00 10.00 N ATOM 213 CA ASP A 16 -1.981 -7.875 0.571 1.00 10.00 C ATOM 214 C ASP A 16 -3.087 -7.433 1.535 1.00 10.00 C ATOM 215 O ASP A 16 -2.935 -7.424 2.756 1.00 10.00 O ATOM 216 CB ASP A 16 -0.735 -8.474 1.235 1.00 10.00 C ATOM 217 CG ASP A 16 0.028 -7.468 2.077 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.249 -6.344 1.576 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.347 -7.814 3.235 1.00 10.00 O ATOM 0 H ASP A 16 -0.875 -6.159 0.227 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.421 -8.675 -0.024 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.033 -9.314 1.863 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -0.074 -8.870 0.464 1.00 10.00 H new ATOM 224 N HIS A 17 -4.220 -7.067 0.923 1.00 10.00 N ATOM 225 CA HIS A 17 -5.431 -6.543 1.555 1.00 10.00 C ATOM 226 C HIS A 17 -5.708 -7.216 2.906 1.00 10.00 C ATOM 227 O HIS A 17 -5.827 -6.557 3.936 1.00 10.00 O ATOM 228 CB HIS A 17 -6.597 -6.740 0.568 1.00 10.00 C ATOM 229 CG HIS A 17 -7.712 -5.723 0.652 1.00 10.00 C ATOM 230 ND1 HIS A 17 -9.051 -6.005 0.804 1.00 10.00 N ATOM 231 CD2 HIS A 17 -7.578 -4.358 0.656 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.702 -4.833 0.914 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.845 -3.799 0.869 1.00 10.00 N ATOM 0 H HIS A 17 -4.319 -7.134 -0.090 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.305 -5.483 1.776 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.196 -6.728 -0.445 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.022 -7.731 0.731 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -9.473 -6.933 0.829 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -6.657 -3.810 0.519 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -10.772 -4.736 1.024 1.00 10.00 H new ATOM 241 N LYS A 18 -5.757 -8.552 2.875 1.00 10.00 N ATOM 242 CA LYS A 18 -5.941 -9.401 4.043 1.00 10.00 C ATOM 243 C LYS A 18 -4.832 -9.190 5.081 1.00 10.00 C ATOM 244 O LYS A 18 -5.089 -8.630 6.136 1.00 10.00 O ATOM 245 CB LYS A 18 -6.051 -10.879 3.621 1.00 10.00 C ATOM 246 CG LYS A 18 -7.183 -11.574 4.390 1.00 10.00 C ATOM 247 CD LYS A 18 -8.447 -11.475 3.533 1.00 10.00 C ATOM 248 CE LYS A 18 -9.737 -11.799 4.290 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.865 -11.864 3.336 1.00 10.00 N ATOM 0 H LYS A 18 -5.666 -9.082 2.008 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.877 -9.114 4.523 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.238 -10.944 2.549 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.107 -11.389 3.812 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.931 -12.617 4.584 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.338 -11.098 5.358 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.520 -10.467 3.126 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.354 -12.155 2.686 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.635 -12.749 4.814 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -9.929 -11.037 5.046 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -11.764 -11.846 3.859 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.823 -11.048 2.692 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.803 -12.743 2.784 1.00 10.00 H new ATOM 263 N ALA A 19 -3.595 -9.600 4.785 1.00 10.00 N ATOM 264 CA ALA A 19 -2.506 -9.599 5.758 1.00 10.00 C ATOM 265 C ALA A 19 -2.271 -8.214 6.377 1.00 10.00 C ATOM 266 O ALA A 19 -2.180 -8.086 7.603 1.00 10.00 O ATOM 267 CB ALA A 19 -1.244 -10.145 5.098 1.00 10.00 C ATOM 0 H ALA A 19 -3.324 -9.941 3.863 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.786 -10.247 6.588 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.427 -10.147 5.820 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.425 -11.163 4.753 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.976 -9.516 4.249 1.00 10.00 H new ATOM 273 N HIS A 20 -2.231 -7.164 5.546 1.00 10.00 N ATOM 274 CA HIS A 20 -2.216 -5.800 6.068 1.00 10.00 C ATOM 275 C HIS A 20 -3.420 -5.538 6.983 1.00 10.00 C ATOM 276 O HIS A 20 -3.226 -5.043 8.086 1.00 10.00 O ATOM 277 CB HIS A 20 -2.091 -4.752 4.953 1.00 10.00 C ATOM 278 CG HIS A 20 -0.668 -4.459 4.555 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.267 -5.410 4.263 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.064 -3.234 4.413 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.392 -4.781 3.914 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.262 -3.446 3.999 1.00 10.00 N ATOM 0 H HIS A 20 -2.209 -7.234 4.529 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.320 -5.699 6.680 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.640 -5.099 4.077 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.565 -3.827 5.281 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.131 -6.420 4.304 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.527 -2.274 4.589 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.296 -5.283 3.602 1.00 10.00 H new ATOM 290 N ALA A 21 -4.650 -5.886 6.589 1.00 10.00 N ATOM 291 CA ALA A 21 -5.803 -5.732 7.479 1.00 10.00 C ATOM 292 C ALA A 21 -5.658 -6.477 8.812 1.00 10.00 C ATOM 293 O ALA A 21 -5.918 -5.913 9.870 1.00 10.00 O ATOM 294 CB ALA A 21 -7.094 -6.148 6.774 1.00 10.00 C ATOM 0 H ALA A 21 -4.870 -6.272 5.671 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.849 -4.671 7.725 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.936 -6.025 7.455 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.245 -5.524 5.893 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.022 -7.192 6.470 1.00 10.00 H new ATOM 300 N GLU A 22 -5.246 -7.742 8.764 1.00 10.00 N ATOM 301 CA GLU A 22 -5.079 -8.597 9.930 1.00 10.00 C ATOM 302 C GLU A 22 -4.105 -7.982 10.953 1.00 10.00 C ATOM 303 O GLU A 22 -4.382 -7.998 12.151 1.00 10.00 O ATOM 304 CB GLU A 22 -4.671 -10.000 9.456 1.00 10.00 C ATOM 305 CG GLU A 22 -5.780 -10.673 8.640 1.00 10.00 C ATOM 306 CD GLU A 22 -5.380 -12.028 8.072 1.00 10.00 C ATOM 307 OE1 GLU A 22 -5.018 -12.901 8.888 1.00 10.00 O ATOM 308 OE2 GLU A 22 -5.464 -12.164 6.831 1.00 10.00 O ATOM 0 H GLU A 22 -5.014 -8.210 7.888 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.023 -8.685 10.467 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.767 -9.930 8.851 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.429 -10.619 10.320 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.660 -10.798 9.271 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.067 -10.015 7.820 1.00 10.00 H new ATOM 315 N LYS A 23 -2.982 -7.406 10.501 1.00 10.00 N ATOM 316 CA LYS A 23 -2.065 -6.675 11.367 1.00 10.00 C ATOM 317 C LYS A 23 -2.549 -5.264 11.736 1.00 10.00 C ATOM 318 O LYS A 23 -2.305 -4.797 12.847 1.00 10.00 O ATOM 319 CB LYS A 23 -0.696 -6.599 10.679 1.00 10.00 C ATOM 320 CG LYS A 23 0.402 -6.640 11.738 1.00 10.00 C ATOM 321 CD LYS A 23 1.805 -6.776 11.129 1.00 10.00 C ATOM 322 CE LYS A 23 2.854 -6.741 12.251 1.00 10.00 C ATOM 323 NZ LYS A 23 4.184 -7.194 11.788 1.00 10.00 N ATOM 0 H LYS A 23 -2.690 -7.438 9.524 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.005 -7.222 12.308 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.578 -7.430 9.984 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.620 -5.682 10.095 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.357 -5.731 12.338 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.220 -7.477 12.413 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.883 -7.710 10.572 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.986 -5.967 10.421 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.933 -5.726 12.640 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.523 -7.373 13.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.859 -7.153 12.578 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 4.116 -8.172 11.440 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.513 -6.576 11.019 1.00 10.00 H new ATOM 337 N LEU A 24 -3.153 -4.567 10.772 1.00 10.00 N ATOM 338 CA LEU A 24 -3.526 -3.161 10.848 1.00 10.00 C ATOM 339 C LEU A 24 -5.035 -3.007 11.093 1.00 10.00 C ATOM 340 O LEU A 24 -5.467 -2.943 12.243 1.00 10.00 O ATOM 341 CB LEU A 24 -2.998 -2.414 9.615 1.00 10.00 C ATOM 342 CG LEU A 24 -1.492 -2.573 9.359 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.187 -2.115 7.932 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.674 -1.747 10.361 1.00 10.00 C ATOM 0 H LEU A 24 -3.405 -4.990 9.879 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.052 -2.692 11.710 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.540 -2.764 8.736 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.223 -1.353 9.727 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.216 -3.620 9.485 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.120 -2.222 7.736 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.749 -2.726 7.226 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.474 -1.070 7.816 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.389 -1.877 10.158 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -0.936 -0.693 10.263 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -0.894 -2.083 11.374 1.00 10.00 H new ATOM 356 N GLY A 25 -5.838 -2.945 10.029 1.00 10.00 N ATOM 357 CA GLY A 25 -7.281 -2.866 10.071 1.00 10.00 C ATOM 358 C GLY A 25 -7.764 -2.431 8.688 1.00 10.00 C ATOM 359 O GLY A 25 -7.063 -2.607 7.691 1.00 10.00 O ATOM 0 H GLY A 25 -5.474 -2.949 9.076 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.709 -3.832 10.339 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.603 -2.153 10.830 1.00 10.00 H new ATOM 363 N CYS A 26 -8.938 -1.821 8.626 1.00 10.00 N ATOM 364 CA CYS A 26 -9.465 -1.190 7.413 1.00 10.00 C ATOM 365 C CYS A 26 -9.209 0.311 7.486 1.00 10.00 C ATOM 366 O CYS A 26 -8.561 0.882 6.614 1.00 10.00 O ATOM 367 CB CYS A 26 -10.933 -1.475 7.237 1.00 10.00 C ATOM 368 SG CYS A 26 -11.360 -3.222 7.526 1.00 10.00 S ATOM 0 H CYS A 26 -9.566 -1.746 9.427 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.954 -1.607 6.545 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.504 -0.849 7.923 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.233 -1.196 6.227 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.638 -3.390 7.359 1.00 10.00 H new ATOM 373 N ASP A 27 -9.678 0.898 8.585 1.00 10.00 N ATOM 374 CA ASP A 27 -9.232 2.123 9.231 1.00 10.00 C ATOM 375 C ASP A 27 -7.801 2.501 8.814 1.00 10.00 C ATOM 376 O ASP A 27 -7.589 3.505 8.135 1.00 10.00 O ATOM 377 CB ASP A 27 -9.369 1.850 10.745 1.00 10.00 C ATOM 378 CG ASP A 27 -8.866 0.456 11.102 1.00 10.00 C ATOM 379 OD1 ASP A 27 -7.655 0.358 11.382 1.00 10.00 O ATOM 380 OD2 ASP A 27 -9.639 -0.502 10.863 1.00 10.00 O ATOM 0 H ASP A 27 -10.459 0.483 9.094 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.829 2.985 8.935 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.806 2.597 11.304 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.413 1.950 11.042 1.00 10.00 H new ATOM 385 N ALA A 28 -6.839 1.637 9.154 1.00 10.00 N ATOM 386 CA ALA A 28 -5.429 1.695 8.811 1.00 10.00 C ATOM 387 C ALA A 28 -5.112 2.182 7.383 1.00 10.00 C ATOM 388 O ALA A 28 -4.064 2.790 7.171 1.00 10.00 O ATOM 389 CB ALA A 28 -4.861 0.293 9.048 1.00 10.00 C ATOM 0 H ALA A 28 -7.052 0.816 9.721 1.00 10.00 H new ATOM 0 HA ALA A 28 -4.963 2.451 9.443 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.799 0.285 8.803 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.995 0.018 10.094 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.385 -0.424 8.415 1.00 10.00 H new ATOM 395 N CYS A 29 -5.986 1.905 6.410 1.00 10.00 N ATOM 396 CA CYS A 29 -5.820 2.273 5.005 1.00 10.00 C ATOM 397 C CYS A 29 -6.999 3.091 4.453 1.00 10.00 C ATOM 398 O CYS A 29 -6.968 3.491 3.291 1.00 10.00 O ATOM 399 CB CYS A 29 -5.716 1.006 4.208 1.00 10.00 C ATOM 400 SG CYS A 29 -4.110 0.162 4.405 1.00 10.00 S ATOM 0 H CYS A 29 -6.856 1.402 6.587 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.927 2.894 4.927 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.515 0.328 4.510 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -5.872 1.234 3.154 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.099 -0.923 3.689 1.00 10.00 H new ATOM 405 N HIS A 30 -8.059 3.291 5.235 1.00 10.00 N ATOM 406 CA HIS A 30 -9.334 3.790 4.750 1.00 10.00 C ATOM 407 C HIS A 30 -9.979 4.711 5.795 1.00 10.00 C ATOM 408 O HIS A 30 -10.451 4.248 6.833 1.00 10.00 O ATOM 409 CB HIS A 30 -10.233 2.584 4.448 1.00 10.00 C ATOM 410 CG HIS A 30 -9.856 1.742 3.263 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.061 2.078 1.951 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.586 0.406 3.292 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.881 0.969 1.203 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.591 -0.088 1.978 1.00 10.00 N ATOM 0 H HIS A 30 -8.050 3.106 6.238 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.192 4.377 3.843 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.250 1.943 5.329 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.250 2.947 4.298 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.399 -0.177 4.181 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.960 0.936 0.126 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.412 -1.046 1.676 1.00 10.00 H new ATOM 422 N GLU A 31 -10.046 6.007 5.500 1.00 10.00 N ATOM 423 CA GLU A 31 -10.457 7.064 6.411 1.00 10.00 C ATOM 424 C GLU A 31 -11.984 7.143 6.624 1.00 10.00 C ATOM 425 O GLU A 31 -12.608 8.194 6.481 1.00 10.00 O ATOM 426 CB GLU A 31 -9.832 8.386 5.938 1.00 10.00 C ATOM 427 CG GLU A 31 -10.197 8.808 4.496 1.00 10.00 C ATOM 428 CD GLU A 31 -9.287 8.237 3.411 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.466 7.039 3.094 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.431 9.004 2.925 1.00 10.00 O ATOM 0 H GLU A 31 -9.803 6.362 4.575 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.081 6.833 7.408 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.139 9.179 6.620 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -8.748 8.304 6.012 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -11.222 8.499 4.291 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -10.174 9.896 4.434 1.00 10.00 H new ATOM 437 N GLY A 32 -12.585 6.017 7.013 1.00 10.00 N ATOM 438 CA GLY A 32 -14.034 5.843 7.098 1.00 10.00 C ATOM 439 C GLY A 32 -14.654 5.548 5.724 1.00 10.00 C ATOM 440 O GLY A 32 -14.151 6.001 4.700 1.00 10.00 O ATOM 0 H GLY A 32 -12.065 5.182 7.284 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.263 5.026 7.783 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.485 6.744 7.514 1.00 10.00 H new ATOM 444 N THR A 33 -15.735 4.760 5.692 1.00 10.00 N ATOM 445 CA THR A 33 -16.442 4.370 4.462 1.00 10.00 C ATOM 446 C THR A 33 -15.487 3.807 3.395 1.00 10.00 C ATOM 447 O THR A 33 -15.152 4.495 2.431 1.00 10.00 O ATOM 448 CB THR A 33 -17.284 5.538 3.928 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.153 5.955 4.959 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.171 5.119 2.746 1.00 10.00 C ATOM 0 H THR A 33 -16.153 4.367 6.536 1.00 10.00 H new ATOM 0 HA THR A 33 -17.123 3.557 4.715 1.00 10.00 H new ATOM 0 HB THR A 33 -16.600 6.321 3.600 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.701 6.703 4.642 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.748 5.977 2.402 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.544 4.753 1.933 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.851 4.329 3.064 1.00 10.00 H new ATOM 458 N PRO A 34 -15.029 2.555 3.547 1.00 10.00 N ATOM 459 CA PRO A 34 -14.029 1.983 2.662 1.00 10.00 C ATOM 460 C PRO A 34 -14.559 1.850 1.230 1.00 10.00 C ATOM 461 O PRO A 34 -15.717 1.500 1.011 1.00 10.00 O ATOM 462 CB PRO A 34 -13.686 0.625 3.269 1.00 10.00 C ATOM 463 CG PRO A 34 -14.981 0.235 3.978 1.00 10.00 C ATOM 464 CD PRO A 34 -15.462 1.573 4.529 1.00 10.00 C ATOM 0 HA PRO A 34 -13.147 2.618 2.583 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.409 -0.101 2.505 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.849 0.692 3.964 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.704 -0.206 3.292 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.808 -0.493 4.770 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.545 1.585 4.650 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.030 1.776 5.509 1.00 10.00 H new ATOM 472 N ALA A 35 -13.695 2.132 0.257 1.00 10.00 N ATOM 473 CA ALA A 35 -14.036 2.194 -1.157 1.00 10.00 C ATOM 474 C ALA A 35 -12.769 1.998 -1.998 1.00 10.00 C ATOM 475 O ALA A 35 -11.678 1.820 -1.451 1.00 10.00 O ATOM 476 CB ALA A 35 -14.698 3.552 -1.437 1.00 10.00 C ATOM 0 H ALA A 35 -12.711 2.329 0.439 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.735 1.402 -1.424 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.961 3.618 -2.493 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.599 3.649 -0.832 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.004 4.354 -1.186 1.00 10.00 H new ATOM 482 N LYS A 36 -12.897 2.043 -3.327 1.00 10.00 N ATOM 483 CA LYS A 36 -11.737 1.942 -4.204 1.00 10.00 C ATOM 484 C LYS A 36 -10.890 3.223 -4.169 1.00 10.00 C ATOM 485 O LYS A 36 -11.135 4.185 -4.892 1.00 10.00 O ATOM 486 CB LYS A 36 -12.139 1.504 -5.616 1.00 10.00 C ATOM 487 CG LYS A 36 -12.802 2.600 -6.468 1.00 10.00 C ATOM 488 CD LYS A 36 -13.738 2.035 -7.543 1.00 10.00 C ATOM 489 CE LYS A 36 -15.134 1.774 -6.957 1.00 10.00 C ATOM 490 NZ LYS A 36 -16.067 1.270 -7.987 1.00 10.00 N ATOM 0 H LYS A 36 -13.788 2.148 -3.813 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.089 1.152 -3.824 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.251 1.146 -6.137 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.824 0.660 -5.538 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.366 3.268 -5.817 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.028 3.200 -6.946 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.811 2.736 -8.375 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.326 1.108 -7.942 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.060 1.050 -6.146 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.528 2.695 -6.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -17.000 1.104 -7.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -16.156 1.973 -8.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.703 0.378 -8.379 1.00 10.00 H new ATOM 504 N ILE A 37 -9.873 3.234 -3.313 1.00 10.00 N ATOM 505 CA ILE A 37 -8.853 4.277 -3.354 1.00 10.00 C ATOM 506 C ILE A 37 -8.034 4.069 -4.634 1.00 10.00 C ATOM 507 O ILE A 37 -7.521 2.977 -4.860 1.00 10.00 O ATOM 508 CB ILE A 37 -7.978 4.231 -2.086 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.850 4.478 -0.839 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.869 5.293 -2.174 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.070 4.384 0.475 1.00 10.00 C ATOM 0 H ILE A 37 -9.733 2.534 -2.584 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.307 5.268 -3.372 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.517 3.246 -2.007 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.306 5.465 -0.913 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.663 3.752 -0.823 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.255 5.254 -1.274 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.246 5.097 -3.047 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.319 6.282 -2.264 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.744 4.568 1.312 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.637 3.388 0.570 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.274 5.128 0.480 1.00 10.00 H new ATOM 523 N ALA A 38 -7.917 5.092 -5.486 1.00 10.00 N ATOM 524 CA ALA A 38 -7.043 5.009 -6.651 1.00 10.00 C ATOM 525 C ALA A 38 -5.574 5.029 -6.218 1.00 10.00 C ATOM 526 O ALA A 38 -5.124 5.977 -5.573 1.00 10.00 O ATOM 527 CB ALA A 38 -7.351 6.143 -7.627 1.00 10.00 C ATOM 0 H ALA A 38 -8.413 5.978 -5.389 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.227 4.065 -7.165 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.691 6.068 -8.491 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.388 6.069 -7.955 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.194 7.102 -7.132 1.00 10.00 H new ATOM 533 N ILE A 39 -4.849 3.951 -6.524 1.00 10.00 N ATOM 534 CA ILE A 39 -3.457 3.780 -6.143 1.00 10.00 C ATOM 535 C ILE A 39 -2.511 3.860 -7.338 1.00 10.00 C ATOM 536 O ILE A 39 -2.238 2.882 -8.027 1.00 10.00 O ATOM 537 CB ILE A 39 -3.278 2.492 -5.354 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.169 2.500 -4.110 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.808 2.355 -4.950 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.841 3.563 -3.052 1.00 10.00 C ATOM 0 H ILE A 39 -5.224 3.163 -7.052 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.186 4.613 -5.495 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.568 1.644 -5.975 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.202 2.640 -4.429 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.111 1.518 -3.640 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.671 1.434 -4.384 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.186 2.327 -5.845 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.519 3.206 -4.334 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.537 3.473 -2.218 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.822 3.416 -2.693 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.931 4.556 -3.493 1.00 10.00 H new ATOM 552 N ASP A 40 -1.990 5.065 -7.502 1.00 10.00 N ATOM 553 CA ASP A 40 -1.079 5.504 -8.537 1.00 10.00 C ATOM 554 C ASP A 40 0.338 5.740 -7.968 1.00 10.00 C ATOM 555 O ASP A 40 0.510 5.982 -6.766 1.00 10.00 O ATOM 556 CB ASP A 40 -1.601 6.856 -9.060 1.00 10.00 C ATOM 557 CG ASP A 40 -3.101 7.089 -8.999 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.594 7.182 -7.852 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.696 7.328 -10.069 1.00 10.00 O ATOM 0 H ASP A 40 -2.215 5.823 -6.857 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.025 4.743 -9.316 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.112 7.649 -8.494 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.284 6.963 -10.097 1.00 10.00 H new ATOM 564 N LYS A 41 1.330 5.873 -8.853 1.00 10.00 N ATOM 565 CA LYS A 41 2.624 6.499 -8.560 1.00 10.00 C ATOM 566 C LYS A 41 2.557 7.901 -7.906 1.00 10.00 C ATOM 567 O LYS A 41 3.554 8.352 -7.343 1.00 10.00 O ATOM 568 CB LYS A 41 3.502 6.553 -9.820 1.00 10.00 C ATOM 569 CG LYS A 41 2.969 7.477 -10.930 1.00 10.00 C ATOM 570 CD LYS A 41 4.114 8.191 -11.671 1.00 10.00 C ATOM 571 CE LYS A 41 4.670 9.375 -10.859 1.00 10.00 C ATOM 572 NZ LYS A 41 5.781 10.050 -11.567 1.00 10.00 N ATOM 0 H LYS A 41 1.255 5.541 -9.815 1.00 10.00 H new ATOM 0 HA LYS A 41 3.071 5.851 -7.806 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.501 6.884 -9.537 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.602 5.544 -10.221 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.383 6.893 -11.640 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.298 8.218 -10.496 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.915 7.480 -11.873 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.755 8.549 -12.636 1.00 10.00 H new ATOM 0 HE2 LYS A 41 3.872 10.092 -10.667 1.00 10.00 H new ATOM 0 HE3 LYS A 41 5.019 9.020 -9.889 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 6.130 10.842 -10.990 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 6.553 9.372 -11.728 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 5.442 10.411 -12.481 1.00 10.00 H new ATOM 586 N LYS A 42 1.425 8.611 -8.005 1.00 10.00 N ATOM 587 CA LYS A 42 1.175 9.893 -7.331 1.00 10.00 C ATOM 588 C LYS A 42 0.487 9.733 -5.961 1.00 10.00 C ATOM 589 O LYS A 42 0.221 10.742 -5.309 1.00 10.00 O ATOM 590 CB LYS A 42 0.346 10.829 -8.238 1.00 10.00 C ATOM 591 CG LYS A 42 -1.010 10.213 -8.607 1.00 10.00 C ATOM 592 CD LYS A 42 -2.086 11.218 -9.037 1.00 10.00 C ATOM 593 CE LYS A 42 -3.346 10.395 -9.351 1.00 10.00 C ATOM 594 NZ LYS A 42 -4.513 11.225 -9.705 1.00 10.00 N ATOM 0 H LYS A 42 0.636 8.301 -8.572 1.00 10.00 H new ATOM 0 HA LYS A 42 2.152 10.338 -7.142 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.187 11.780 -7.730 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.907 11.044 -9.148 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.859 9.498 -9.416 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -1.381 9.651 -7.750 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.281 11.941 -8.245 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.763 11.783 -9.911 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -3.131 9.714 -10.174 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -3.595 9.781 -8.486 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -5.328 10.611 -9.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -4.742 11.858 -8.912 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -4.292 11.793 -10.548 1.00 10.00 H new ATOM 608 N SER A 43 0.184 8.499 -5.539 1.00 10.00 N ATOM 609 CA SER A 43 -0.644 8.205 -4.368 1.00 10.00 C ATOM 610 C SER A 43 0.087 7.257 -3.406 1.00 10.00 C ATOM 611 O SER A 43 0.372 7.622 -2.262 1.00 10.00 O ATOM 612 CB SER A 43 -1.991 7.625 -4.832 1.00 10.00 C ATOM 613 OG SER A 43 -2.572 8.474 -5.807 1.00 10.00 O ATOM 0 H SER A 43 0.516 7.660 -6.015 1.00 10.00 H new ATOM 0 HA SER A 43 -0.836 9.126 -3.817 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.844 6.628 -5.247 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.664 7.520 -3.981 1.00 10.00 H new ATOM 0 HG SER A 43 -2.714 7.971 -6.636 1.00 10.00 H new ATOM 619 N ALA A 44 0.438 6.056 -3.890 1.00 10.00 N ATOM 620 CA ALA A 44 1.189 5.050 -3.134 1.00 10.00 C ATOM 621 C ALA A 44 2.466 5.643 -2.542 1.00 10.00 C ATOM 622 O ALA A 44 2.696 5.590 -1.333 1.00 10.00 O ATOM 623 CB ALA A 44 1.560 3.884 -4.056 1.00 10.00 C ATOM 0 H ALA A 44 0.202 5.754 -4.835 1.00 10.00 H new ATOM 0 HA ALA A 44 0.557 4.699 -2.318 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.118 3.137 -3.492 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.652 3.433 -4.455 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.174 4.251 -4.878 1.00 10.00 H new ATOM 629 N HIS A 45 3.278 6.204 -3.442 1.00 10.00 N ATOM 630 CA HIS A 45 4.549 6.858 -3.168 1.00 10.00 C ATOM 631 C HIS A 45 4.393 8.101 -2.294 1.00 10.00 C ATOM 632 O HIS A 45 5.220 8.365 -1.425 1.00 10.00 O ATOM 633 CB HIS A 45 5.147 7.328 -4.491 1.00 10.00 C ATOM 634 CG HIS A 45 5.376 6.286 -5.545 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.594 6.596 -6.858 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.539 4.932 -5.396 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.919 5.462 -7.490 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.888 4.414 -6.649 1.00 10.00 N ATOM 0 H HIS A 45 3.048 6.211 -4.436 1.00 10.00 H new ATOM 0 HA HIS A 45 5.177 6.134 -2.648 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.490 8.092 -4.907 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.101 7.810 -4.279 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.522 7.522 -7.279 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.420 4.370 -4.482 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.173 5.397 -8.538 1.00 10.00 H new ATOM 646 N LYS A 46 3.366 8.900 -2.599 1.00 10.00 N ATOM 647 CA LYS A 46 3.112 10.177 -1.953 1.00 10.00 C ATOM 648 C LYS A 46 2.951 9.962 -0.456 1.00 10.00 C ATOM 649 O LYS A 46 3.700 10.522 0.345 1.00 10.00 O ATOM 650 CB LYS A 46 1.847 10.780 -2.569 1.00 10.00 C ATOM 651 CG LYS A 46 1.566 12.218 -2.113 1.00 10.00 C ATOM 652 CD LYS A 46 1.822 13.246 -3.225 1.00 10.00 C ATOM 653 CE LYS A 46 3.312 13.335 -3.578 1.00 10.00 C ATOM 654 NZ LYS A 46 3.567 14.409 -4.561 1.00 10.00 N ATOM 0 H LYS A 46 2.679 8.667 -3.316 1.00 10.00 H new ATOM 0 HA LYS A 46 3.944 10.865 -2.104 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.939 10.764 -3.655 1.00 10.00 H new ATOM 0 HB3 LYS A 46 0.993 10.153 -2.312 1.00 10.00 H new ATOM 0 HG2 LYS A 46 0.530 12.295 -1.782 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.194 12.453 -1.253 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.253 12.972 -4.113 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.464 14.225 -2.906 1.00 10.00 H new ATOM 0 HE2 LYS A 46 3.892 13.521 -2.674 1.00 10.00 H new ATOM 0 HE3 LYS A 46 3.650 12.381 -3.983 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 4.583 14.445 -4.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 3.032 14.217 -5.432 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 3.266 15.322 -4.164 1.00 10.00 H new ATOM 668 N ASP A 47 1.971 9.123 -0.123 1.00 10.00 N ATOM 669 CA ASP A 47 1.621 8.856 1.259 1.00 10.00 C ATOM 670 C ASP A 47 1.001 7.466 1.457 1.00 10.00 C ATOM 671 O ASP A 47 1.460 6.704 2.308 1.00 10.00 O ATOM 672 CB ASP A 47 0.735 10.006 1.762 1.00 10.00 C ATOM 673 CG ASP A 47 1.032 10.303 3.217 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.055 10.984 3.446 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.297 9.771 4.071 1.00 10.00 O ATOM 0 H ASP A 47 1.405 8.616 -0.803 1.00 10.00 H new ATOM 0 HA ASP A 47 2.526 8.823 1.866 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.908 10.898 1.159 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.316 9.742 1.645 1.00 10.00 H new ATOM 680 N ALA A 48 -0.013 7.138 0.643 1.00 10.00 N ATOM 681 CA ALA A 48 -0.951 6.034 0.845 1.00 10.00 C ATOM 682 C ALA A 48 -0.303 4.695 1.221 1.00 10.00 C ATOM 683 O ALA A 48 -0.801 4.005 2.107 1.00 10.00 O ATOM 684 CB ALA A 48 -1.832 5.899 -0.399 1.00 10.00 C ATOM 0 H ALA A 48 -0.207 7.661 -0.211 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.554 6.289 1.717 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.536 5.078 -0.259 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.383 6.826 -0.557 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.206 5.696 -1.268 1.00 10.00 H new ATOM 690 N CYS A 49 0.804 4.321 0.567 1.00 10.00 N ATOM 691 CA CYS A 49 1.604 3.170 0.988 1.00 10.00 C ATOM 692 C CYS A 49 2.833 3.638 1.771 1.00 10.00 C ATOM 693 O CYS A 49 3.093 3.213 2.897 1.00 10.00 O ATOM 694 CB CYS A 49 2.031 2.328 -0.192 1.00 10.00 C ATOM 695 SG CYS A 49 0.711 1.744 -1.305 1.00 10.00 S ATOM 0 H CYS A 49 1.164 4.802 -0.257 1.00 10.00 H new ATOM 0 HA CYS A 49 0.980 2.551 1.633 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.742 2.906 -0.782 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.565 1.457 0.188 1.00 10.00 H new ATOM 0 HG CYS A 49 1.233 1.040 -2.265 1.00 10.00 H new ATOM 700 N LYS A 50 3.620 4.507 1.140 1.00 10.00 N ATOM 701 CA LYS A 50 4.929 4.893 1.634 1.00 10.00 C ATOM 702 C LYS A 50 4.903 5.483 3.046 1.00 10.00 C ATOM 703 O LYS A 50 5.695 5.050 3.869 1.00 10.00 O ATOM 704 CB LYS A 50 5.636 5.843 0.657 1.00 10.00 C ATOM 705 CG LYS A 50 6.616 5.148 -0.300 1.00 10.00 C ATOM 706 CD LYS A 50 8.031 4.927 0.270 1.00 10.00 C ATOM 707 CE LYS A 50 8.117 3.823 1.335 1.00 10.00 C ATOM 708 NZ LYS A 50 9.519 3.443 1.615 1.00 10.00 N ATOM 0 H LYS A 50 3.360 4.963 0.266 1.00 10.00 H new ATOM 0 HA LYS A 50 5.503 3.969 1.702 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.883 6.368 0.069 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.177 6.597 1.229 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.200 4.182 -0.585 1.00 10.00 H new ATOM 0 HG3 LYS A 50 6.695 5.742 -1.210 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.706 4.679 -0.549 1.00 10.00 H new ATOM 0 HD3 LYS A 50 8.386 5.862 0.703 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.642 4.166 2.254 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.563 2.947 0.997 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.538 2.696 2.338 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.964 3.092 0.743 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.041 4.273 1.961 1.00 10.00 H new ATOM 722 N THR A 51 4.085 6.491 3.352 1.00 10.00 N ATOM 723 CA THR A 51 4.242 7.220 4.619 1.00 10.00 C ATOM 724 C THR A 51 3.967 6.366 5.857 1.00 10.00 C ATOM 725 O THR A 51 4.604 6.569 6.889 1.00 10.00 O ATOM 726 CB THR A 51 3.480 8.542 4.607 1.00 10.00 C ATOM 727 OG1 THR A 51 4.112 9.376 3.656 1.00 10.00 O ATOM 728 CG2 THR A 51 3.542 9.288 5.942 1.00 10.00 C ATOM 0 H THR A 51 3.323 6.818 2.758 1.00 10.00 H new ATOM 0 HA THR A 51 5.299 7.473 4.700 1.00 10.00 H new ATOM 0 HB THR A 51 2.436 8.319 4.387 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.543 10.152 3.472 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.980 10.219 5.865 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.109 8.667 6.726 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.581 9.510 6.187 1.00 10.00 H new ATOM 736 N CYS A 52 3.099 5.356 5.757 1.00 10.00 N ATOM 737 CA CYS A 52 3.007 4.342 6.807 1.00 10.00 C ATOM 738 C CYS A 52 4.359 3.636 6.982 1.00 10.00 C ATOM 739 O CYS A 52 4.978 3.712 8.042 1.00 10.00 O ATOM 740 CB CYS A 52 1.895 3.380 6.499 1.00 10.00 C ATOM 741 SG CYS A 52 1.726 2.219 7.884 1.00 10.00 S ATOM 0 H CYS A 52 2.460 5.220 4.973 1.00 10.00 H new ATOM 0 HA CYS A 52 2.768 4.820 7.757 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.961 3.920 6.343 1.00 10.00 H new ATOM 0 HB3 CYS A 52 2.108 2.839 5.577 1.00 10.00 H new ATOM 0 HG CYS A 52 0.765 1.380 7.633 1.00 10.00 H new ATOM 746 N HIS A 53 4.868 3.034 5.903 1.00 10.00 N ATOM 747 CA HIS A 53 6.198 2.434 5.866 1.00 10.00 C ATOM 748 C HIS A 53 7.300 3.376 6.421 1.00 10.00 C ATOM 749 O HIS A 53 8.178 2.929 7.156 1.00 10.00 O ATOM 750 CB HIS A 53 6.486 2.006 4.416 1.00 10.00 C ATOM 751 CG HIS A 53 5.713 0.830 3.879 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.990 0.202 2.695 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.620 0.212 4.417 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.076 -0.770 2.521 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.209 -0.813 3.542 1.00 10.00 N ATOM 0 H HIS A 53 4.360 2.951 5.023 1.00 10.00 H new ATOM 0 HA HIS A 53 6.215 1.565 6.523 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.295 2.861 3.767 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.549 1.777 4.336 1.00 10.00 H new ATOM 0 HD2 HIS A 53 4.150 0.466 5.355 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.045 -1.431 1.668 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.421 -1.450 3.660 1.00 10.00 H new ATOM 763 N LYS A 54 7.276 4.668 6.058 1.00 10.00 N ATOM 764 CA LYS A 54 8.163 5.698 6.606 1.00 10.00 C ATOM 765 C LYS A 54 8.026 5.811 8.127 1.00 10.00 C ATOM 766 O LYS A 54 9.020 5.779 8.847 1.00 10.00 O ATOM 767 CB LYS A 54 7.881 7.065 6.006 1.00 10.00 C ATOM 768 CG LYS A 54 8.125 7.100 4.505 1.00 10.00 C ATOM 769 CD LYS A 54 8.451 8.547 4.135 1.00 10.00 C ATOM 770 CE LYS A 54 7.906 8.999 2.765 1.00 10.00 C ATOM 771 NZ LYS A 54 6.578 9.668 2.850 1.00 10.00 N ATOM 0 H LYS A 54 6.625 5.030 5.361 1.00 10.00 H new ATOM 0 HA LYS A 54 9.175 5.387 6.348 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.847 7.342 6.210 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.512 7.809 6.492 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.948 6.438 4.233 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.245 6.753 3.964 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.049 9.204 4.906 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.534 8.674 4.140 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.620 9.682 2.305 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.827 8.132 2.109 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 6.214 9.840 1.891 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 5.914 9.057 3.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 6.677 10.574 3.351 1.00 10.00 H new ATOM 859 N LYS A 61 13.073 1.192 -0.289 1.00 10.00 N ATOM 860 CA LYS A 61 13.639 1.108 -1.637 1.00 10.00 C ATOM 861 C LYS A 61 12.562 0.664 -2.635 1.00 10.00 C ATOM 862 O LYS A 61 11.678 -0.107 -2.268 1.00 10.00 O ATOM 863 CB LYS A 61 14.819 0.117 -1.636 1.00 10.00 C ATOM 864 CG LYS A 61 15.863 0.451 -2.710 1.00 10.00 C ATOM 865 CD LYS A 61 16.954 -0.633 -2.711 1.00 10.00 C ATOM 866 CE LYS A 61 18.240 -0.200 -3.431 1.00 10.00 C ATOM 867 NZ LYS A 61 18.022 0.093 -4.865 1.00 10.00 N ATOM 0 HA LYS A 61 14.001 2.090 -1.941 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.295 0.124 -0.656 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.442 -0.893 -1.800 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.389 0.507 -3.690 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.305 1.428 -2.513 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.194 -0.898 -1.681 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.563 -1.531 -3.189 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.645 0.686 -2.941 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.988 -0.987 -3.335 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 18.921 0.380 -5.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.662 -0.758 -5.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 17.330 0.863 -4.961 1.00 10.00 H new ATOM 881 N CYS A 62 12.639 1.123 -3.891 1.00 10.00 N ATOM 882 CA CYS A 62 11.714 0.749 -4.970 1.00 10.00 C ATOM 883 C CYS A 62 11.469 -0.767 -5.015 1.00 10.00 C ATOM 884 O CYS A 62 10.335 -1.237 -4.904 1.00 10.00 O ATOM 885 CB CYS A 62 12.233 1.238 -6.306 1.00 10.00 C ATOM 886 SG CYS A 62 12.941 2.918 -6.261 1.00 10.00 S ATOM 0 H CYS A 62 13.361 1.778 -4.192 1.00 10.00 H new ATOM 0 HA CYS A 62 10.759 1.230 -4.762 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.994 0.544 -6.664 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.418 1.218 -7.029 1.00 10.00 H new ATOM 0 HG CYS A 62 12.822 3.407 -5.062 1.00 10.00 H new ATOM 891 N GLY A 63 12.566 -1.527 -5.113 1.00 10.00 N ATOM 892 CA GLY A 63 12.581 -2.987 -5.126 1.00 10.00 C ATOM 893 C GLY A 63 11.939 -3.641 -3.895 1.00 10.00 C ATOM 894 O GLY A 63 11.573 -4.810 -3.935 1.00 10.00 O ATOM 0 H GLY A 63 13.500 -1.123 -5.188 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.062 -3.335 -6.019 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.614 -3.326 -5.205 1.00 10.00 H new ATOM 898 N GLY A 64 11.779 -2.893 -2.797 1.00 10.00 N ATOM 899 CA GLY A 64 11.036 -3.350 -1.629 1.00 10.00 C ATOM 900 C GLY A 64 9.552 -3.589 -1.928 1.00 10.00 C ATOM 901 O GLY A 64 8.906 -4.377 -1.242 1.00 10.00 O ATOM 0 H GLY A 64 12.164 -1.953 -2.699 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.481 -4.274 -1.259 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.128 -2.611 -0.833 1.00 10.00 H new ATOM 905 N CYS A 65 9.014 -2.901 -2.941 1.00 10.00 N ATOM 906 CA CYS A 65 7.644 -3.087 -3.416 1.00 10.00 C ATOM 907 C CYS A 65 7.616 -3.715 -4.813 1.00 10.00 C ATOM 908 O CYS A 65 6.805 -4.596 -5.071 1.00 10.00 O ATOM 909 CB CYS A 65 6.931 -1.764 -3.429 1.00 10.00 C ATOM 910 SG CYS A 65 6.748 -1.083 -1.751 1.00 10.00 S ATOM 0 H CYS A 65 9.528 -2.189 -3.460 1.00 10.00 H new ATOM 0 HA CYS A 65 7.136 -3.770 -2.735 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.483 -1.059 -4.050 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.947 -1.885 -3.882 1.00 10.00 H new ATOM 0 HG CYS A 65 6.130 0.059 -1.811 1.00 10.00 H new ATOM 915 N HIS A 66 8.469 -3.229 -5.717 1.00 10.00 N ATOM 916 CA HIS A 66 8.431 -3.542 -7.140 1.00 10.00 C ATOM 917 C HIS A 66 9.306 -4.741 -7.537 1.00 10.00 C ATOM 918 O HIS A 66 10.500 -4.755 -7.246 1.00 10.00 O ATOM 919 CB HIS A 66 8.878 -2.283 -7.880 1.00 10.00 C ATOM 920 CG HIS A 66 7.842 -1.211 -7.870 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.776 -1.160 -8.716 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.860 -0.053 -7.154 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.162 0.018 -8.540 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.789 0.739 -7.597 1.00 10.00 N ATOM 0 H HIS A 66 9.224 -2.590 -5.469 1.00 10.00 H new ATOM 0 HA HIS A 66 7.416 -3.838 -7.407 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.792 -1.903 -7.423 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.120 -2.539 -8.911 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.494 -1.891 -9.369 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.570 0.209 -6.384 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.285 0.342 -9.081 1.00 10.00 H new ATOM 932 N ILE A 67 8.727 -5.713 -8.251 1.00 10.00 N ATOM 933 CA ILE A 67 9.396 -6.959 -8.628 1.00 10.00 C ATOM 934 C ILE A 67 9.233 -7.263 -10.117 1.00 10.00 C ATOM 935 O ILE A 67 8.112 -7.282 -10.626 1.00 10.00 O ATOM 936 CB ILE A 67 8.843 -8.149 -7.834 1.00 10.00 C ATOM 937 CG1 ILE A 67 8.224 -7.679 -6.516 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.945 -9.200 -7.635 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.830 -8.826 -5.592 1.00 10.00 C ATOM 0 H ILE A 67 7.766 -5.653 -8.587 1.00 10.00 H new ATOM 0 HA ILE A 67 10.453 -6.818 -8.401 1.00 10.00 H new ATOM 0 HB ILE A 67 8.040 -8.624 -8.398 1.00 10.00 H new ATOM 0 HG12 ILE A 67 8.934 -7.033 -5.999 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.342 -7.076 -6.731 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.546 -10.043 -7.070 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.296 -9.548 -8.607 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.776 -8.756 -7.087 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.398 -8.423 -4.676 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.097 -9.460 -6.091 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.713 -9.416 -5.347 1.00 10.00 H new ATOM 951 N LYS A 68 10.351 -7.576 -10.772 1.00 10.00 N ATOM 952 CA LYS A 68 10.443 -7.945 -12.175 1.00 10.00 C ATOM 953 C LYS A 68 10.492 -6.732 -13.122 1.00 10.00 C ATOM 954 O LYS A 68 10.487 -6.970 -14.350 1.00 10.00 O ATOM 955 CB LYS A 68 9.373 -8.990 -12.534 1.00 10.00 C ATOM 956 CG LYS A 68 9.860 -9.919 -13.649 1.00 10.00 C ATOM 957 CD LYS A 68 8.851 -11.049 -13.900 1.00 10.00 C ATOM 958 CE LYS A 68 8.980 -12.160 -12.846 1.00 10.00 C ATOM 959 NZ LYS A 68 7.867 -13.126 -12.943 1.00 10.00 N ATOM 960 OXT LYS A 68 10.581 -5.595 -12.607 1.00 10.00 O ATOM 0 H LYS A 68 11.260 -7.578 -10.310 1.00 10.00 H new ATOM 0 HA LYS A 68 11.409 -8.426 -12.330 1.00 10.00 H new ATOM 0 HB2 LYS A 68 9.124 -9.577 -11.650 1.00 10.00 H new ATOM 0 HB3 LYS A 68 8.460 -8.486 -12.850 1.00 10.00 H new ATOM 0 HG2 LYS A 68 10.008 -9.348 -14.565 1.00 10.00 H new ATOM 0 HG3 LYS A 68 10.827 -10.343 -13.378 1.00 10.00 H new ATOM 0 HD2 LYS A 68 7.839 -10.645 -13.883 1.00 10.00 H new ATOM 0 HD3 LYS A 68 9.011 -11.468 -14.894 1.00 10.00 H new ATOM 0 HE2 LYS A 68 9.928 -12.681 -12.978 1.00 10.00 H new ATOM 0 HE3 LYS A 68 8.995 -11.718 -11.850 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.983 -13.863 -12.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.964 -12.632 -12.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 7.869 -13.564 -13.886 1.00 10.00 H new