USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 40 SER OG : rot 44:sc= 0.353 USER MOD Set 1.2: A 42 ASN : amide:sc= 0.13 K(o=0.48,f=1.9) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 97:sc= 0.0626 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.83) USER MOD Single : A 35 ASN : amide:sc=-0.000457 X(o=-0.00046,f=0) USER MOD Single : A 37 THR OG1 : rot 172:sc=0.000312 USER MOD Single : A 44 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.11) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 0.249 (180deg=0.0379) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.13) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0.0302 (180deg=-0.139) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= 0.971 (180deg=-0.11) USER MOD Single : A 62 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.2!) USER MOD Single : A 63 CYS SG : rot 70:sc= 0.306 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 80:sc= 0.515 USER MOD Single : A 76 MET CE :methyl -111:sc= -1.3 (180deg=-1.77!) USER MOD Single : A 77 HIS : no HD1:sc= -0.991 K(o=-0.99,f=-1.6) USER MOD Single : A 81 TYR OH : rot -86:sc= 0.159 USER MOD Single : A 82 THR OG1 : rot 54:sc= 0.055 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 19:sc= 0.348 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot -101:sc= 0.0261 USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= -0.993 (180deg=-3.21!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 148:sc= -1.95 (180deg=-2.52) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0934 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.120 12.720 -6.670 1.00 0.00 N ATOM 21 CA LEU A 2 -4.788 11.296 -6.439 1.00 0.00 C ATOM 22 C LEU A 2 -5.902 10.319 -6.862 1.00 0.00 C ATOM 23 O LEU A 2 -5.687 9.111 -6.788 1.00 0.00 O ATOM 24 CB LEU A 2 -4.356 11.039 -4.959 1.00 0.00 C ATOM 25 CG LEU A 2 -5.449 10.645 -3.912 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.785 10.154 -2.614 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.435 11.788 -3.618 1.00 0.00 C ATOM 0 HA LEU A 2 -3.940 11.089 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.606 10.248 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.863 11.942 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.034 9.836 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.555 9.882 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.166 9.283 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.163 10.948 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.170 11.455 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.891 12.646 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.945 12.075 -4.538 1.00 0.00 H new ATOM 39 N GLU A 3 -7.081 10.818 -7.288 1.00 0.00 N ATOM 40 CA GLU A 3 -8.228 9.933 -7.635 1.00 0.00 C ATOM 41 C GLU A 3 -7.851 8.930 -8.758 1.00 0.00 C ATOM 42 O GLU A 3 -8.274 7.779 -8.735 1.00 0.00 O ATOM 43 CB GLU A 3 -9.518 10.730 -8.017 1.00 0.00 C ATOM 44 CG GLU A 3 -9.453 11.583 -9.306 1.00 0.00 C ATOM 45 CD GLU A 3 -8.509 12.792 -9.203 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.871 13.778 -8.525 1.00 0.00 O ATOM 47 OE2 GLU A 3 -7.387 12.754 -9.752 1.00 0.00 O ATOM 0 H GLU A 3 -7.269 11.814 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.459 9.370 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.338 10.020 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.769 11.389 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.130 10.951 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.455 11.936 -9.548 1.00 0.00 H new ATOM 54 N ASP A 4 -7.014 9.382 -9.709 1.00 0.00 N ATOM 55 CA ASP A 4 -6.505 8.538 -10.817 1.00 0.00 C ATOM 56 C ASP A 4 -5.334 7.625 -10.363 1.00 0.00 C ATOM 57 O ASP A 4 -5.006 6.647 -11.042 1.00 0.00 O ATOM 58 CB ASP A 4 -6.092 9.431 -12.016 1.00 0.00 C ATOM 59 CG ASP A 4 -7.298 10.165 -12.649 1.00 0.00 C ATOM 60 OD1 ASP A 4 -8.115 9.503 -13.328 1.00 0.00 O ATOM 61 OD2 ASP A 4 -7.445 11.391 -12.468 1.00 0.00 O ATOM 0 H ASP A 4 -6.669 10.341 -9.735 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.310 7.876 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.358 10.165 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.607 8.816 -12.773 1.00 0.00 H new ATOM 66 N TYR A 5 -4.725 7.943 -9.199 1.00 0.00 N ATOM 67 CA TYR A 5 -3.688 7.088 -8.548 1.00 0.00 C ATOM 68 C TYR A 5 -4.341 5.869 -7.843 1.00 0.00 C ATOM 69 O TYR A 5 -3.635 5.038 -7.253 1.00 0.00 O ATOM 70 CB TYR A 5 -2.846 7.915 -7.520 1.00 0.00 C ATOM 71 CG TYR A 5 -1.864 8.944 -8.120 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.207 9.735 -9.220 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.586 9.122 -7.570 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.320 10.651 -9.749 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.302 10.036 -8.100 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.069 10.796 -9.189 1.00 0.00 C ATOM 77 OH TYR A 5 0.810 11.720 -9.714 1.00 0.00 O ATOM 0 H TYR A 5 -4.933 8.796 -8.680 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.021 6.723 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.533 8.442 -6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.279 7.219 -6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.185 9.627 -9.665 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.291 8.532 -6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.606 11.252 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.283 10.155 -7.664 1.00 0.00 H new ATOM 0 HH TYR A 5 1.648 11.700 -9.206 1.00 0.00 H new ATOM 87 N ALA A 6 -5.700 5.803 -7.871 1.00 0.00 N ATOM 88 CA ALA A 6 -6.472 4.642 -7.387 1.00 0.00 C ATOM 89 C ALA A 6 -6.306 3.471 -8.361 1.00 0.00 C ATOM 90 O ALA A 6 -7.052 3.343 -9.343 1.00 0.00 O ATOM 91 CB ALA A 6 -7.964 5.002 -7.209 1.00 0.00 C ATOM 0 H ALA A 6 -6.284 6.557 -8.231 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.087 4.348 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.509 4.128 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.059 5.811 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.378 5.321 -8.165 1.00 0.00 H new ATOM 97 N ILE A 7 -5.274 2.663 -8.112 1.00 0.00 N ATOM 98 CA ILE A 7 -4.962 1.500 -8.942 1.00 0.00 C ATOM 99 C ILE A 7 -5.867 0.323 -8.520 1.00 0.00 C ATOM 100 O ILE A 7 -6.012 0.036 -7.322 1.00 0.00 O ATOM 101 CB ILE A 7 -3.432 1.123 -8.847 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.547 2.380 -9.186 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.095 -0.070 -9.775 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.055 2.121 -9.358 1.00 0.00 C ATOM 0 H ILE A 7 -4.632 2.797 -7.330 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.159 1.739 -9.987 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.211 0.812 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.926 2.829 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.679 3.116 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.035 -0.309 -9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.687 -0.937 -9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.326 0.195 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.547 3.058 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.649 1.706 -8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.900 1.414 -10.173 1.00 0.00 H new ATOM 116 N SER A 8 -6.522 -0.297 -9.516 1.00 0.00 N ATOM 117 CA SER A 8 -7.389 -1.472 -9.318 1.00 0.00 C ATOM 118 C SER A 8 -6.548 -2.769 -9.291 1.00 0.00 C ATOM 119 O SER A 8 -5.454 -2.819 -9.870 1.00 0.00 O ATOM 120 CB SER A 8 -8.436 -1.526 -10.449 1.00 0.00 C ATOM 121 OG SER A 8 -9.172 -0.311 -10.531 1.00 0.00 O ATOM 0 H SER A 8 -6.465 0.005 -10.489 1.00 0.00 H new ATOM 0 HA SER A 8 -7.900 -1.386 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.938 -1.717 -11.400 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.120 -2.357 -10.275 1.00 0.00 H new ATOM 0 HG SER A 8 -8.780 0.263 -11.222 1.00 0.00 H new ATOM 127 N LEU A 9 -7.070 -3.818 -8.632 1.00 0.00 N ATOM 128 CA LEU A 9 -6.365 -5.112 -8.487 1.00 0.00 C ATOM 129 C LEU A 9 -6.232 -5.861 -9.846 1.00 0.00 C ATOM 130 O LEU A 9 -5.300 -6.646 -10.043 1.00 0.00 O ATOM 131 CB LEU A 9 -7.080 -5.981 -7.406 1.00 0.00 C ATOM 132 CG LEU A 9 -6.473 -7.394 -7.113 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.949 -7.327 -6.861 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.200 -8.078 -5.929 1.00 0.00 C ATOM 0 H LEU A 9 -7.987 -3.798 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.346 -4.915 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.093 -5.418 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.118 -6.115 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.628 -8.001 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.569 -8.329 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.452 -6.919 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.750 -6.686 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.758 -9.058 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.098 -7.463 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.257 -8.196 -6.170 1.00 0.00 H new ATOM 146 N GLU A 10 -7.128 -5.568 -10.793 1.00 0.00 N ATOM 147 CA GLU A 10 -7.132 -6.194 -12.138 1.00 0.00 C ATOM 148 C GLU A 10 -6.390 -5.319 -13.182 1.00 0.00 C ATOM 149 O GLU A 10 -6.510 -5.550 -14.390 1.00 0.00 O ATOM 150 CB GLU A 10 -8.591 -6.520 -12.597 1.00 0.00 C ATOM 151 CG GLU A 10 -9.616 -5.365 -12.453 1.00 0.00 C ATOM 152 CD GLU A 10 -10.335 -5.326 -11.079 1.00 0.00 C ATOM 153 OE1 GLU A 10 -9.824 -4.685 -10.126 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.423 -5.930 -10.949 1.00 0.00 O ATOM 0 H GLU A 10 -7.877 -4.889 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.586 -7.134 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.563 -6.828 -13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.951 -7.374 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.103 -4.416 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.364 -5.457 -13.240 1.00 0.00 H new ATOM 161 N GLU A 11 -5.594 -4.339 -12.709 1.00 0.00 N ATOM 162 CA GLU A 11 -4.694 -3.537 -13.579 1.00 0.00 C ATOM 163 C GLU A 11 -3.321 -3.326 -12.906 1.00 0.00 C ATOM 164 O GLU A 11 -2.419 -2.734 -13.509 1.00 0.00 O ATOM 165 CB GLU A 11 -5.320 -2.155 -13.915 1.00 0.00 C ATOM 166 CG GLU A 11 -5.507 -1.240 -12.690 1.00 0.00 C ATOM 167 CD GLU A 11 -5.986 0.172 -13.041 1.00 0.00 C ATOM 168 OE1 GLU A 11 -5.170 0.965 -13.552 1.00 0.00 O ATOM 169 OE2 GLU A 11 -7.169 0.496 -12.795 1.00 0.00 O ATOM 0 H GLU A 11 -5.553 -4.079 -11.724 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.557 -4.096 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.686 -1.647 -14.642 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.288 -2.312 -14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.226 -1.699 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.561 -1.170 -12.153 1.00 0.00 H new ATOM 176 N VAL A 12 -3.168 -3.808 -11.656 1.00 0.00 N ATOM 177 CA VAL A 12 -1.967 -3.538 -10.841 1.00 0.00 C ATOM 178 C VAL A 12 -0.782 -4.431 -11.256 1.00 0.00 C ATOM 179 O VAL A 12 -0.968 -5.546 -11.763 1.00 0.00 O ATOM 180 CB VAL A 12 -2.267 -3.717 -9.304 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.541 -5.185 -8.925 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.149 -3.108 -8.422 1.00 0.00 C ATOM 0 H VAL A 12 -3.864 -4.388 -11.188 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.689 -2.500 -11.023 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.183 -3.161 -9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.742 -5.253 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.405 -5.549 -9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.670 -5.793 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.396 -3.253 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.202 -3.600 -8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.062 -2.042 -8.630 1.00 0.00 H new ATOM 192 N ASN A 13 0.433 -3.899 -11.072 1.00 0.00 N ATOM 193 CA ASN A 13 1.688 -4.646 -11.201 1.00 0.00 C ATOM 194 C ASN A 13 2.532 -4.356 -9.950 1.00 0.00 C ATOM 195 O ASN A 13 3.283 -3.384 -9.929 1.00 0.00 O ATOM 196 CB ASN A 13 2.462 -4.240 -12.496 1.00 0.00 C ATOM 197 CG ASN A 13 1.663 -4.467 -13.783 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.693 -5.549 -14.363 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.937 -3.451 -14.236 1.00 0.00 N ATOM 0 H ASN A 13 0.573 -2.919 -10.825 1.00 0.00 H new ATOM 0 HA ASN A 13 1.478 -5.712 -11.282 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.738 -3.187 -12.430 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.390 -4.810 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.385 -3.558 -15.087 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.932 -2.564 -13.733 1.00 0.00 H new ATOM 206 N PHE A 14 2.362 -5.175 -8.888 1.00 0.00 N ATOM 207 CA PHE A 14 3.026 -4.936 -7.580 1.00 0.00 C ATOM 208 C PHE A 14 4.563 -4.895 -7.707 1.00 0.00 C ATOM 209 O PHE A 14 5.214 -4.112 -7.022 1.00 0.00 O ATOM 210 CB PHE A 14 2.602 -5.990 -6.516 1.00 0.00 C ATOM 211 CG PHE A 14 1.142 -5.889 -6.074 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.681 -4.752 -5.426 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.239 -6.923 -6.301 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.633 -4.653 -5.017 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.076 -6.823 -5.893 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.512 -5.686 -5.252 1.00 0.00 C ATOM 0 H PHE A 14 1.772 -6.007 -8.908 1.00 0.00 H new ATOM 0 HA PHE A 14 2.691 -3.955 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.779 -6.987 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.242 -5.882 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.360 -3.933 -5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.572 -7.818 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.973 -3.762 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.762 -7.637 -6.077 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.541 -5.604 -4.934 1.00 0.00 H new ATOM 226 N ASN A 15 5.122 -5.712 -8.614 1.00 0.00 N ATOM 227 CA ASN A 15 6.585 -5.764 -8.858 1.00 0.00 C ATOM 228 C ASN A 15 7.113 -4.423 -9.425 1.00 0.00 C ATOM 229 O ASN A 15 8.266 -4.050 -9.190 1.00 0.00 O ATOM 230 CB ASN A 15 6.947 -6.920 -9.827 1.00 0.00 C ATOM 231 CG ASN A 15 6.462 -8.296 -9.368 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.266 -8.547 -8.176 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.288 -9.209 -10.316 1.00 0.00 N ATOM 0 H ASN A 15 4.584 -6.353 -9.198 1.00 0.00 H new ATOM 0 HA ASN A 15 7.064 -5.945 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.521 -6.705 -10.807 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.030 -6.951 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.984 -10.150 -10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.459 -8.969 -11.293 1.00 0.00 H new ATOM 240 N ASP A 16 6.232 -3.710 -10.150 1.00 0.00 N ATOM 241 CA ASP A 16 6.555 -2.436 -10.826 1.00 0.00 C ATOM 242 C ASP A 16 6.720 -1.277 -9.812 1.00 0.00 C ATOM 243 O ASP A 16 7.464 -0.322 -10.072 1.00 0.00 O ATOM 244 CB ASP A 16 5.437 -2.100 -11.858 1.00 0.00 C ATOM 245 CG ASP A 16 5.785 -0.950 -12.818 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.754 -1.090 -13.592 1.00 0.00 O ATOM 247 OD2 ASP A 16 5.080 0.082 -12.832 1.00 0.00 O ATOM 0 H ASP A 16 5.265 -4.004 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 16 7.508 -2.553 -11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.220 -2.993 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.526 -1.843 -11.318 1.00 0.00 H new ATOM 252 N PHE A 17 6.025 -1.366 -8.653 1.00 0.00 N ATOM 253 CA PHE A 17 6.018 -0.286 -7.630 1.00 0.00 C ATOM 254 C PHE A 17 6.622 -0.821 -6.312 1.00 0.00 C ATOM 255 O PHE A 17 6.425 -1.990 -5.980 1.00 0.00 O ATOM 256 CB PHE A 17 4.564 0.241 -7.351 1.00 0.00 C ATOM 257 CG PHE A 17 3.582 0.175 -8.530 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.728 0.997 -9.636 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.512 -0.721 -8.522 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.844 0.931 -10.695 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.628 -0.789 -9.583 1.00 0.00 C ATOM 262 CZ PHE A 17 1.796 0.037 -10.670 1.00 0.00 C ATOM 0 H PHE A 17 5.459 -2.176 -8.400 1.00 0.00 H new ATOM 0 HA PHE A 17 6.613 0.542 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.145 -0.331 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.633 1.277 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.546 1.701 -9.670 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.372 -1.373 -7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.975 1.583 -11.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.807 -1.490 -9.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.109 -0.015 -11.501 1.00 0.00 H new ATOM 272 N ILE A 18 7.354 0.028 -5.559 1.00 0.00 N ATOM 273 CA ILE A 18 7.739 -0.288 -4.169 1.00 0.00 C ATOM 274 C ILE A 18 6.459 -0.262 -3.311 1.00 0.00 C ATOM 275 O ILE A 18 5.918 0.808 -3.035 1.00 0.00 O ATOM 276 CB ILE A 18 8.786 0.735 -3.576 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.066 0.832 -4.468 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.157 0.359 -2.113 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.074 1.877 -4.005 1.00 0.00 C ATOM 0 H ILE A 18 7.688 0.933 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 18 8.217 -1.268 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 18 8.317 1.719 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.554 -0.142 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.766 1.061 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.879 1.077 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.260 0.376 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.592 -0.640 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.931 1.879 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.606 2.861 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.407 1.639 -2.995 1.00 0.00 H new ATOM 291 N VAL A 19 5.966 -1.439 -2.915 1.00 0.00 N ATOM 292 CA VAL A 19 4.660 -1.549 -2.255 1.00 0.00 C ATOM 293 C VAL A 19 4.819 -1.222 -0.755 1.00 0.00 C ATOM 294 O VAL A 19 5.897 -1.412 -0.181 1.00 0.00 O ATOM 295 CB VAL A 19 4.025 -2.984 -2.471 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.541 -3.020 -2.066 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.191 -3.474 -3.929 1.00 0.00 C ATOM 0 H VAL A 19 6.450 -2.328 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 19 3.973 -0.831 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 19 4.573 -3.664 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.143 -4.022 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.445 -2.759 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.982 -2.305 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.742 -4.462 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.697 -2.777 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.251 -3.529 -4.176 1.00 0.00 H new ATOM 307 N VAL A 20 3.756 -0.682 -0.141 1.00 0.00 N ATOM 308 CA VAL A 20 3.695 -0.393 1.304 1.00 0.00 C ATOM 309 C VAL A 20 2.357 -0.901 1.850 1.00 0.00 C ATOM 310 O VAL A 20 1.294 -0.551 1.329 1.00 0.00 O ATOM 311 CB VAL A 20 3.863 1.150 1.616 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.554 1.487 3.097 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.282 1.647 1.241 1.00 0.00 C ATOM 0 H VAL A 20 2.902 -0.430 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 20 4.525 -0.904 1.791 1.00 0.00 H new ATOM 0 HB VAL A 20 3.133 1.672 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.683 2.557 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.526 1.206 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.235 0.936 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.367 2.710 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.025 1.094 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.454 1.487 0.177 1.00 0.00 H new ATOM 323 N ASP A 21 2.425 -1.754 2.881 1.00 0.00 N ATOM 324 CA ASP A 21 1.237 -2.244 3.589 1.00 0.00 C ATOM 325 C ASP A 21 0.831 -1.170 4.607 1.00 0.00 C ATOM 326 O ASP A 21 1.511 -1.027 5.610 1.00 0.00 O ATOM 327 CB ASP A 21 1.574 -3.592 4.307 1.00 0.00 C ATOM 328 CG ASP A 21 0.329 -4.347 4.814 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.189 -4.037 5.904 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.138 -5.258 4.101 1.00 0.00 O ATOM 0 H ASP A 21 3.303 -2.122 3.246 1.00 0.00 H new ATOM 0 HA ASP A 21 0.415 -2.430 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.123 -4.234 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.235 -3.390 5.150 1.00 0.00 H new ATOM 335 N VAL A 22 -0.244 -0.398 4.311 1.00 0.00 N ATOM 336 CA VAL A 22 -0.741 0.674 5.215 1.00 0.00 C ATOM 337 C VAL A 22 -1.959 0.188 6.000 1.00 0.00 C ATOM 338 O VAL A 22 -3.119 0.421 5.626 1.00 0.00 O ATOM 339 CB VAL A 22 -1.082 2.013 4.452 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.211 2.757 4.054 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.984 1.737 3.215 1.00 0.00 C ATOM 0 H VAL A 22 -0.785 -0.497 3.452 1.00 0.00 H new ATOM 0 HA VAL A 22 0.071 0.902 5.906 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.644 2.658 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.046 3.677 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.783 2.998 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.810 2.122 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.204 2.677 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.466 1.067 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.916 1.274 3.540 1.00 0.00 H new ATOM 351 N ARG A 23 -1.693 -0.518 7.097 1.00 0.00 N ATOM 352 CA ARG A 23 -2.754 -1.109 7.922 1.00 0.00 C ATOM 353 C ARG A 23 -2.326 -1.109 9.403 1.00 0.00 C ATOM 354 O ARG A 23 -2.642 -0.166 10.144 1.00 0.00 O ATOM 355 CB ARG A 23 -3.124 -2.546 7.422 1.00 0.00 C ATOM 356 CG ARG A 23 -3.783 -2.629 6.014 1.00 0.00 C ATOM 357 CD ARG A 23 -4.217 -4.057 5.627 1.00 0.00 C ATOM 358 NE ARG A 23 -3.087 -4.989 5.459 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.154 -6.331 5.585 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.248 -6.930 6.038 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.084 -7.050 5.321 1.00 0.00 N ATOM 0 H ARG A 23 -0.749 -0.697 7.439 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.654 -0.502 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.217 -3.151 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.802 -2.998 8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.653 -1.973 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.080 -2.256 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.887 -4.445 6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.786 -4.016 4.698 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.179 -4.586 5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.062 -6.374 6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.275 -7.946 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.222 -6.592 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.117 -8.065 5.411 1.00 0.00 H new ATOM 375 N GLU A 24 -1.546 -2.130 9.802 1.00 0.00 N ATOM 376 CA GLU A 24 -1.191 -2.380 11.220 1.00 0.00 C ATOM 377 C GLU A 24 -0.135 -3.513 11.267 1.00 0.00 C ATOM 378 O GLU A 24 0.053 -4.227 10.271 1.00 0.00 O ATOM 379 CB GLU A 24 -2.494 -2.765 12.041 1.00 0.00 C ATOM 380 CG GLU A 24 -2.597 -2.215 13.490 1.00 0.00 C ATOM 381 CD GLU A 24 -1.610 -2.847 14.486 1.00 0.00 C ATOM 382 OE1 GLU A 24 -1.816 -4.017 14.867 1.00 0.00 O ATOM 383 OE2 GLU A 24 -0.609 -2.194 14.871 1.00 0.00 O ATOM 0 H GLU A 24 -1.142 -2.807 9.155 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.769 -1.484 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.363 -2.416 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.559 -3.852 12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.431 -1.138 13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.612 -2.374 13.854 1.00 0.00 H new ATOM 390 N LEU A 25 0.547 -3.657 12.420 1.00 0.00 N ATOM 391 CA LEU A 25 1.464 -4.775 12.693 1.00 0.00 C ATOM 392 C LEU A 25 0.740 -6.128 12.539 1.00 0.00 C ATOM 393 O LEU A 25 1.198 -6.976 11.791 1.00 0.00 O ATOM 394 CB LEU A 25 2.055 -4.641 14.123 1.00 0.00 C ATOM 395 CG LEU A 25 2.988 -5.801 14.616 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.253 -5.929 13.742 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.357 -5.625 16.110 1.00 0.00 C ATOM 0 H LEU A 25 0.475 -2.994 13.192 1.00 0.00 H new ATOM 0 HA LEU A 25 2.277 -4.739 11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.618 -3.709 14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.227 -4.550 14.825 1.00 0.00 H new ATOM 0 HG LEU A 25 2.429 -6.731 14.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.873 -6.744 14.116 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.964 -6.137 12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.817 -4.997 13.780 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.004 -6.444 16.424 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.878 -4.677 16.247 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.448 -5.630 16.712 1.00 0.00 H new ATOM 409 N ASP A 26 -0.414 -6.278 13.217 1.00 0.00 N ATOM 410 CA ASP A 26 -1.226 -7.528 13.211 1.00 0.00 C ATOM 411 C ASP A 26 -1.634 -7.932 11.777 1.00 0.00 C ATOM 412 O ASP A 26 -1.636 -9.121 11.428 1.00 0.00 O ATOM 413 CB ASP A 26 -2.480 -7.332 14.101 1.00 0.00 C ATOM 414 CG ASP A 26 -3.374 -8.584 14.226 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.134 -9.413 15.131 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.324 -8.746 13.424 1.00 0.00 O ATOM 0 H ASP A 26 -0.818 -5.537 13.789 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.618 -8.338 13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.160 -7.028 15.098 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.075 -6.514 13.694 1.00 0.00 H new ATOM 421 N GLU A 27 -1.940 -6.913 10.965 1.00 0.00 N ATOM 422 CA GLU A 27 -2.327 -7.060 9.551 1.00 0.00 C ATOM 423 C GLU A 27 -1.154 -7.585 8.687 1.00 0.00 C ATOM 424 O GLU A 27 -1.350 -8.386 7.769 1.00 0.00 O ATOM 425 CB GLU A 27 -2.796 -5.691 9.032 1.00 0.00 C ATOM 426 CG GLU A 27 -4.047 -5.131 9.725 1.00 0.00 C ATOM 427 CD GLU A 27 -5.339 -5.866 9.350 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.771 -5.740 8.180 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.945 -6.531 10.221 1.00 0.00 O ATOM 0 H GLU A 27 -1.926 -5.942 11.276 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.131 -7.792 9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.982 -4.976 9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.996 -5.773 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.909 -5.185 10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.152 -4.077 9.470 1.00 0.00 H new ATOM 436 N TYR A 28 0.057 -7.101 8.991 1.00 0.00 N ATOM 437 CA TYR A 28 1.308 -7.575 8.372 1.00 0.00 C ATOM 438 C TYR A 28 1.575 -9.056 8.748 1.00 0.00 C ATOM 439 O TYR A 28 1.966 -9.869 7.894 1.00 0.00 O ATOM 440 CB TYR A 28 2.465 -6.656 8.840 1.00 0.00 C ATOM 441 CG TYR A 28 3.882 -7.053 8.381 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.672 -7.921 9.143 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.444 -6.525 7.216 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.946 -8.249 8.758 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.728 -6.856 6.832 1.00 0.00 C ATOM 446 CZ TYR A 28 6.471 -7.718 7.605 1.00 0.00 C ATOM 447 OH TYR A 28 7.742 -8.065 7.212 1.00 0.00 O ATOM 0 H TYR A 28 0.201 -6.362 9.680 1.00 0.00 H new ATOM 0 HA TYR A 28 1.229 -7.530 7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.262 -5.645 8.488 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.455 -6.622 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.270 -8.341 10.053 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.865 -5.847 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.536 -8.924 9.360 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.148 -6.440 5.928 1.00 0.00 H new ATOM 0 HH TYR A 28 7.963 -7.604 6.376 1.00 0.00 H new ATOM 457 N GLU A 29 1.336 -9.370 10.040 1.00 0.00 N ATOM 458 CA GLU A 29 1.631 -10.682 10.651 1.00 0.00 C ATOM 459 C GLU A 29 0.756 -11.812 10.049 1.00 0.00 C ATOM 460 O GLU A 29 1.248 -12.936 9.851 1.00 0.00 O ATOM 461 CB GLU A 29 1.414 -10.608 12.195 1.00 0.00 C ATOM 462 CG GLU A 29 2.308 -9.592 12.954 1.00 0.00 C ATOM 463 CD GLU A 29 3.785 -9.997 13.102 1.00 0.00 C ATOM 464 OE1 GLU A 29 4.584 -9.760 12.170 1.00 0.00 O ATOM 465 OE2 GLU A 29 4.156 -10.554 14.165 1.00 0.00 O ATOM 0 H GLU A 29 0.926 -8.707 10.698 1.00 0.00 H new ATOM 0 HA GLU A 29 2.672 -10.921 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.370 -10.358 12.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.586 -11.599 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.261 -8.634 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.890 -9.437 13.948 1.00 0.00 H new ATOM 472 N GLU A 30 -0.541 -11.508 9.781 1.00 0.00 N ATOM 473 CA GLU A 30 -1.477 -12.489 9.182 1.00 0.00 C ATOM 474 C GLU A 30 -1.094 -12.804 7.717 1.00 0.00 C ATOM 475 O GLU A 30 -0.930 -13.982 7.357 1.00 0.00 O ATOM 476 CB GLU A 30 -2.977 -12.028 9.293 1.00 0.00 C ATOM 477 CG GLU A 30 -3.272 -10.566 8.880 1.00 0.00 C ATOM 478 CD GLU A 30 -4.765 -10.228 8.610 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.661 -10.894 9.174 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.044 -9.312 7.794 1.00 0.00 O ATOM 0 H GLU A 30 -0.958 -10.596 9.970 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.386 -13.408 9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.586 -12.688 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.303 -12.166 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.906 -9.905 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.699 -10.340 7.981 1.00 0.00 H new ATOM 487 N LEU A 31 -0.910 -11.746 6.894 1.00 0.00 N ATOM 488 CA LEU A 31 -0.513 -11.875 5.470 1.00 0.00 C ATOM 489 C LEU A 31 -0.236 -10.494 4.857 1.00 0.00 C ATOM 490 O LEU A 31 -0.810 -9.492 5.282 1.00 0.00 O ATOM 491 CB LEU A 31 -1.565 -12.686 4.618 1.00 0.00 C ATOM 492 CG LEU A 31 -2.984 -12.077 4.269 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.581 -11.205 5.382 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.995 -11.341 2.922 1.00 0.00 C ATOM 0 H LEU A 31 -1.032 -10.780 7.196 1.00 0.00 H new ATOM 0 HA LEU A 31 0.411 -12.453 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.084 -12.934 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.742 -13.625 5.142 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.638 -12.944 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.553 -10.826 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.701 -11.801 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.914 -10.368 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.992 -10.944 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.277 -10.521 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.724 -12.035 2.126 1.00 0.00 H new ATOM 506 N HIS A 32 0.647 -10.460 3.846 1.00 0.00 N ATOM 507 CA HIS A 32 1.026 -9.222 3.125 1.00 0.00 C ATOM 508 C HIS A 32 1.894 -9.594 1.906 1.00 0.00 C ATOM 509 O HIS A 32 2.199 -10.764 1.704 1.00 0.00 O ATOM 510 CB HIS A 32 1.803 -8.249 4.067 1.00 0.00 C ATOM 511 CG HIS A 32 3.164 -8.761 4.449 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.350 -9.927 5.151 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.399 -8.321 4.131 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.636 -10.176 5.232 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.290 -9.221 4.625 1.00 0.00 N ATOM 0 H HIS A 32 1.124 -11.293 3.500 1.00 0.00 H new ATOM 0 HA HIS A 32 0.123 -8.713 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.910 -7.283 3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.217 -8.082 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.636 -7.420 3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.081 -11.030 5.720 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.304 -9.161 4.536 1.00 0.00 H new ATOM 524 N LEU A 33 2.303 -8.592 1.117 1.00 0.00 N ATOM 525 CA LEU A 33 3.227 -8.782 -0.028 1.00 0.00 C ATOM 526 C LEU A 33 4.696 -8.721 0.441 1.00 0.00 C ATOM 527 O LEU A 33 5.014 -7.921 1.312 1.00 0.00 O ATOM 528 CB LEU A 33 2.957 -7.679 -1.077 1.00 0.00 C ATOM 529 CG LEU A 33 1.580 -7.782 -1.797 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.131 -6.416 -2.337 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.611 -8.843 -2.927 1.00 0.00 C ATOM 0 H LEU A 33 2.008 -7.624 1.247 1.00 0.00 H new ATOM 0 HA LEU A 33 3.055 -9.763 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.022 -6.708 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.747 -7.711 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 33 0.848 -8.106 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.167 -6.520 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.039 -5.711 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.868 -6.046 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.635 -8.890 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.366 -8.568 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.854 -9.818 -2.504 1.00 0.00 H new ATOM 543 N PRO A 34 5.625 -9.531 -0.158 1.00 0.00 N ATOM 544 CA PRO A 34 7.067 -9.500 0.207 1.00 0.00 C ATOM 545 C PRO A 34 7.744 -8.186 -0.259 1.00 0.00 C ATOM 546 O PRO A 34 8.838 -7.846 0.191 1.00 0.00 O ATOM 547 CB PRO A 34 7.648 -10.740 -0.522 1.00 0.00 C ATOM 548 CG PRO A 34 6.726 -10.965 -1.685 1.00 0.00 C ATOM 549 CD PRO A 34 5.354 -10.508 -1.242 1.00 0.00 C ATOM 0 HA PRO A 34 7.234 -9.529 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.670 -10.560 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.676 -11.609 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.059 -10.403 -2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.711 -12.017 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.803 -10.049 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.753 -11.344 -0.883 1.00 0.00 H new ATOM 557 N ASN A 35 7.055 -7.469 -1.170 1.00 0.00 N ATOM 558 CA ASN A 35 7.483 -6.161 -1.698 1.00 0.00 C ATOM 559 C ASN A 35 6.857 -5.003 -0.881 1.00 0.00 C ATOM 560 O ASN A 35 7.061 -3.829 -1.224 1.00 0.00 O ATOM 561 CB ASN A 35 7.056 -6.050 -3.192 1.00 0.00 C ATOM 562 CG ASN A 35 7.642 -7.163 -4.075 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.736 -7.030 -4.625 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.918 -8.271 -4.215 1.00 0.00 N ATOM 0 H ASN A 35 6.171 -7.790 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 35 8.567 -6.084 -1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.968 -6.080 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.371 -5.082 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.266 -9.038 -4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.015 -8.353 -3.747 1.00 0.00 H new ATOM 571 N ALA A 36 6.091 -5.342 0.192 1.00 0.00 N ATOM 572 CA ALA A 36 5.344 -4.358 1.009 1.00 0.00 C ATOM 573 C ALA A 36 6.108 -3.986 2.298 1.00 0.00 C ATOM 574 O ALA A 36 6.441 -4.862 3.102 1.00 0.00 O ATOM 575 CB ALA A 36 3.938 -4.888 1.355 1.00 0.00 C ATOM 0 H ALA A 36 5.977 -6.304 0.510 1.00 0.00 H new ATOM 0 HA ALA A 36 5.241 -3.453 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.408 -4.149 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.383 -5.074 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.028 -5.816 1.919 1.00 0.00 H new ATOM 581 N THR A 37 6.356 -2.674 2.472 1.00 0.00 N ATOM 582 CA THR A 37 6.968 -2.102 3.682 1.00 0.00 C ATOM 583 C THR A 37 5.893 -1.960 4.786 1.00 0.00 C ATOM 584 O THR A 37 4.796 -1.462 4.513 1.00 0.00 O ATOM 585 CB THR A 37 7.590 -0.700 3.348 1.00 0.00 C ATOM 586 OG1 THR A 37 8.538 -0.838 2.277 1.00 0.00 O ATOM 587 CG2 THR A 37 8.280 -0.040 4.560 1.00 0.00 C ATOM 0 H THR A 37 6.133 -1.973 1.765 1.00 0.00 H new ATOM 0 HA THR A 37 7.759 -2.762 4.038 1.00 0.00 H new ATOM 0 HB THR A 37 6.766 -0.049 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.829 0.050 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.689 0.926 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.553 0.104 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.086 -0.683 4.914 1.00 0.00 H new ATOM 595 N LEU A 38 6.207 -2.421 6.016 1.00 0.00 N ATOM 596 CA LEU A 38 5.296 -2.302 7.175 1.00 0.00 C ATOM 597 C LEU A 38 5.222 -0.824 7.606 1.00 0.00 C ATOM 598 O LEU A 38 6.199 -0.284 8.136 1.00 0.00 O ATOM 599 CB LEU A 38 5.792 -3.189 8.371 1.00 0.00 C ATOM 600 CG LEU A 38 4.712 -3.724 9.396 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.380 -4.476 10.568 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.747 -2.639 9.924 1.00 0.00 C ATOM 0 H LEU A 38 7.091 -2.882 6.232 1.00 0.00 H new ATOM 0 HA LEU A 38 4.305 -2.653 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.313 -4.051 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.528 -2.613 8.932 1.00 0.00 H new ATOM 0 HG LEU A 38 4.095 -4.420 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.613 -4.832 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.943 -5.325 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.056 -3.802 11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.039 -3.089 10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.317 -1.863 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.203 -2.198 9.089 1.00 0.00 H new ATOM 614 N ILE A 39 4.081 -0.182 7.330 1.00 0.00 N ATOM 615 CA ILE A 39 3.744 1.159 7.842 1.00 0.00 C ATOM 616 C ILE A 39 2.261 1.152 8.263 1.00 0.00 C ATOM 617 O ILE A 39 1.414 0.547 7.607 1.00 0.00 O ATOM 618 CB ILE A 39 4.023 2.305 6.776 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.551 2.366 6.410 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.529 3.688 7.279 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.950 3.373 5.335 1.00 0.00 C ATOM 0 H ILE A 39 3.353 -0.581 6.737 1.00 0.00 H new ATOM 0 HA ILE A 39 4.384 1.381 8.696 1.00 0.00 H new ATOM 0 HB ILE A 39 3.459 2.058 5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.111 2.594 7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.864 1.375 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.737 4.446 6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.456 3.646 7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.047 3.945 8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.026 3.322 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.429 3.139 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.680 4.378 5.660 1.00 0.00 H new ATOM 633 N SER A 40 1.943 1.794 9.378 1.00 0.00 N ATOM 634 CA SER A 40 0.555 1.926 9.818 1.00 0.00 C ATOM 635 C SER A 40 -0.016 3.244 9.267 1.00 0.00 C ATOM 636 O SER A 40 0.700 4.250 9.191 1.00 0.00 O ATOM 637 CB SER A 40 0.453 1.871 11.346 1.00 0.00 C ATOM 638 OG SER A 40 -0.904 1.841 11.753 1.00 0.00 O ATOM 0 H SER A 40 2.625 2.233 9.997 1.00 0.00 H new ATOM 0 HA SER A 40 -0.030 1.091 9.432 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.970 0.987 11.719 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.950 2.738 11.781 1.00 0.00 H new ATOM 0 HG SER A 40 -1.402 1.215 11.186 1.00 0.00 H new ATOM 644 N VAL A 41 -1.292 3.203 8.844 1.00 0.00 N ATOM 645 CA VAL A 41 -2.043 4.373 8.344 1.00 0.00 C ATOM 646 C VAL A 41 -1.990 5.598 9.312 1.00 0.00 C ATOM 647 O VAL A 41 -2.035 6.740 8.854 1.00 0.00 O ATOM 648 CB VAL A 41 -3.539 3.965 8.044 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.261 3.441 9.315 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.331 5.120 7.367 1.00 0.00 C ATOM 0 H VAL A 41 -1.841 2.343 8.839 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.557 4.692 7.422 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.506 3.141 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.287 3.171 9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.737 2.564 9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.266 4.220 10.078 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.355 4.797 7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.340 5.989 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.854 5.384 6.423 1.00 0.00 H new ATOM 660 N ASN A 42 -1.860 5.351 10.639 1.00 0.00 N ATOM 661 CA ASN A 42 -1.825 6.442 11.655 1.00 0.00 C ATOM 662 C ASN A 42 -0.466 7.178 11.660 1.00 0.00 C ATOM 663 O ASN A 42 -0.390 8.349 12.052 1.00 0.00 O ATOM 664 CB ASN A 42 -2.160 5.910 13.087 1.00 0.00 C ATOM 665 CG ASN A 42 -0.997 5.213 13.807 1.00 0.00 C ATOM 666 OD1 ASN A 42 -0.227 5.840 14.538 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.862 3.917 13.614 1.00 0.00 N ATOM 0 H ASN A 42 -1.778 4.414 11.033 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.596 7.158 11.370 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.498 6.746 13.699 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.993 5.211 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.107 3.409 14.074 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.513 3.422 13.004 1.00 0.00 H new ATOM 674 N ASP A 43 0.598 6.474 11.222 1.00 0.00 N ATOM 675 CA ASP A 43 1.974 7.006 11.193 1.00 0.00 C ATOM 676 C ASP A 43 2.187 7.859 9.942 1.00 0.00 C ATOM 677 O ASP A 43 2.616 7.360 8.897 1.00 0.00 O ATOM 678 CB ASP A 43 3.032 5.857 11.264 1.00 0.00 C ATOM 679 CG ASP A 43 3.109 5.176 12.640 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.310 4.260 12.910 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.981 5.553 13.460 1.00 0.00 O ATOM 0 H ASP A 43 0.525 5.517 10.877 1.00 0.00 H new ATOM 0 HA ASP A 43 2.110 7.634 12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.793 5.107 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.013 6.261 11.012 1.00 0.00 H new ATOM 686 N GLN A 44 1.848 9.153 10.049 1.00 0.00 N ATOM 687 CA GLN A 44 2.212 10.149 9.034 1.00 0.00 C ATOM 688 C GLN A 44 3.730 10.390 9.080 1.00 0.00 C ATOM 689 O GLN A 44 4.336 10.663 8.060 1.00 0.00 O ATOM 690 CB GLN A 44 1.440 11.492 9.223 1.00 0.00 C ATOM 691 CG GLN A 44 -0.029 11.477 8.745 1.00 0.00 C ATOM 692 CD GLN A 44 -0.932 10.566 9.574 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.547 10.994 10.551 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.025 9.302 9.196 1.00 0.00 N ATOM 0 H GLN A 44 1.319 9.534 10.834 1.00 0.00 H new ATOM 0 HA GLN A 44 1.929 9.756 8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.459 11.758 10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.972 12.278 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.423 12.493 8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.060 11.156 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.505 8.973 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.617 8.656 9.718 1.00 0.00 H new ATOM 703 N GLU A 45 4.314 10.273 10.283 1.00 0.00 N ATOM 704 CA GLU A 45 5.759 10.452 10.499 1.00 0.00 C ATOM 705 C GLU A 45 6.595 9.362 9.784 1.00 0.00 C ATOM 706 O GLU A 45 7.528 9.691 9.064 1.00 0.00 O ATOM 707 CB GLU A 45 6.077 10.512 12.020 1.00 0.00 C ATOM 708 CG GLU A 45 5.529 9.334 12.852 1.00 0.00 C ATOM 709 CD GLU A 45 5.821 9.473 14.355 1.00 0.00 C ATOM 710 OE1 GLU A 45 5.076 10.208 15.045 1.00 0.00 O ATOM 711 OE2 GLU A 45 6.808 8.881 14.844 1.00 0.00 O ATOM 0 H GLU A 45 3.797 10.051 11.134 1.00 0.00 H new ATOM 0 HA GLU A 45 6.046 11.404 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.159 10.554 12.147 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.672 11.440 12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.452 9.261 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.966 8.404 12.487 1.00 0.00 H new ATOM 718 N LYS A 46 6.228 8.073 9.963 1.00 0.00 N ATOM 719 CA LYS A 46 6.959 6.930 9.353 1.00 0.00 C ATOM 720 C LYS A 46 6.729 6.876 7.834 1.00 0.00 C ATOM 721 O LYS A 46 7.663 6.603 7.065 1.00 0.00 O ATOM 722 CB LYS A 46 6.535 5.587 10.016 1.00 0.00 C ATOM 723 CG LYS A 46 7.135 4.271 9.417 1.00 0.00 C ATOM 724 CD LYS A 46 8.651 4.025 9.701 1.00 0.00 C ATOM 725 CE LYS A 46 9.608 4.692 8.694 1.00 0.00 C ATOM 726 NZ LYS A 46 11.041 4.378 8.970 1.00 0.00 N ATOM 0 H LYS A 46 5.426 7.793 10.528 1.00 0.00 H new ATOM 0 HA LYS A 46 8.024 7.081 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.805 5.631 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.448 5.515 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.569 3.425 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.984 4.284 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.884 4.391 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.837 2.951 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.355 4.363 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.464 5.772 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.639 5.157 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.180 4.260 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.304 3.498 8.481 1.00 0.00 H new ATOM 740 N LEU A 47 5.486 7.140 7.410 1.00 0.00 N ATOM 741 CA LEU A 47 5.112 7.101 5.987 1.00 0.00 C ATOM 742 C LEU A 47 5.853 8.201 5.207 1.00 0.00 C ATOM 743 O LEU A 47 6.518 7.920 4.208 1.00 0.00 O ATOM 744 CB LEU A 47 3.580 7.243 5.844 1.00 0.00 C ATOM 745 CG LEU A 47 2.972 7.005 4.424 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.379 5.633 3.826 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.438 7.137 4.482 1.00 0.00 C ATOM 0 H LEU A 47 4.718 7.384 8.035 1.00 0.00 H new ATOM 0 HA LEU A 47 5.407 6.141 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.110 6.543 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.302 8.246 6.167 1.00 0.00 H new ATOM 0 HG LEU A 47 3.379 7.769 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.930 5.519 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.464 5.582 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.029 4.833 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.021 6.970 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.035 6.398 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.172 8.137 4.824 1.00 0.00 H new ATOM 759 N ALA A 48 5.780 9.437 5.732 1.00 0.00 N ATOM 760 CA ALA A 48 6.446 10.608 5.141 1.00 0.00 C ATOM 761 C ALA A 48 7.973 10.504 5.268 1.00 0.00 C ATOM 762 O ALA A 48 8.684 11.070 4.449 1.00 0.00 O ATOM 763 CB ALA A 48 5.935 11.898 5.790 1.00 0.00 C ATOM 0 H ALA A 48 5.256 9.651 6.580 1.00 0.00 H new ATOM 0 HA ALA A 48 6.203 10.633 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.438 12.755 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.860 11.984 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.143 11.874 6.860 1.00 0.00 H new ATOM 769 N ASP A 49 8.461 9.782 6.307 1.00 0.00 N ATOM 770 CA ASP A 49 9.906 9.488 6.483 1.00 0.00 C ATOM 771 C ASP A 49 10.420 8.672 5.298 1.00 0.00 C ATOM 772 O ASP A 49 11.408 9.045 4.668 1.00 0.00 O ATOM 773 CB ASP A 49 10.170 8.706 7.802 1.00 0.00 C ATOM 774 CG ASP A 49 11.634 8.249 7.993 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.481 9.079 8.376 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.949 7.061 7.734 1.00 0.00 O ATOM 0 H ASP A 49 7.871 9.390 7.041 1.00 0.00 H new ATOM 0 HA ASP A 49 10.436 10.439 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.886 9.335 8.646 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.523 7.829 7.826 1.00 0.00 H new ATOM 781 N PHE A 50 9.706 7.572 5.009 1.00 0.00 N ATOM 782 CA PHE A 50 10.015 6.652 3.896 1.00 0.00 C ATOM 783 C PHE A 50 9.999 7.398 2.543 1.00 0.00 C ATOM 784 O PHE A 50 10.841 7.158 1.666 1.00 0.00 O ATOM 785 CB PHE A 50 8.986 5.485 3.903 1.00 0.00 C ATOM 786 CG PHE A 50 9.227 4.402 2.846 1.00 0.00 C ATOM 787 CD1 PHE A 50 10.242 3.457 3.015 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.451 4.333 1.685 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.469 2.481 2.066 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.679 3.352 0.737 1.00 0.00 C ATOM 791 CZ PHE A 50 9.689 2.429 0.925 1.00 0.00 C ATOM 0 H PHE A 50 8.887 7.291 5.547 1.00 0.00 H new ATOM 0 HA PHE A 50 11.018 6.247 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.995 5.018 4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.989 5.899 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.858 3.491 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.664 5.055 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.257 1.757 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.066 3.308 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.870 1.667 0.181 1.00 0.00 H new ATOM 801 N LEU A 51 9.032 8.319 2.406 1.00 0.00 N ATOM 802 CA LEU A 51 8.871 9.154 1.205 1.00 0.00 C ATOM 803 C LEU A 51 9.910 10.309 1.161 1.00 0.00 C ATOM 804 O LEU A 51 10.176 10.847 0.094 1.00 0.00 O ATOM 805 CB LEU A 51 7.427 9.714 1.131 1.00 0.00 C ATOM 806 CG LEU A 51 6.261 8.669 1.160 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.896 9.371 1.194 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.326 7.669 -0.015 1.00 0.00 C ATOM 0 H LEU A 51 8.337 8.506 3.128 1.00 0.00 H new ATOM 0 HA LEU A 51 9.051 8.523 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.287 10.402 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.336 10.299 0.216 1.00 0.00 H new ATOM 0 HG LEU A 51 6.385 8.092 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.103 8.624 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.830 9.994 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.785 9.994 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.494 6.969 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.264 8.212 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.267 7.120 0.026 1.00 0.00 H new ATOM 820 N SER A 52 10.461 10.695 2.331 1.00 0.00 N ATOM 821 CA SER A 52 11.478 11.772 2.443 1.00 0.00 C ATOM 822 C SER A 52 12.896 11.261 2.104 1.00 0.00 C ATOM 823 O SER A 52 13.764 12.054 1.718 1.00 0.00 O ATOM 824 CB SER A 52 11.455 12.383 3.866 1.00 0.00 C ATOM 825 OG SER A 52 12.347 13.482 4.001 1.00 0.00 O ATOM 0 H SER A 52 10.216 10.272 3.226 1.00 0.00 H new ATOM 0 HA SER A 52 11.223 12.543 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.442 12.710 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.718 11.614 4.592 1.00 0.00 H new ATOM 0 HG SER A 52 12.296 13.834 4.914 1.00 0.00 H new ATOM 831 N GLN A 53 13.121 9.934 2.269 1.00 0.00 N ATOM 832 CA GLN A 53 14.423 9.279 1.964 1.00 0.00 C ATOM 833 C GLN A 53 14.772 9.425 0.464 1.00 0.00 C ATOM 834 O GLN A 53 15.934 9.569 0.089 1.00 0.00 O ATOM 835 CB GLN A 53 14.384 7.776 2.357 1.00 0.00 C ATOM 836 CG GLN A 53 13.973 7.494 3.817 1.00 0.00 C ATOM 837 CD GLN A 53 14.888 8.121 4.876 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.090 8.269 4.678 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.323 8.508 6.009 1.00 0.00 N ATOM 0 H GLN A 53 12.411 9.289 2.615 1.00 0.00 H new ATOM 0 HA GLN A 53 15.196 9.775 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.689 7.261 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.370 7.345 2.183 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.958 7.861 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.949 6.415 3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.322 8.375 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.889 8.939 6.740 1.00 0.00 H new ATOM 848 N HIS A 54 13.715 9.370 -0.354 1.00 0.00 N ATOM 849 CA HIS A 54 13.714 9.586 -1.804 1.00 0.00 C ATOM 850 C HIS A 54 12.274 9.956 -2.125 1.00 0.00 C ATOM 851 O HIS A 54 11.389 9.172 -1.824 1.00 0.00 O ATOM 852 CB HIS A 54 14.122 8.312 -2.619 1.00 0.00 C ATOM 853 CG HIS A 54 15.591 7.969 -2.573 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.100 6.854 -1.936 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.669 8.630 -3.066 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.412 6.846 -2.047 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.785 7.911 -2.728 1.00 0.00 N ATOM 0 H HIS A 54 12.782 9.161 0.001 1.00 0.00 H new ATOM 0 HA HIS A 54 14.443 10.349 -2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.554 7.461 -2.243 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.830 8.456 -3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.650 9.555 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.073 6.092 -1.646 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.746 8.159 -2.964 1.00 0.00 H new ATOM 866 N LYS A 55 12.026 11.173 -2.610 1.00 0.00 N ATOM 867 CA LYS A 55 10.670 11.590 -3.048 1.00 0.00 C ATOM 868 C LYS A 55 10.386 11.077 -4.463 1.00 0.00 C ATOM 869 O LYS A 55 9.262 10.649 -4.763 1.00 0.00 O ATOM 870 CB LYS A 55 10.493 13.125 -2.954 1.00 0.00 C ATOM 871 CG LYS A 55 10.719 13.686 -1.527 1.00 0.00 C ATOM 872 CD LYS A 55 10.281 15.159 -1.375 1.00 0.00 C ATOM 873 CE LYS A 55 11.018 16.110 -2.332 1.00 0.00 C ATOM 874 NZ LYS A 55 10.582 17.515 -2.150 1.00 0.00 N ATOM 0 H LYS A 55 12.738 11.896 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 55 9.941 11.143 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.190 13.606 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.488 13.388 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.168 13.075 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.776 13.600 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.208 15.233 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.456 15.480 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.092 16.037 -2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.837 15.803 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.100 18.128 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.561 17.589 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.778 17.816 -1.174 1.00 0.00 H new ATOM 888 N ASP A 56 11.419 11.107 -5.320 1.00 0.00 N ATOM 889 CA ASP A 56 11.365 10.509 -6.667 1.00 0.00 C ATOM 890 C ASP A 56 11.531 8.978 -6.586 1.00 0.00 C ATOM 891 O ASP A 56 12.647 8.448 -6.673 1.00 0.00 O ATOM 892 CB ASP A 56 12.437 11.140 -7.608 1.00 0.00 C ATOM 893 CG ASP A 56 12.039 12.528 -8.138 1.00 0.00 C ATOM 894 OD1 ASP A 56 11.349 12.598 -9.182 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.402 13.555 -7.520 1.00 0.00 O ATOM 0 H ASP A 56 12.314 11.545 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 56 10.386 10.724 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.381 11.221 -7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.608 10.472 -8.452 1.00 0.00 H new ATOM 900 N LYS A 57 10.406 8.290 -6.334 1.00 0.00 N ATOM 901 CA LYS A 57 10.281 6.829 -6.482 1.00 0.00 C ATOM 902 C LYS A 57 8.786 6.467 -6.612 1.00 0.00 C ATOM 903 O LYS A 57 7.914 7.238 -6.176 1.00 0.00 O ATOM 904 CB LYS A 57 10.982 6.040 -5.321 1.00 0.00 C ATOM 905 CG LYS A 57 10.216 5.894 -3.989 1.00 0.00 C ATOM 906 CD LYS A 57 9.749 7.233 -3.399 1.00 0.00 C ATOM 907 CE LYS A 57 9.152 7.095 -1.997 1.00 0.00 C ATOM 908 NZ LYS A 57 10.136 6.591 -1.001 1.00 0.00 N ATOM 0 H LYS A 57 9.546 8.738 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 57 10.805 6.525 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.213 5.039 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.933 6.529 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.348 5.254 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.856 5.391 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.593 7.921 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.006 7.676 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.774 8.064 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.299 6.417 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.730 6.660 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.363 5.598 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.004 7.162 -1.050 1.00 0.00 H new ATOM 922 N LYS A 58 8.492 5.307 -7.197 1.00 0.00 N ATOM 923 CA LYS A 58 7.106 4.878 -7.457 1.00 0.00 C ATOM 924 C LYS A 58 6.642 3.918 -6.347 1.00 0.00 C ATOM 925 O LYS A 58 7.073 2.771 -6.304 1.00 0.00 O ATOM 926 CB LYS A 58 7.027 4.225 -8.853 1.00 0.00 C ATOM 927 CG LYS A 58 5.597 4.123 -9.425 1.00 0.00 C ATOM 928 CD LYS A 58 5.586 3.980 -10.960 1.00 0.00 C ATOM 929 CE LYS A 58 6.448 2.805 -11.454 1.00 0.00 C ATOM 930 NZ LYS A 58 6.360 2.628 -12.926 1.00 0.00 N ATOM 0 H LYS A 58 9.197 4.638 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 58 6.437 5.738 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.643 4.799 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.456 3.225 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.091 3.267 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.031 5.011 -9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.560 3.841 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.948 4.905 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.487 2.974 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.128 1.888 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.911 1.715 -13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.792 3.397 -13.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.316 2.648 -13.336 1.00 0.00 H new ATOM 944 N VAL A 59 5.793 4.411 -5.424 1.00 0.00 N ATOM 945 CA VAL A 59 5.325 3.628 -4.254 1.00 0.00 C ATOM 946 C VAL A 59 3.801 3.437 -4.286 1.00 0.00 C ATOM 947 O VAL A 59 3.060 4.363 -4.616 1.00 0.00 O ATOM 948 CB VAL A 59 5.790 4.301 -2.901 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.060 3.740 -1.662 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.309 4.138 -2.717 1.00 0.00 C ATOM 0 H VAL A 59 5.412 5.356 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 59 5.781 2.640 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 59 5.530 5.357 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.424 4.243 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.988 3.910 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.251 2.670 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.614 4.606 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.561 3.078 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.829 4.614 -3.548 1.00 0.00 H new ATOM 960 N LEU A 60 3.361 2.216 -3.916 1.00 0.00 N ATOM 961 CA LEU A 60 1.950 1.807 -3.935 1.00 0.00 C ATOM 962 C LEU A 60 1.472 1.398 -2.526 1.00 0.00 C ATOM 963 O LEU A 60 1.847 0.339 -2.026 1.00 0.00 O ATOM 964 CB LEU A 60 1.778 0.612 -4.896 1.00 0.00 C ATOM 965 CG LEU A 60 0.324 0.091 -5.068 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.544 1.108 -5.823 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.308 -1.281 -5.754 1.00 0.00 C ATOM 0 H LEU A 60 3.988 1.480 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 60 1.351 2.653 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.160 0.899 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.399 -0.210 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.108 -0.033 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.556 0.716 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.574 2.045 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.119 1.286 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.722 -1.622 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.769 -1.201 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.866 -1.996 -5.150 1.00 0.00 H new ATOM 979 N LEU A 61 0.629 2.231 -1.909 1.00 0.00 N ATOM 980 CA LEU A 61 0.050 1.965 -0.576 1.00 0.00 C ATOM 981 C LEU A 61 -1.153 1.009 -0.716 1.00 0.00 C ATOM 982 O LEU A 61 -2.248 1.441 -1.059 1.00 0.00 O ATOM 983 CB LEU A 61 -0.374 3.316 0.098 1.00 0.00 C ATOM 984 CG LEU A 61 0.771 4.208 0.708 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.887 4.521 -0.298 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.198 5.518 1.283 1.00 0.00 C ATOM 0 H LEU A 61 0.324 3.115 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 61 0.795 1.488 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.906 3.911 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.084 3.088 0.893 1.00 0.00 H new ATOM 0 HG LEU A 61 1.217 3.623 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.646 5.139 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.339 3.590 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.469 5.057 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.008 6.118 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.297 6.078 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.522 5.287 2.068 1.00 0.00 H new ATOM 998 N HIS A 62 -0.947 -0.299 -0.482 1.00 0.00 N ATOM 999 CA HIS A 62 -2.033 -1.297 -0.610 1.00 0.00 C ATOM 1000 C HIS A 62 -2.738 -1.497 0.744 1.00 0.00 C ATOM 1001 O HIS A 62 -2.095 -1.467 1.809 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.516 -2.652 -1.192 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.905 -3.623 -0.200 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.518 -4.795 0.173 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.274 -3.606 0.461 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.742 -5.451 1.008 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.351 -4.751 1.211 1.00 0.00 N ATOM 0 H HIS A 62 -0.047 -0.691 -0.205 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.761 -0.909 -1.323 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.348 -3.150 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.772 -2.433 -1.958 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.434 -5.108 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.022 -2.829 0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.967 -6.409 1.454 1.00 0.00 H new ATOM 1016 N CYS A 63 -4.059 -1.704 0.684 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.917 -1.917 1.872 1.00 0.00 C ATOM 1018 C CYS A 63 -5.831 -3.132 1.654 1.00 0.00 C ATOM 1019 O CYS A 63 -6.100 -3.509 0.507 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.738 -0.643 2.142 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.956 -0.745 3.466 1.00 0.00 S ATOM 0 H CYS A 63 -4.574 -1.730 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.295 -2.121 2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.047 0.167 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.254 -0.367 1.222 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.346 -0.819 4.612 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.262 -3.754 2.772 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.125 -4.964 2.769 1.00 0.00 C ATOM 1029 C ARG A 64 -8.475 -4.674 2.095 1.00 0.00 C ATOM 1030 O ARG A 64 -8.956 -5.456 1.264 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.318 -5.487 4.224 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.145 -6.783 4.347 1.00 0.00 C ATOM 1033 CD ARG A 64 -7.933 -7.503 5.691 1.00 0.00 C ATOM 1034 NE ARG A 64 -8.572 -6.827 6.830 1.00 0.00 N ATOM 1035 CZ ARG A 64 -8.546 -7.271 8.099 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -7.746 -8.273 8.462 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -9.276 -6.658 9.016 1.00 0.00 N ATOM 0 H ARG A 64 -6.022 -3.432 3.710 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.632 -5.744 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.336 -5.657 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.802 -4.708 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.202 -6.546 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.878 -7.457 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.324 -8.517 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.863 -7.588 5.883 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.072 -5.957 6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.140 -8.717 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.740 -8.596 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.852 -5.856 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.263 -6.987 9.981 1.00 0.00 H new ATOM 1051 N ALA A 65 -9.071 -3.540 2.475 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.301 -3.028 1.848 1.00 0.00 C ATOM 1053 C ALA A 65 -9.959 -2.039 0.717 1.00 0.00 C ATOM 1054 O ALA A 65 -10.370 -2.223 -0.434 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.193 -2.363 2.911 1.00 0.00 C ATOM 0 H ALA A 65 -8.717 -2.948 3.226 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.849 -3.862 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.101 -1.987 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.457 -3.095 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.654 -1.536 3.373 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.182 -1.001 1.069 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.841 0.094 0.146 1.00 0.00 C ATOM 1063 C GLY A 66 -8.994 1.460 0.798 1.00 0.00 C ATOM 1064 O GLY A 66 -8.494 2.463 0.279 1.00 0.00 O ATOM 0 H GLY A 66 -8.774 -0.898 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.814 -0.030 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.482 0.039 -0.734 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.701 1.482 1.946 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.967 2.699 2.728 1.00 0.00 C ATOM 1070 C ARG A 67 -8.657 3.359 3.199 1.00 0.00 C ATOM 1071 O ARG A 67 -8.428 4.539 2.928 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.882 2.342 3.936 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.278 3.507 4.877 1.00 0.00 C ATOM 1074 CD ARG A 67 -12.011 4.678 4.168 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.078 5.707 3.667 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.389 6.705 2.823 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.569 6.748 2.217 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.491 7.654 2.588 1.00 0.00 N ATOM 0 H ARG A 67 -10.107 0.642 2.359 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.478 3.423 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.796 1.891 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.378 1.580 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.919 3.118 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.379 3.893 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.596 4.286 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.714 5.137 4.863 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.112 5.656 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.258 6.015 2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.787 7.514 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.580 7.619 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.712 8.418 1.950 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.800 2.574 3.879 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.541 3.085 4.482 1.00 0.00 C ATOM 1094 C ARG A 68 -5.473 3.363 3.422 1.00 0.00 C ATOM 1095 O ARG A 68 -4.532 4.121 3.668 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.001 2.096 5.539 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.032 1.718 6.617 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.618 2.956 7.338 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.656 2.611 8.330 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.683 3.412 8.694 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -9.878 4.586 8.103 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -10.518 3.019 9.644 1.00 0.00 N ATOM 0 H ARG A 68 -7.953 1.577 4.028 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.777 4.030 4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.665 1.189 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.128 2.535 6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.842 1.152 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.562 1.063 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.812 3.494 7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.043 3.633 6.597 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.593 1.696 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.248 4.895 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.658 5.178 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.385 2.115 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.294 3.620 9.922 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.624 2.706 2.262 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.823 2.991 1.057 1.00 0.00 C ATOM 1118 C ALA A 69 -5.021 4.453 0.646 1.00 0.00 C ATOM 1119 O ALA A 69 -4.056 5.218 0.530 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.221 2.042 -0.090 1.00 0.00 C ATOM 0 H ALA A 69 -6.307 1.959 2.131 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.769 2.826 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.621 2.265 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.048 1.010 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.276 2.178 -0.325 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.304 4.821 0.478 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.725 6.182 0.132 1.00 0.00 C ATOM 1128 C LEU A 70 -6.327 7.171 1.247 1.00 0.00 C ATOM 1129 O LEU A 70 -5.677 8.163 0.959 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.257 6.203 -0.147 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.898 7.583 -0.522 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.196 8.248 -1.725 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.411 7.429 -0.801 1.00 0.00 C ATOM 0 H LEU A 70 -7.083 4.171 0.581 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.214 6.501 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.462 5.504 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.767 5.823 0.738 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.761 8.239 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.677 9.201 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.146 8.418 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.268 7.595 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.834 8.400 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.560 6.737 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.908 7.042 0.089 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.665 6.837 2.515 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.415 7.697 3.707 1.00 0.00 C ATOM 1147 C ASP A 71 -4.955 8.153 3.804 1.00 0.00 C ATOM 1148 O ASP A 71 -4.661 9.358 3.869 1.00 0.00 O ATOM 1149 CB ASP A 71 -6.782 6.930 5.016 1.00 0.00 C ATOM 1150 CG ASP A 71 -8.287 6.801 5.259 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -9.010 7.801 5.087 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -8.754 5.716 5.656 1.00 0.00 O ATOM 0 H ASP A 71 -7.123 5.956 2.746 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.044 8.579 3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.344 5.933 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.330 7.443 5.865 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.059 7.162 3.808 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.622 7.366 3.988 1.00 0.00 C ATOM 1159 C ALA A 72 -2.017 8.155 2.806 1.00 0.00 C ATOM 1160 O ALA A 72 -1.223 9.095 3.004 1.00 0.00 O ATOM 1161 CB ALA A 72 -1.947 6.000 4.179 1.00 0.00 C ATOM 0 H ALA A 72 -4.317 6.183 3.684 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.446 7.970 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.875 6.140 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.363 5.509 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.124 5.381 3.300 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.452 7.797 1.580 1.00 0.00 N ATOM 1168 CA ALA A 73 -1.995 8.450 0.344 1.00 0.00 C ATOM 1169 C ALA A 73 -2.475 9.909 0.262 1.00 0.00 C ATOM 1170 O ALA A 73 -1.724 10.765 -0.219 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.452 7.654 -0.886 1.00 0.00 C ATOM 0 H ALA A 73 -3.128 7.049 1.423 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.905 8.467 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.105 8.152 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.036 6.647 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.540 7.596 -0.898 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.714 10.187 0.749 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.282 11.555 0.749 1.00 0.00 C ATOM 1179 C LYS A 74 -3.418 12.456 1.605 1.00 0.00 C ATOM 1180 O LYS A 74 -2.929 13.460 1.114 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.762 11.628 1.241 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.792 10.928 0.319 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.209 11.545 0.383 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.274 12.920 -0.297 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.605 13.567 -0.154 1.00 0.00 N ATOM 0 H LYS A 74 -4.334 9.481 1.145 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.290 11.887 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.822 11.181 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.043 12.676 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.433 10.971 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.852 9.874 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.919 10.871 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.515 11.642 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.511 13.569 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.040 12.809 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.595 14.491 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.333 12.963 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.820 13.700 0.855 1.00 0.00 H new ATOM 1199 N SER A 75 -3.179 12.015 2.859 1.00 0.00 N ATOM 1200 CA SER A 75 -2.376 12.748 3.854 1.00 0.00 C ATOM 1201 C SER A 75 -1.026 13.202 3.270 1.00 0.00 C ATOM 1202 O SER A 75 -0.631 14.357 3.427 1.00 0.00 O ATOM 1203 CB SER A 75 -2.150 11.862 5.102 1.00 0.00 C ATOM 1204 OG SER A 75 -3.384 11.376 5.608 1.00 0.00 O ATOM 0 H SER A 75 -3.544 11.129 3.210 1.00 0.00 H new ATOM 0 HA SER A 75 -2.928 13.643 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.502 11.024 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.637 12.437 5.873 1.00 0.00 H new ATOM 0 HG SER A 75 -3.675 10.606 5.076 1.00 0.00 H new ATOM 1210 N MET A 76 -0.373 12.289 2.536 1.00 0.00 N ATOM 1211 CA MET A 76 0.939 12.539 1.907 1.00 0.00 C ATOM 1212 C MET A 76 0.836 13.503 0.708 1.00 0.00 C ATOM 1213 O MET A 76 1.698 14.366 0.538 1.00 0.00 O ATOM 1214 CB MET A 76 1.569 11.203 1.485 1.00 0.00 C ATOM 1215 CG MET A 76 1.822 10.266 2.659 1.00 0.00 C ATOM 1216 SD MET A 76 2.951 10.998 3.871 1.00 0.00 S ATOM 1217 CE MET A 76 2.044 10.801 5.404 1.00 0.00 C ATOM 0 H MET A 76 -0.738 11.353 2.359 1.00 0.00 H new ATOM 0 HA MET A 76 1.580 13.025 2.643 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.913 10.709 0.768 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.512 11.398 0.973 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.875 10.025 3.143 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.240 9.328 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.724 11.778 5.765 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.170 10.173 5.231 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.686 10.331 6.149 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.219 13.350 -0.120 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.505 14.283 -1.243 1.00 0.00 C ATOM 1229 C HIS A 77 -0.780 15.713 -0.722 1.00 0.00 C ATOM 1230 O HIS A 77 -0.452 16.697 -1.399 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.695 13.769 -2.110 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.327 12.773 -3.194 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.180 13.132 -4.519 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.147 11.430 -3.160 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.930 12.061 -5.243 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.901 11.018 -4.442 1.00 0.00 N ATOM 0 H HIS A 77 -0.892 12.588 -0.036 1.00 0.00 H new ATOM 0 HA HIS A 77 0.381 14.321 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.430 13.308 -1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.179 14.627 -2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.190 10.801 -2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.775 12.042 -6.312 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.724 10.056 -4.730 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.372 15.806 0.486 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.632 17.083 1.175 1.00 0.00 C ATOM 1247 C GLU A 78 -0.307 17.705 1.684 1.00 0.00 C ATOM 1248 O GLU A 78 -0.170 18.928 1.726 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.622 16.866 2.353 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.968 16.211 1.968 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.855 17.069 1.047 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.463 18.051 1.531 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.946 16.774 -0.166 1.00 0.00 O ATOM 0 H GLU A 78 -1.685 14.991 1.013 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.084 17.776 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.136 16.245 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.825 17.830 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.767 15.260 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.522 15.987 2.879 1.00 0.00 H new ATOM 1260 N LEU A 79 0.666 16.839 2.069 1.00 0.00 N ATOM 1261 CA LEU A 79 2.015 17.280 2.515 1.00 0.00 C ATOM 1262 C LEU A 79 2.878 17.737 1.318 1.00 0.00 C ATOM 1263 O LEU A 79 3.795 18.548 1.486 1.00 0.00 O ATOM 1264 CB LEU A 79 2.761 16.143 3.274 1.00 0.00 C ATOM 1265 CG LEU A 79 2.048 15.557 4.526 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.894 14.451 5.191 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.660 16.657 5.544 1.00 0.00 C ATOM 0 H LEU A 79 0.541 15.827 2.080 1.00 0.00 H new ATOM 0 HA LEU A 79 1.864 18.121 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.943 15.328 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.735 16.522 3.583 1.00 0.00 H new ATOM 0 HG LEU A 79 1.120 15.102 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.366 14.064 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.061 13.643 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.853 14.864 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.165 16.201 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.558 17.177 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.983 17.369 5.071 1.00 0.00 H new ATOM 1279 N GLY A 80 2.586 17.191 0.122 1.00 0.00 N ATOM 1280 CA GLY A 80 3.294 17.554 -1.114 1.00 0.00 C ATOM 1281 C GLY A 80 4.003 16.384 -1.790 1.00 0.00 C ATOM 1282 O GLY A 80 4.761 16.596 -2.737 1.00 0.00 O ATOM 0 H GLY A 80 1.857 16.490 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.581 17.987 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.027 18.328 -0.887 1.00 0.00 H new ATOM 1286 N TYR A 81 3.797 15.155 -1.281 1.00 0.00 N ATOM 1287 CA TYR A 81 4.260 13.913 -1.953 1.00 0.00 C ATOM 1288 C TYR A 81 3.209 13.453 -2.993 1.00 0.00 C ATOM 1289 O TYR A 81 2.116 14.028 -3.067 1.00 0.00 O ATOM 1290 CB TYR A 81 4.491 12.780 -0.919 1.00 0.00 C ATOM 1291 CG TYR A 81 5.456 13.125 0.225 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.842 13.143 0.028 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.980 13.404 1.510 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.708 13.422 1.072 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.845 13.689 2.549 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.206 13.694 2.327 1.00 0.00 C ATOM 1297 OH TYR A 81 8.068 13.965 3.370 1.00 0.00 O ATOM 0 H TYR A 81 3.310 14.989 -0.400 1.00 0.00 H new ATOM 0 HA TYR A 81 5.204 14.128 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.529 12.500 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.873 11.904 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.242 12.936 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.916 13.397 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.775 13.427 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.456 13.907 3.533 1.00 0.00 H new ATOM 0 HH TYR A 81 8.351 13.125 3.788 1.00 0.00 H new ATOM 1307 N THR A 82 3.531 12.403 -3.779 1.00 0.00 N ATOM 1308 CA THR A 82 2.574 11.784 -4.728 1.00 0.00 C ATOM 1309 C THR A 82 2.682 10.227 -4.717 1.00 0.00 C ATOM 1310 O THR A 82 3.087 9.619 -5.718 1.00 0.00 O ATOM 1311 CB THR A 82 2.755 12.322 -6.205 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.128 12.205 -6.607 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.285 13.776 -6.374 1.00 0.00 C ATOM 0 H THR A 82 4.451 11.963 -3.776 1.00 0.00 H new ATOM 0 HA THR A 82 1.580 12.072 -4.385 1.00 0.00 H new ATOM 0 HB THR A 82 2.124 11.705 -6.845 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.429 11.281 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.434 14.089 -7.407 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.227 13.848 -6.122 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.860 14.424 -5.712 1.00 0.00 H new ATOM 1321 N PRO A 83 2.347 9.542 -3.573 1.00 0.00 N ATOM 1322 CA PRO A 83 2.252 8.063 -3.550 1.00 0.00 C ATOM 1323 C PRO A 83 0.921 7.554 -4.164 1.00 0.00 C ATOM 1324 O PRO A 83 -0.124 8.218 -4.066 1.00 0.00 O ATOM 1325 CB PRO A 83 2.343 7.735 -2.042 1.00 0.00 C ATOM 1326 CG PRO A 83 1.708 8.916 -1.374 1.00 0.00 C ATOM 1327 CD PRO A 83 2.100 10.116 -2.213 1.00 0.00 C ATOM 0 HA PRO A 83 3.027 7.580 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.817 6.811 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.377 7.605 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.625 8.806 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.060 9.023 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.308 10.865 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.991 10.605 -1.818 1.00 0.00 H new ATOM 1335 N TYR A 84 0.996 6.388 -4.815 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.174 5.660 -5.350 1.00 0.00 C ATOM 1337 C TYR A 84 -0.817 4.837 -4.230 1.00 0.00 C ATOM 1338 O TYR A 84 -0.314 4.823 -3.098 1.00 0.00 O ATOM 1339 CB TYR A 84 0.258 4.729 -6.514 1.00 0.00 C ATOM 1340 CG TYR A 84 0.953 5.463 -7.668 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.311 5.791 -7.597 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.252 5.845 -8.814 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.936 6.471 -8.618 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.878 6.522 -9.841 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.220 6.834 -9.737 1.00 0.00 C ATOM 1346 OH TYR A 84 2.851 7.515 -10.754 1.00 0.00 O ATOM 0 H TYR A 84 1.881 5.912 -4.991 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.899 6.379 -5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.930 3.964 -6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.621 4.214 -6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.880 5.505 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.798 5.607 -8.898 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.984 6.719 -8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.322 6.807 -10.722 1.00 0.00 H new ATOM 0 HH TYR A 84 2.210 7.697 -11.473 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.923 4.150 -4.549 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.634 3.319 -3.577 1.00 0.00 C ATOM 1358 C TYR A 85 -3.502 2.262 -4.284 1.00 0.00 C ATOM 1359 O TYR A 85 -4.174 2.559 -5.277 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.462 4.199 -2.605 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.525 5.096 -3.257 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.166 6.277 -3.906 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.880 4.774 -3.204 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.111 7.087 -4.480 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.827 5.587 -3.778 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.440 6.745 -4.412 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.388 7.560 -4.991 1.00 0.00 O ATOM 0 H TYR A 85 -2.343 4.156 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.899 2.779 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.956 3.546 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.775 4.832 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.125 6.558 -3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.191 3.869 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.811 7.993 -4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.872 5.318 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.958 8.146 -5.648 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.433 1.019 -3.773 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.164 -0.137 -4.310 1.00 0.00 C ATOM 1379 C LEU A 86 -5.415 -0.373 -3.454 1.00 0.00 C ATOM 1380 O LEU A 86 -5.310 -0.653 -2.237 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.226 -1.393 -4.323 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.729 -2.717 -5.020 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.736 -3.521 -4.170 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.291 -2.437 -6.422 1.00 0.00 C ATOM 0 H LEU A 86 -2.858 0.789 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.478 0.052 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.293 -1.102 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.988 -1.636 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.846 -3.348 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.037 -4.417 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.269 -3.808 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.614 -2.907 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.628 -3.371 -6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.131 -1.747 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.513 -1.994 -7.044 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.584 -0.278 -4.105 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.881 -0.562 -3.490 1.00 0.00 C ATOM 1398 C GLU A 87 -8.386 -1.916 -4.014 1.00 0.00 C ATOM 1399 O GLU A 87 -8.963 -1.998 -5.108 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.883 0.587 -3.781 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.404 1.968 -3.282 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.487 3.055 -3.349 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -9.632 3.705 -4.409 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -10.218 3.247 -2.352 1.00 0.00 O ATOM 0 H GLU A 87 -6.652 0.001 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.781 -0.623 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.060 0.640 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.838 0.352 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.059 1.873 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.547 2.283 -3.878 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.114 -2.975 -3.236 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.454 -4.345 -3.609 1.00 0.00 C ATOM 1413 C GLY A 88 -8.245 -5.305 -2.448 1.00 0.00 C ATOM 1414 O GLY A 88 -7.542 -4.975 -1.482 1.00 0.00 O ATOM 0 H GLY A 88 -7.651 -2.899 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.493 -4.387 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.841 -4.656 -4.455 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.830 -6.506 -2.565 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.827 -7.522 -1.494 1.00 0.00 C ATOM 1420 C ASN A 89 -7.419 -8.125 -1.325 1.00 0.00 C ATOM 1421 O ASN A 89 -6.910 -8.756 -2.254 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.842 -8.639 -1.828 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.270 -8.120 -1.981 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.699 -7.747 -3.078 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.023 -8.110 -0.894 1.00 0.00 N ATOM 0 H ASN A 89 -9.321 -6.804 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.114 -7.043 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.540 -9.133 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.817 -9.392 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.989 -7.788 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.638 -8.425 -0.004 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.808 -7.937 -0.128 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.393 -8.314 0.125 1.00 0.00 C ATOM 1434 C VAL A 90 -5.146 -9.831 -0.047 1.00 0.00 C ATOM 1435 O VAL A 90 -4.103 -10.239 -0.553 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.883 -7.811 1.537 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.539 -8.570 2.706 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.341 -7.864 1.638 1.00 0.00 C ATOM 0 H VAL A 90 -7.275 -7.525 0.680 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.805 -7.802 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.191 -6.769 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.154 -8.186 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.619 -8.430 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.308 -9.632 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.028 -7.511 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.002 -8.890 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.904 -7.228 0.868 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.143 -10.647 0.325 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.049 -12.125 0.261 1.00 0.00 C ATOM 1450 C TYR A 91 -6.059 -12.612 -1.205 1.00 0.00 C ATOM 1451 O TYR A 91 -5.427 -13.620 -1.549 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.221 -12.766 1.051 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.307 -12.308 2.518 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -8.045 -11.180 2.873 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -6.637 -12.986 3.538 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -8.115 -10.746 4.179 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -6.710 -12.554 4.854 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.449 -11.433 5.169 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.521 -10.990 6.479 1.00 0.00 O ATOM 0 H TYR A 91 -7.038 -10.309 0.679 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.106 -12.432 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.159 -12.526 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.114 -13.850 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.574 -10.633 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.052 -13.862 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.692 -9.867 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.189 -13.094 5.631 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.698 -10.509 6.707 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.755 -11.843 -2.060 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.004 -12.182 -3.469 1.00 0.00 C ATOM 1471 C ASP A 92 -5.760 -12.027 -4.352 1.00 0.00 C ATOM 1472 O ASP A 92 -5.747 -12.539 -5.463 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.177 -11.318 -4.036 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.571 -11.779 -3.575 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -9.775 -11.984 -2.358 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.481 -11.907 -4.426 1.00 0.00 O ATOM 0 H ASP A 92 -7.167 -10.952 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.279 -13.237 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.030 -10.281 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.139 -11.342 -5.125 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.718 -11.337 -3.866 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.480 -11.121 -4.651 1.00 0.00 C ATOM 1483 C PHE A 93 -2.875 -12.482 -5.105 1.00 0.00 C ATOM 1484 O PHE A 93 -2.458 -12.635 -6.254 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.440 -10.311 -3.838 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.878 -8.929 -3.323 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.057 -8.315 -3.737 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.079 -8.241 -2.416 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.418 -7.066 -3.262 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.441 -6.998 -1.943 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.608 -6.407 -2.364 1.00 0.00 C ATOM 0 H PHE A 93 -4.701 -10.917 -2.936 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.741 -10.544 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.138 -10.912 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.555 -10.176 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.701 -8.822 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.157 -8.689 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.337 -6.607 -3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.804 -6.486 -1.237 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.888 -5.432 -1.993 1.00 0.00 H new ATOM 1501 N GLU A 94 -2.910 -13.467 -4.187 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.478 -14.858 -4.446 1.00 0.00 C ATOM 1503 C GLU A 94 -3.263 -15.513 -5.614 1.00 0.00 C ATOM 1504 O GLU A 94 -2.650 -16.067 -6.530 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.612 -15.698 -3.141 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.479 -15.475 -2.114 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.201 -16.282 -2.411 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -0.188 -17.504 -2.143 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.797 -15.712 -2.902 1.00 0.00 O ATOM 0 H GLU A 94 -3.242 -13.320 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.433 -14.833 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.565 -15.461 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.642 -16.755 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.229 -14.414 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.843 -15.742 -1.122 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.614 -15.420 -5.597 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.466 -16.040 -6.654 1.00 0.00 C ATOM 1518 C LYS A 95 -5.416 -15.229 -7.979 1.00 0.00 C ATOM 1519 O LYS A 95 -5.809 -15.734 -9.036 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.939 -16.233 -6.159 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.714 -14.925 -5.902 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.143 -15.102 -5.316 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.186 -15.624 -3.860 1.00 0.00 C ATOM 1524 NZ LYS A 95 -8.755 -17.041 -3.716 1.00 0.00 N ATOM 0 H LYS A 95 -5.138 -14.928 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.056 -17.028 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.482 -16.820 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.924 -16.816 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.133 -14.307 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.790 -14.377 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.660 -14.143 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.698 -15.792 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.547 -14.995 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.202 -15.522 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.419 -17.544 -3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.744 -17.497 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.801 -17.073 -3.304 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.929 -13.972 -7.906 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.628 -13.139 -9.096 1.00 0.00 C ATOM 1540 C TYR A 96 -3.187 -13.413 -9.593 1.00 0.00 C ATOM 1541 O TYR A 96 -2.790 -12.918 -10.649 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.855 -11.624 -8.780 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.342 -11.178 -8.758 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.261 -11.759 -7.882 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.819 -10.179 -9.615 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.584 -11.370 -7.856 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.146 -9.785 -9.592 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.021 -10.385 -8.707 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.339 -9.995 -8.676 1.00 0.00 O ATOM 0 H TYR A 96 -4.732 -13.504 -7.021 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.313 -13.410 -9.900 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.409 -11.399 -7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.323 -11.029 -9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.927 -12.533 -7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.138 -9.706 -10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.273 -11.838 -7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.495 -9.013 -10.262 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.487 -9.288 -9.338 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.405 -14.189 -8.810 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.114 -14.744 -9.263 1.00 0.00 C ATOM 1561 C GLY A 97 0.097 -14.130 -8.570 1.00 0.00 C ATOM 1562 O GLY A 97 1.221 -14.631 -8.721 1.00 0.00 O ATOM 0 H GLY A 97 -2.650 -14.446 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.112 -15.820 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.021 -14.592 -10.338 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.135 -13.044 -7.817 1.00 0.00 N ATOM 1567 CA PHE A 98 0.921 -12.293 -7.116 1.00 0.00 C ATOM 1568 C PHE A 98 1.422 -13.065 -5.879 1.00 0.00 C ATOM 1569 O PHE A 98 0.620 -13.562 -5.085 1.00 0.00 O ATOM 1570 CB PHE A 98 0.394 -10.901 -6.686 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.156 -10.059 -7.840 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.705 -9.470 -8.765 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.528 -9.846 -7.987 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.215 -8.693 -9.797 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.015 -9.072 -9.021 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.144 -8.496 -9.927 1.00 0.00 C ATOM 0 H PHE A 98 -1.068 -12.658 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 98 1.756 -12.165 -7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.391 -11.035 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.202 -10.352 -6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.770 -9.623 -8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.216 -10.292 -7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.896 -8.240 -10.502 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.079 -8.916 -9.122 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.527 -7.892 -10.736 1.00 0.00 H new ATOM 1586 N ARG A 99 2.755 -13.153 -5.759 1.00 0.00 N ATOM 1587 CA ARG A 99 3.460 -13.759 -4.617 1.00 0.00 C ATOM 1588 C ARG A 99 3.226 -12.923 -3.354 1.00 0.00 C ATOM 1589 O ARG A 99 3.371 -11.695 -3.370 1.00 0.00 O ATOM 1590 CB ARG A 99 4.987 -13.877 -4.952 1.00 0.00 C ATOM 1591 CG ARG A 99 5.978 -13.989 -3.757 1.00 0.00 C ATOM 1592 CD ARG A 99 5.779 -15.230 -2.873 1.00 0.00 C ATOM 1593 NE ARG A 99 6.727 -15.241 -1.743 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.662 -16.055 -0.679 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.728 -16.988 -0.586 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.549 -15.937 0.289 1.00 0.00 N ATOM 0 H ARG A 99 3.391 -12.795 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 99 3.071 -14.760 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.125 -14.752 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.270 -13.006 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.996 -13.996 -4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.880 -13.098 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.757 -15.249 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.913 -16.131 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 99 7.497 -14.573 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.041 -17.098 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.695 -17.597 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.281 -15.229 0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.504 -16.554 1.100 1.00 0.00 H new ATOM 1610 N MET A 100 2.841 -13.616 -2.275 1.00 0.00 N ATOM 1611 CA MET A 100 2.615 -13.025 -0.940 1.00 0.00 C ATOM 1612 C MET A 100 3.273 -13.897 0.141 1.00 0.00 C ATOM 1613 O MET A 100 3.610 -15.052 -0.111 1.00 0.00 O ATOM 1614 CB MET A 100 1.101 -12.899 -0.638 1.00 0.00 C ATOM 1615 CG MET A 100 0.271 -12.174 -1.704 1.00 0.00 C ATOM 1616 SD MET A 100 -1.407 -11.857 -1.147 1.00 0.00 S ATOM 1617 CE MET A 100 -1.094 -10.644 0.122 1.00 0.00 C ATOM 0 H MET A 100 2.673 -14.622 -2.301 1.00 0.00 H new ATOM 0 HA MET A 100 3.060 -12.030 -0.934 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.691 -13.900 -0.503 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.980 -12.374 0.310 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.753 -11.230 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.244 -12.774 -2.613 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.932 -9.949 0.175 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.976 -11.145 1.083 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.182 -10.096 -0.116 1.00 0.00 H new ATOM 1627 N VAL A 101 3.453 -13.328 1.347 1.00 0.00 N ATOM 1628 CA VAL A 101 3.953 -14.063 2.527 1.00 0.00 C ATOM 1629 C VAL A 101 2.852 -14.109 3.620 1.00 0.00 C ATOM 1630 O VAL A 101 2.468 -13.065 4.177 1.00 0.00 O ATOM 1631 CB VAL A 101 5.268 -13.421 3.116 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.905 -14.347 4.175 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.282 -13.073 2.001 1.00 0.00 C ATOM 0 H VAL A 101 3.256 -12.345 1.533 1.00 0.00 H new ATOM 0 HA VAL A 101 4.201 -15.074 2.205 1.00 0.00 H new ATOM 0 HB VAL A 101 4.988 -12.487 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.810 -13.883 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.199 -14.509 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.156 -15.304 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.175 -12.633 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.555 -13.980 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.832 -12.361 1.309 1.00 0.00 H new ATOM 1643 N TYR A 102 2.342 -15.325 3.884 1.00 0.00 N ATOM 1644 CA TYR A 102 1.325 -15.618 4.922 1.00 0.00 C ATOM 1645 C TYR A 102 2.007 -16.184 6.184 1.00 0.00 C ATOM 1646 O TYR A 102 3.078 -16.802 6.081 1.00 0.00 O ATOM 1647 CB TYR A 102 0.281 -16.640 4.365 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.763 -16.049 3.394 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.377 -15.352 2.245 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -2.134 -16.165 3.649 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.316 -14.804 1.396 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -3.072 -15.615 2.800 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.660 -14.937 1.675 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.592 -14.380 0.831 1.00 0.00 O ATOM 0 H TYR A 102 2.631 -16.157 3.370 1.00 0.00 H new ATOM 0 HA TYR A 102 0.809 -14.696 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.817 -17.440 3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.244 -17.094 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.673 -15.241 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.465 -16.696 4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.998 -14.270 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.125 -15.716 3.017 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.493 -14.565 1.170 1.00 0.00 H new