USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.48) USER MOD Single : A 72 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.0943 (180deg=-0.535) USER MOD Single : B 552 SER OG : rot 180:sc= 0 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 558 GLN : amide:sc= -2.7 K(o=-2.7,f=-3.3!) USER MOD Single : B 559 LYS NZ :NH3+ -114:sc= -0.445 (180deg=-1.77!) USER MOD Single : B 560 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.22) USER MOD Single : B 561 MET CE :methyl -119:sc= -2.65! (180deg=-3.14) USER MOD Single : B 571 GLN : amide:sc= -1.34 K(o=-1.3,f=-6!) USER MOD Single : B 573 MET CE :methyl -151:sc= -9.4! (180deg=-14!) USER MOD Single : B 574 HIS : no HD1:sc= -6.82! C(o=-6.8!,f=-7.8!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.646 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 180:sc= 0 USER MOD Single : B 584 MET CE :methyl 165:sc= -7.81! (180deg=-9.06!) USER MOD Single : B 590 ASN : amide:sc= -3.36 K(o=-3.4,f=-8.6!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.045) USER MOD Single : B 596 MET CE :methyl -118:sc= -4.37 (180deg=-7.67!) USER MOD Single : B 599 SER OG : rot 180:sc= -0.153 USER MOD Single : B 602 SER OG : rot 170:sc= -0.688 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -173:sc= -0.249 (180deg=-0.317) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 7.733 -1.884 -9.714 1.00 0.00 N ATOM 67 CA GLN A 68 7.752 -0.627 -10.453 1.00 0.00 C ATOM 68 C GLN A 68 6.343 -0.066 -10.609 1.00 0.00 C ATOM 69 O GLN A 68 5.381 -0.814 -10.792 1.00 0.00 O ATOM 70 CB GLN A 68 8.387 -0.831 -11.830 1.00 0.00 C ATOM 71 CG GLN A 68 8.438 0.435 -12.670 1.00 0.00 C ATOM 72 CD GLN A 68 8.883 0.172 -14.095 1.00 0.00 C ATOM 73 OE1 GLN A 68 8.169 -0.461 -14.874 1.00 0.00 O ATOM 74 NE2 GLN A 68 10.068 0.657 -14.445 1.00 0.00 N ATOM 0 HA GLN A 68 8.348 0.089 -9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.400 -1.212 -11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.826 -1.593 -12.370 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.452 0.899 -12.681 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.120 1.147 -12.206 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.627 1.176 -13.768 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.420 0.511 -15.391 1.00 0.00 H new ATOM 83 N LEU A 69 6.227 1.256 -10.535 1.00 0.00 N ATOM 84 CA LEU A 69 4.934 1.919 -10.667 1.00 0.00 C ATOM 85 C LEU A 69 4.877 2.751 -11.944 1.00 0.00 C ATOM 86 O LEU A 69 5.809 2.738 -12.747 1.00 0.00 O ATOM 87 CB LEU A 69 4.669 2.810 -9.452 1.00 0.00 C ATOM 88 CG LEU A 69 5.781 3.794 -9.086 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.748 5.003 -10.007 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.655 4.224 -7.632 1.00 0.00 C ATOM 0 H LEU A 69 7.012 1.889 -10.384 1.00 0.00 H new ATOM 0 HA LEU A 69 4.163 1.150 -10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.756 3.376 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.480 2.169 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 69 6.740 3.293 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.546 5.692 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.888 4.679 -11.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.786 5.506 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.454 4.924 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.690 4.707 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.730 3.349 -6.986 1.00 0.00 H new ATOM 102 N ASN A 70 3.777 3.475 -12.124 1.00 0.00 N ATOM 103 CA ASN A 70 3.599 4.315 -13.303 1.00 0.00 C ATOM 104 C ASN A 70 3.771 5.789 -12.951 1.00 0.00 C ATOM 105 O ASN A 70 3.187 6.281 -11.986 1.00 0.00 O ATOM 106 CB ASN A 70 2.216 4.083 -13.915 1.00 0.00 C ATOM 107 CG ASN A 70 1.124 4.012 -12.866 1.00 0.00 C ATOM 108 OD1 ASN A 70 0.885 2.959 -12.274 1.00 0.00 O ATOM 109 ND2 ASN A 70 0.454 5.134 -12.632 1.00 0.00 N ATOM 0 H ASN A 70 2.996 3.497 -11.469 1.00 0.00 H new ATOM 0 HA ASN A 70 4.362 4.043 -14.032 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.992 4.888 -14.615 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.226 3.156 -14.488 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.293 5.147 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.686 5.984 -13.147 1.00 0.00 H new ATOM 116 N VAL A 71 4.577 6.491 -13.742 1.00 0.00 N ATOM 117 CA VAL A 71 4.826 7.909 -13.516 1.00 0.00 C ATOM 118 C VAL A 71 3.697 8.762 -14.085 1.00 0.00 C ATOM 119 O VAL A 71 3.683 9.981 -13.920 1.00 0.00 O ATOM 120 CB VAL A 71 6.158 8.354 -14.148 1.00 0.00 C ATOM 121 CG1 VAL A 71 6.063 8.332 -15.666 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.549 9.737 -13.650 1.00 0.00 C ATOM 0 H VAL A 71 5.069 6.100 -14.545 1.00 0.00 H new ATOM 0 HA VAL A 71 4.879 8.052 -12.437 1.00 0.00 H new ATOM 0 HB VAL A 71 6.935 7.652 -13.846 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.014 8.649 -16.095 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.833 7.321 -16.002 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.274 9.010 -15.991 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.493 10.035 -14.107 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.773 10.454 -13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.662 9.715 -12.566 1.00 0.00 H new ATOM 132 N ASN A 72 2.751 8.112 -14.755 1.00 0.00 N ATOM 133 CA ASN A 72 1.617 8.811 -15.349 1.00 0.00 C ATOM 134 C ASN A 72 0.676 9.336 -14.269 1.00 0.00 C ATOM 135 O ASN A 72 -0.052 10.304 -14.484 1.00 0.00 O ATOM 136 CB ASN A 72 0.856 7.880 -16.295 1.00 0.00 C ATOM 137 CG ASN A 72 1.410 7.911 -17.706 1.00 0.00 C ATOM 138 OD1 ASN A 72 0.670 8.104 -18.671 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.718 7.720 -17.833 1.00 0.00 N ATOM 0 H ASN A 72 2.747 7.102 -14.900 1.00 0.00 H new ATOM 0 HA ASN A 72 2.001 9.659 -15.916 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.902 6.861 -15.912 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.196 8.166 -16.314 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.147 7.730 -18.758 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.293 7.564 -17.005 1.00 0.00 H new ATOM 146 N ALA A 73 0.699 8.692 -13.107 1.00 0.00 N ATOM 147 CA ALA A 73 -0.149 9.095 -11.993 1.00 0.00 C ATOM 148 C ALA A 73 0.001 10.584 -11.700 1.00 0.00 C ATOM 149 O ALA A 73 1.102 11.068 -11.437 1.00 0.00 O ATOM 150 CB ALA A 73 0.181 8.276 -10.754 1.00 0.00 C ATOM 0 H ALA A 73 1.296 7.888 -12.913 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.186 8.908 -12.272 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.460 8.588 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.016 7.219 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.225 8.433 -10.481 1.00 0.00 H new ATOM 156 N LYS A 74 -1.113 11.307 -11.748 1.00 0.00 N ATOM 157 CA LYS A 74 -1.107 12.742 -11.487 1.00 0.00 C ATOM 158 C LYS A 74 -0.402 13.052 -10.171 1.00 0.00 C ATOM 159 O LYS A 74 -0.238 12.190 -9.307 1.00 0.00 O ATOM 160 CB LYS A 74 -2.538 13.281 -11.451 1.00 0.00 C ATOM 161 CG LYS A 74 -3.051 13.737 -12.806 1.00 0.00 C ATOM 162 CD LYS A 74 -3.185 12.572 -13.772 1.00 0.00 C ATOM 163 CE LYS A 74 -3.892 12.988 -15.052 1.00 0.00 C ATOM 164 NZ LYS A 74 -5.266 13.498 -14.786 1.00 0.00 N ATOM 0 H LYS A 74 -2.032 10.922 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.562 13.231 -12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.199 12.506 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.585 14.118 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.019 14.224 -12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.371 14.480 -13.222 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.196 12.181 -14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.740 11.764 -13.295 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.309 13.760 -15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.946 12.137 -15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.834 13.435 -15.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.710 12.926 -14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.214 14.490 -14.477 1.00 0.00 H new ATOM 178 N PRO A 75 0.026 14.314 -10.010 1.00 0.00 N ATOM 179 CA PRO A 75 0.718 14.767 -8.800 1.00 0.00 C ATOM 180 C PRO A 75 -0.207 14.823 -7.589 1.00 0.00 C ATOM 181 O PRO A 75 -0.332 13.849 -6.846 1.00 0.00 O ATOM 182 CB PRO A 75 1.198 16.172 -9.172 1.00 0.00 C ATOM 183 CG PRO A 75 0.254 16.628 -10.230 1.00 0.00 C ATOM 184 CD PRO A 75 -0.135 15.394 -10.998 1.00 0.00 C ATOM 0 HA PRO A 75 1.521 14.089 -8.512 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.178 16.838 -8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.225 16.155 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.622 17.107 -9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.725 17.362 -10.884 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.160 15.455 -11.364 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.505 15.243 -11.867 1.00 0.00 H new ATOM 192 N PHE A 76 -0.853 15.968 -7.397 1.00 0.00 N ATOM 193 CA PHE A 76 -1.767 16.150 -6.275 1.00 0.00 C ATOM 194 C PHE A 76 -2.520 17.472 -6.396 1.00 0.00 C ATOM 195 O PHE A 76 -2.480 18.129 -7.437 1.00 0.00 O ATOM 196 CB PHE A 76 -1.000 16.107 -4.952 1.00 0.00 C ATOM 197 CG PHE A 76 -0.064 17.267 -4.764 1.00 0.00 C ATOM 198 CD1 PHE A 76 1.062 17.403 -5.559 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.311 18.221 -3.790 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.924 18.469 -5.389 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.547 19.290 -3.615 1.00 0.00 C ATOM 202 CZ PHE A 76 1.667 19.414 -4.414 1.00 0.00 C ATOM 0 H PHE A 76 -0.761 16.783 -8.003 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.491 15.336 -6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.713 16.089 -4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.431 15.179 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.269 16.666 -6.321 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.184 18.128 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.797 18.564 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.342 20.028 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.340 20.247 -4.277 1.00 0.00 H new ATOM 212 N VAL A 77 -3.206 17.856 -5.325 1.00 0.00 N ATOM 213 CA VAL A 77 -3.967 19.099 -5.309 1.00 0.00 C ATOM 214 C VAL A 77 -3.315 20.132 -4.397 1.00 0.00 C ATOM 215 O VAL A 77 -3.693 20.299 -3.237 1.00 0.00 O ATOM 216 CB VAL A 77 -5.417 18.863 -4.846 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.221 20.152 -4.930 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.068 17.764 -5.672 1.00 0.00 C ATOM 0 H VAL A 77 -3.250 17.324 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.977 19.477 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.400 18.541 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.243 19.966 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.765 20.908 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.233 20.507 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.092 17.611 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.075 18.054 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.504 16.838 -5.555 1.00 0.00 H new ATOM 228 N PRO A 78 -2.312 20.844 -4.932 1.00 0.00 N ATOM 229 CA PRO A 78 -1.586 21.874 -4.183 1.00 0.00 C ATOM 230 C PRO A 78 -2.444 23.105 -3.910 1.00 0.00 C ATOM 231 O PRO A 78 -3.650 23.099 -4.153 1.00 0.00 O ATOM 232 CB PRO A 78 -0.420 22.230 -5.109 1.00 0.00 C ATOM 233 CG PRO A 78 -0.903 21.886 -6.476 1.00 0.00 C ATOM 234 CD PRO A 78 -1.809 20.698 -6.308 1.00 0.00 C ATOM 0 HA PRO A 78 -1.275 21.520 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.163 23.287 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.476 21.665 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.437 22.724 -6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.069 21.650 -7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.621 20.706 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.270 19.760 -6.441 1.00 0.00 H new ATOM 424 N LEU B 550 -6.081 14.466 9.089 1.00 0.00 N ATOM 425 CA LEU B 550 -6.913 13.930 8.018 1.00 0.00 C ATOM 426 C LEU B 550 -8.083 13.132 8.585 1.00 0.00 C ATOM 427 O LEU B 550 -8.593 12.216 7.941 1.00 0.00 O ATOM 428 CB LEU B 550 -6.078 13.043 7.092 1.00 0.00 C ATOM 429 CG LEU B 550 -5.233 13.772 6.047 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.038 14.447 6.703 1.00 0.00 C ATOM 431 CD2 LEU B 550 -4.774 12.807 4.964 1.00 0.00 C ATOM 0 HA LEU B 550 -7.311 14.768 7.447 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.415 12.434 7.706 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -6.750 12.359 6.574 1.00 0.00 H new ATOM 0 HG LEU B 550 -5.849 14.542 5.582 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.448 14.961 5.944 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.388 15.169 7.441 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.420 13.696 7.195 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.174 13.344 4.229 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.175 12.015 5.413 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.644 12.370 4.473 1.00 0.00 H new ATOM 443 N ALA B 551 -8.505 13.489 9.794 1.00 0.00 N ATOM 444 CA ALA B 551 -9.618 12.810 10.446 1.00 0.00 C ATOM 445 C ALA B 551 -10.858 13.697 10.480 1.00 0.00 C ATOM 446 O ALA B 551 -11.986 13.204 10.465 1.00 0.00 O ATOM 447 CB ALA B 551 -9.227 12.390 11.855 1.00 0.00 C ATOM 0 H ALA B 551 -8.093 14.244 10.341 1.00 0.00 H new ATOM 0 HA ALA B 551 -9.858 11.918 9.867 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.067 11.884 12.330 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.374 11.712 11.809 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -8.959 13.272 12.436 1.00 0.00 H new ATOM 453 N SER B 552 -10.641 15.007 10.527 1.00 0.00 N ATOM 454 CA SER B 552 -11.742 15.963 10.568 1.00 0.00 C ATOM 455 C SER B 552 -11.765 16.819 9.306 1.00 0.00 C ATOM 456 O SER B 552 -12.284 17.935 9.310 1.00 0.00 O ATOM 457 CB SER B 552 -11.623 16.858 11.804 1.00 0.00 C ATOM 458 OG SER B 552 -11.087 16.141 12.903 1.00 0.00 O ATOM 0 H SER B 552 -9.713 15.431 10.538 1.00 0.00 H new ATOM 0 HA SER B 552 -12.675 15.403 10.623 1.00 0.00 H new ATOM 0 HB2 SER B 552 -10.986 17.713 11.578 1.00 0.00 H new ATOM 0 HB3 SER B 552 -12.604 17.253 12.067 1.00 0.00 H new ATOM 0 HG SER B 552 -11.019 16.735 13.679 1.00 0.00 H new ATOM 464 N ALA B 553 -11.200 16.288 8.227 1.00 0.00 N ATOM 465 CA ALA B 553 -11.157 17.002 6.957 1.00 0.00 C ATOM 466 C ALA B 553 -11.775 16.170 5.839 1.00 0.00 C ATOM 467 O ALA B 553 -11.902 14.949 5.938 1.00 0.00 O ATOM 468 CB ALA B 553 -9.723 17.374 6.609 1.00 0.00 C ATOM 0 H ALA B 553 -10.766 15.365 8.207 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.743 17.915 7.062 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.706 17.907 5.658 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.313 18.014 7.391 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.122 16.469 6.529 1.00 0.00 H new ATOM 474 N PRO B 554 -12.171 16.843 4.749 1.00 0.00 N ATOM 475 CA PRO B 554 -12.783 16.186 3.590 1.00 0.00 C ATOM 476 C PRO B 554 -11.788 15.326 2.819 1.00 0.00 C ATOM 477 O PRO B 554 -10.576 15.404 3.021 1.00 0.00 O ATOM 478 CB PRO B 554 -13.260 17.357 2.728 1.00 0.00 C ATOM 479 CG PRO B 554 -12.371 18.492 3.106 1.00 0.00 C ATOM 480 CD PRO B 554 -12.050 18.299 4.562 1.00 0.00 C ATOM 0 HA PRO B 554 -13.581 15.503 3.883 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.178 17.126 1.666 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.306 17.592 2.923 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.463 18.494 2.503 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.867 19.448 2.939 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.048 18.653 4.803 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.743 18.845 5.202 1.00 0.00 H new ATOM 488 N PRO B 555 -12.309 14.487 1.911 1.00 0.00 N ATOM 489 CA PRO B 555 -11.483 13.597 1.090 1.00 0.00 C ATOM 490 C PRO B 555 -10.661 14.360 0.056 1.00 0.00 C ATOM 491 O PRO B 555 -9.793 13.788 -0.604 1.00 0.00 O ATOM 492 CB PRO B 555 -12.510 12.698 0.398 1.00 0.00 C ATOM 493 CG PRO B 555 -13.761 13.505 0.368 1.00 0.00 C ATOM 494 CD PRO B 555 -13.744 14.342 1.617 1.00 0.00 C ATOM 0 HA PRO B 555 -10.753 13.051 1.688 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.187 12.430 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.653 11.766 0.945 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.799 14.133 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.640 12.861 0.342 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.222 15.309 1.459 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.274 13.854 2.435 1.00 0.00 H new ATOM 502 N GLN B 556 -10.939 15.652 -0.078 1.00 0.00 N ATOM 503 CA GLN B 556 -10.225 16.492 -1.032 1.00 0.00 C ATOM 504 C GLN B 556 -9.086 17.244 -0.349 1.00 0.00 C ATOM 505 O GLN B 556 -7.995 17.370 -0.902 1.00 0.00 O ATOM 506 CB GLN B 556 -11.185 17.485 -1.689 1.00 0.00 C ATOM 507 CG GLN B 556 -12.127 16.844 -2.695 1.00 0.00 C ATOM 508 CD GLN B 556 -12.985 17.861 -3.422 1.00 0.00 C ATOM 509 OE1 GLN B 556 -12.492 18.624 -4.254 1.00 0.00 O ATOM 510 NE2 GLN B 556 -14.276 17.877 -3.112 1.00 0.00 N ATOM 0 H GLN B 556 -11.654 16.140 0.462 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.801 15.845 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.774 17.976 -0.914 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.606 18.261 -2.189 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.545 16.279 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.772 16.132 -2.180 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -14.642 17.227 -2.417 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -14.902 18.540 -3.569 1.00 0.00 H new ATOM 519 N GLU B 557 -9.350 17.741 0.855 1.00 0.00 N ATOM 520 CA GLU B 557 -8.348 18.482 1.612 1.00 0.00 C ATOM 521 C GLU B 557 -7.215 17.562 2.059 1.00 0.00 C ATOM 522 O GLU B 557 -6.126 18.023 2.399 1.00 0.00 O ATOM 523 CB GLU B 557 -8.987 19.151 2.830 1.00 0.00 C ATOM 524 CG GLU B 557 -8.023 20.015 3.626 1.00 0.00 C ATOM 525 CD GLU B 557 -8.472 21.461 3.712 1.00 0.00 C ATOM 526 OE1 GLU B 557 -8.140 22.241 2.794 1.00 0.00 O ATOM 527 OE2 GLU B 557 -9.154 21.814 4.696 1.00 0.00 O ATOM 0 H GLU B 557 -10.249 17.644 1.327 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.934 19.252 0.961 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.824 19.766 2.499 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -9.396 18.381 3.484 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -7.923 19.609 4.633 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -7.036 19.971 3.165 1.00 0.00 H new ATOM 534 N GLN B 558 -7.481 16.260 2.056 1.00 0.00 N ATOM 535 CA GLN B 558 -6.485 15.276 2.462 1.00 0.00 C ATOM 536 C GLN B 558 -5.233 15.381 1.599 1.00 0.00 C ATOM 537 O GLN B 558 -4.161 15.745 2.082 1.00 0.00 O ATOM 538 CB GLN B 558 -7.066 13.864 2.371 1.00 0.00 C ATOM 539 CG GLN B 558 -8.244 13.629 3.302 1.00 0.00 C ATOM 540 CD GLN B 558 -8.144 12.314 4.050 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.485 11.378 3.597 1.00 0.00 O ATOM 542 NE2 GLN B 558 -8.799 12.236 5.202 1.00 0.00 N ATOM 0 H GLN B 558 -8.378 15.862 1.777 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.209 15.481 3.496 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.382 13.676 1.345 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.282 13.142 2.601 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.304 14.447 4.020 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.168 13.644 2.724 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.333 13.036 5.540 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -8.768 11.376 5.749 1.00 0.00 H new ATOM 551 N LYS B 559 -5.375 15.058 0.317 1.00 0.00 N ATOM 552 CA LYS B 559 -4.256 15.117 -0.615 1.00 0.00 C ATOM 553 C LYS B 559 -3.562 16.473 -0.549 1.00 0.00 C ATOM 554 O LYS B 559 -2.348 16.568 -0.729 1.00 0.00 O ATOM 555 CB LYS B 559 -4.740 14.849 -2.042 1.00 0.00 C ATOM 556 CG LYS B 559 -5.923 15.708 -2.454 1.00 0.00 C ATOM 557 CD LYS B 559 -6.525 15.236 -3.767 1.00 0.00 C ATOM 558 CE LYS B 559 -7.242 13.905 -3.605 1.00 0.00 C ATOM 559 NZ LYS B 559 -6.363 12.755 -3.955 1.00 0.00 N ATOM 0 H LYS B 559 -6.255 14.753 -0.099 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.538 14.348 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.917 15.023 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.016 13.798 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.683 15.680 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.604 16.746 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -7.225 15.985 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -5.738 15.138 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -7.585 13.800 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -8.129 13.891 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -6.733 12.281 -4.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -5.400 13.099 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -6.341 12.081 -3.163 1.00 0.00 H new ATOM 573 N GLN B 560 -4.340 17.519 -0.287 1.00 0.00 N ATOM 574 CA GLN B 560 -3.798 18.869 -0.196 1.00 0.00 C ATOM 575 C GLN B 560 -2.803 18.980 0.955 1.00 0.00 C ATOM 576 O GLN B 560 -1.602 19.140 0.736 1.00 0.00 O ATOM 577 CB GLN B 560 -4.928 19.883 -0.008 1.00 0.00 C ATOM 578 CG GLN B 560 -5.881 19.959 -1.190 1.00 0.00 C ATOM 579 CD GLN B 560 -6.178 21.385 -1.609 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.338 21.778 -1.736 1.00 0.00 O ATOM 581 NE2 GLN B 560 -5.129 22.169 -1.828 1.00 0.00 N ATOM 0 H GLN B 560 -5.347 17.457 -0.134 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.275 19.087 -1.127 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.493 19.623 0.887 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.495 20.869 0.163 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.452 19.418 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -6.814 19.458 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -4.185 21.802 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -5.268 23.138 -2.113 1.00 0.00 H new ATOM 590 N MET B 561 -3.310 18.895 2.180 1.00 0.00 N ATOM 591 CA MET B 561 -2.465 18.985 3.365 1.00 0.00 C ATOM 592 C MET B 561 -1.389 17.903 3.349 1.00 0.00 C ATOM 593 O MET B 561 -0.198 18.197 3.461 1.00 0.00 O ATOM 594 CB MET B 561 -3.312 18.859 4.633 1.00 0.00 C ATOM 595 CG MET B 561 -4.463 19.850 4.696 1.00 0.00 C ATOM 596 SD MET B 561 -5.563 19.549 6.092 1.00 0.00 S ATOM 597 CE MET B 561 -6.241 17.951 5.650 1.00 0.00 C ATOM 0 H MET B 561 -4.302 18.764 2.378 1.00 0.00 H new ATOM 0 HA MET B 561 -1.976 19.959 3.359 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.711 17.847 4.694 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.672 19.002 5.503 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.063 20.862 4.765 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.035 19.796 3.770 1.00 0.00 H new ATOM 0 HE1 MET B 561 -7.322 18.033 5.536 1.00 0.00 H new ATOM 0 HE2 MET B 561 -5.802 17.617 4.710 1.00 0.00 H new ATOM 0 HE3 MET B 561 -6.013 17.229 6.434 1.00 0.00 H new ATOM 607 N LEU B 562 -1.815 16.653 3.208 1.00 0.00 N ATOM 608 CA LEU B 562 -0.888 15.527 3.177 1.00 0.00 C ATOM 609 C LEU B 562 0.235 15.774 2.175 1.00 0.00 C ATOM 610 O LEU B 562 1.409 15.814 2.540 1.00 0.00 O ATOM 611 CB LEU B 562 -1.631 14.239 2.821 1.00 0.00 C ATOM 612 CG LEU B 562 -0.806 12.952 2.871 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.665 11.785 3.331 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.190 12.660 1.511 1.00 0.00 C ATOM 0 H LEU B 562 -2.797 16.393 3.113 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.448 15.423 4.169 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.477 14.131 3.500 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.041 14.345 1.817 1.00 0.00 H new ATOM 0 HG LEU B 562 0.001 13.088 3.591 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -1.061 10.878 3.360 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -2.057 11.992 4.327 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.493 11.647 2.636 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.393 11.741 1.566 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.981 12.544 0.770 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.460 13.486 1.221 1.00 0.00 H new ATOM 626 N GLY B 563 -0.135 15.941 0.909 1.00 0.00 N ATOM 627 CA GLY B 563 0.852 16.184 -0.127 1.00 0.00 C ATOM 628 C GLY B 563 1.675 17.429 0.138 1.00 0.00 C ATOM 629 O GLY B 563 2.855 17.486 -0.208 1.00 0.00 O ATOM 0 H GLY B 563 -1.101 15.912 0.582 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.516 15.322 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.348 16.283 -1.089 1.00 0.00 H new ATOM 633 N GLU B 564 1.051 18.430 0.751 1.00 0.00 N ATOM 634 CA GLU B 564 1.735 19.681 1.059 1.00 0.00 C ATOM 635 C GLU B 564 2.814 19.466 2.116 1.00 0.00 C ATOM 636 O GLU B 564 3.917 20.002 2.010 1.00 0.00 O ATOM 637 CB GLU B 564 0.732 20.730 1.545 1.00 0.00 C ATOM 638 CG GLU B 564 0.051 21.489 0.418 1.00 0.00 C ATOM 639 CD GLU B 564 -1.250 22.134 0.852 1.00 0.00 C ATOM 640 OE1 GLU B 564 -1.947 21.546 1.706 1.00 0.00 O ATOM 641 OE2 GLU B 564 -1.572 23.226 0.339 1.00 0.00 O ATOM 0 H GLU B 564 0.074 18.399 1.044 1.00 0.00 H new ATOM 0 HA GLU B 564 2.211 20.039 0.146 1.00 0.00 H new ATOM 0 HB2 GLU B 564 -0.028 20.239 2.153 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.247 21.441 2.191 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.726 22.258 0.043 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.144 20.806 -0.409 1.00 0.00 H new ATOM 648 N ARG B 565 2.487 18.678 3.136 1.00 0.00 N ATOM 649 CA ARG B 565 3.427 18.393 4.213 1.00 0.00 C ATOM 650 C ARG B 565 4.464 17.365 3.772 1.00 0.00 C ATOM 651 O ARG B 565 5.623 17.418 4.187 1.00 0.00 O ATOM 652 CB ARG B 565 2.681 17.883 5.447 1.00 0.00 C ATOM 653 CG ARG B 565 2.325 18.977 6.440 1.00 0.00 C ATOM 654 CD ARG B 565 2.357 18.464 7.871 1.00 0.00 C ATOM 655 NE ARG B 565 3.701 18.065 8.280 1.00 0.00 N ATOM 656 CZ ARG B 565 4.638 18.926 8.663 1.00 0.00 C ATOM 657 NH1 ARG B 565 4.378 20.226 8.689 1.00 0.00 N ATOM 658 NH2 ARG B 565 5.837 18.486 9.021 1.00 0.00 N ATOM 0 H ARG B 565 1.578 18.226 3.239 1.00 0.00 H new ATOM 0 HA ARG B 565 3.943 19.319 4.465 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.767 17.383 5.127 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.295 17.135 5.949 1.00 0.00 H new ATOM 0 HG2 ARG B 565 3.024 19.807 6.334 1.00 0.00 H new ATOM 0 HG3 ARG B 565 1.332 19.366 6.214 1.00 0.00 H new ATOM 0 HD2 ARG B 565 1.989 19.240 8.542 1.00 0.00 H new ATOM 0 HD3 ARG B 565 1.682 17.614 7.966 1.00 0.00 H new ATOM 0 HE ARG B 565 3.933 17.072 8.271 1.00 0.00 H new ATOM 0 HH11 ARG B 565 3.457 20.567 8.415 1.00 0.00 H new ATOM 0 HH12 ARG B 565 5.099 20.885 8.983 1.00 0.00 H new ATOM 0 HH21 ARG B 565 6.040 17.487 9.002 1.00 0.00 H new ATOM 0 HH22 ARG B 565 6.556 19.147 9.315 1.00 0.00 H new ATOM 672 N LEU B 566 4.041 16.430 2.928 1.00 0.00 N ATOM 673 CA LEU B 566 4.934 15.389 2.430 1.00 0.00 C ATOM 674 C LEU B 566 5.876 15.943 1.366 1.00 0.00 C ATOM 675 O LEU B 566 6.979 15.432 1.172 1.00 0.00 O ATOM 676 CB LEU B 566 4.122 14.227 1.854 1.00 0.00 C ATOM 677 CG LEU B 566 4.024 12.978 2.730 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.702 12.957 3.482 1.00 0.00 C ATOM 679 CD2 LEU B 566 4.180 11.721 1.886 1.00 0.00 C ATOM 0 H LEU B 566 3.086 16.371 2.574 1.00 0.00 H new ATOM 0 HA LEU B 566 5.533 15.027 3.266 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.112 14.582 1.648 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.561 13.942 0.898 1.00 0.00 H new ATOM 0 HG LEU B 566 4.833 13.004 3.460 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.649 12.061 4.100 1.00 0.00 H new ATOM 0 HD12 LEU B 566 2.630 13.841 4.116 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.878 12.954 2.769 1.00 0.00 H new ATOM 0 HD21 LEU B 566 4.108 10.842 2.526 1.00 0.00 H new ATOM 0 HD22 LEU B 566 3.392 11.688 1.133 1.00 0.00 H new ATOM 0 HD23 LEU B 566 5.152 11.732 1.393 1.00 0.00 H new ATOM 691 N PHE B 567 5.435 16.992 0.680 1.00 0.00 N ATOM 692 CA PHE B 567 6.240 17.617 -0.363 1.00 0.00 C ATOM 693 C PHE B 567 7.661 17.877 0.128 1.00 0.00 C ATOM 694 O PHE B 567 8.640 17.400 -0.446 1.00 0.00 O ATOM 695 CB PHE B 567 5.597 18.929 -0.816 1.00 0.00 C ATOM 696 CG PHE B 567 6.581 19.919 -1.371 1.00 0.00 C ATOM 697 CD1 PHE B 567 7.425 19.568 -2.412 1.00 0.00 C ATOM 698 CD2 PHE B 567 6.662 21.201 -0.851 1.00 0.00 C ATOM 699 CE1 PHE B 567 8.331 20.476 -2.925 1.00 0.00 C ATOM 700 CE2 PHE B 567 7.566 22.114 -1.360 1.00 0.00 C ATOM 701 CZ PHE B 567 8.402 21.751 -2.398 1.00 0.00 C ATOM 0 H PHE B 567 4.524 17.427 0.828 1.00 0.00 H new ATOM 0 HA PHE B 567 6.287 16.932 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.845 18.713 -1.574 1.00 0.00 H new ATOM 0 HB3 PHE B 567 5.077 19.380 0.029 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.374 18.572 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE B 567 6.011 21.490 -0.039 1.00 0.00 H new ATOM 0 HE1 PHE B 567 8.983 20.189 -3.737 1.00 0.00 H new ATOM 0 HE2 PHE B 567 7.619 23.110 -0.947 1.00 0.00 H new ATOM 0 HZ PHE B 567 9.110 22.463 -2.797 1.00 0.00 H new ATOM 711 N PRO B 568 7.777 18.652 1.217 1.00 0.00 N ATOM 712 CA PRO B 568 9.073 18.994 1.810 1.00 0.00 C ATOM 713 C PRO B 568 9.742 17.795 2.473 1.00 0.00 C ATOM 714 O PRO B 568 10.947 17.584 2.327 1.00 0.00 O ATOM 715 CB PRO B 568 8.716 20.053 2.856 1.00 0.00 C ATOM 716 CG PRO B 568 7.296 19.774 3.208 1.00 0.00 C ATOM 717 CD PRO B 568 6.652 19.254 1.952 1.00 0.00 C ATOM 0 HA PRO B 568 9.786 19.338 1.061 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.362 19.979 3.731 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.834 21.060 2.456 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.230 19.041 4.012 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.796 20.677 3.558 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.877 18.520 2.172 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.181 20.054 1.381 1.00 0.00 H new ATOM 725 N LEU B 569 8.954 17.011 3.200 1.00 0.00 N ATOM 726 CA LEU B 569 9.470 15.831 3.886 1.00 0.00 C ATOM 727 C LEU B 569 10.261 14.947 2.927 1.00 0.00 C ATOM 728 O LEU B 569 11.259 14.337 3.311 1.00 0.00 O ATOM 729 CB LEU B 569 8.320 15.033 4.503 1.00 0.00 C ATOM 730 CG LEU B 569 8.661 14.226 5.757 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.687 13.150 5.437 1.00 0.00 C ATOM 732 CD2 LEU B 569 9.173 15.143 6.858 1.00 0.00 C ATOM 0 H LEU B 569 7.955 17.171 3.330 1.00 0.00 H new ATOM 0 HA LEU B 569 10.139 16.165 4.679 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.514 15.725 4.748 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.933 14.348 3.748 1.00 0.00 H new ATOM 0 HG LEU B 569 7.752 13.739 6.110 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.917 12.586 6.341 1.00 0.00 H new ATOM 0 HD12 LEU B 569 9.283 12.476 4.682 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.597 13.616 5.058 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.411 14.552 7.743 1.00 0.00 H new ATOM 0 HD22 LEU B 569 10.070 15.659 6.514 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.406 15.876 7.107 1.00 0.00 H new ATOM 744 N ILE B 570 9.809 14.885 1.679 1.00 0.00 N ATOM 745 CA ILE B 570 10.477 14.078 0.665 1.00 0.00 C ATOM 746 C ILE B 570 11.755 14.754 0.179 1.00 0.00 C ATOM 747 O ILE B 570 12.740 14.086 -0.136 1.00 0.00 O ATOM 748 CB ILE B 570 9.557 13.817 -0.542 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.378 12.933 -0.131 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.341 13.170 -1.675 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.337 12.770 -1.216 1.00 0.00 C ATOM 0 H ILE B 570 8.984 15.383 1.346 1.00 0.00 H new ATOM 0 HA ILE B 570 10.728 13.126 1.133 1.00 0.00 H new ATOM 0 HB ILE B 570 9.166 14.771 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.753 11.949 0.152 1.00 0.00 H new ATOM 0 HG13 ILE B 570 7.905 13.360 0.753 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.677 12.992 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.150 13.832 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.757 12.222 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.531 12.131 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.934 13.747 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.795 12.314 -2.094 1.00 0.00 H new ATOM 763 N GLN B 571 11.731 16.082 0.123 1.00 0.00 N ATOM 764 CA GLN B 571 12.889 16.848 -0.324 1.00 0.00 C ATOM 765 C GLN B 571 14.115 16.526 0.525 1.00 0.00 C ATOM 766 O GLN B 571 15.250 16.728 0.094 1.00 0.00 O ATOM 767 CB GLN B 571 12.590 18.346 -0.261 1.00 0.00 C ATOM 768 CG GLN B 571 11.540 18.800 -1.263 1.00 0.00 C ATOM 769 CD GLN B 571 11.340 20.302 -1.258 1.00 0.00 C ATOM 770 OE1 GLN B 571 10.452 20.820 -0.580 1.00 0.00 O ATOM 771 NE2 GLN B 571 12.166 21.012 -2.017 1.00 0.00 N ATOM 0 H GLN B 571 10.924 16.649 0.381 1.00 0.00 H new ATOM 0 HA GLN B 571 13.101 16.570 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.254 18.599 0.745 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.512 18.900 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN B 571 11.835 18.480 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.593 18.310 -1.038 1.00 0.00 H new ATOM 0 HE21 GLN B 571 12.888 20.542 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN B 571 12.079 22.028 -2.054 1.00 0.00 H new ATOM 780 N ALA B 572 13.878 16.024 1.732 1.00 0.00 N ATOM 781 CA ALA B 572 14.962 15.673 2.640 1.00 0.00 C ATOM 782 C ALA B 572 15.987 14.778 1.951 1.00 0.00 C ATOM 783 O ALA B 572 17.180 14.845 2.245 1.00 0.00 O ATOM 784 CB ALA B 572 14.410 14.987 3.882 1.00 0.00 C ATOM 0 H ALA B 572 12.944 15.851 2.104 1.00 0.00 H new ATOM 0 HA ALA B 572 15.464 16.593 2.939 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.231 14.730 4.551 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.722 15.660 4.394 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.882 14.079 3.592 1.00 0.00 H new ATOM 790 N MET B 573 15.513 13.941 1.034 1.00 0.00 N ATOM 791 CA MET B 573 16.390 13.034 0.303 1.00 0.00 C ATOM 792 C MET B 573 16.380 13.352 -1.189 1.00 0.00 C ATOM 793 O MET B 573 17.411 13.273 -1.858 1.00 0.00 O ATOM 794 CB MET B 573 15.960 11.583 0.529 1.00 0.00 C ATOM 795 CG MET B 573 14.453 11.387 0.523 1.00 0.00 C ATOM 796 SD MET B 573 13.739 11.440 2.178 1.00 0.00 S ATOM 797 CE MET B 573 12.038 11.000 1.826 1.00 0.00 C ATOM 0 H MET B 573 14.528 13.872 0.780 1.00 0.00 H new ATOM 0 HA MET B 573 17.404 13.168 0.678 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.402 10.957 -0.246 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.359 11.239 1.483 1.00 0.00 H new ATOM 0 HG2 MET B 573 13.992 12.160 -0.092 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.217 10.429 0.060 1.00 0.00 H new ATOM 0 HE1 MET B 573 11.383 11.461 2.565 1.00 0.00 H new ATOM 0 HE2 MET B 573 11.769 11.354 0.831 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.926 9.917 1.868 1.00 0.00 H new ATOM 807 N HIS B 574 15.209 13.712 -1.705 1.00 0.00 N ATOM 808 CA HIS B 574 15.066 14.043 -3.118 1.00 0.00 C ATOM 809 C HIS B 574 14.382 15.395 -3.293 1.00 0.00 C ATOM 810 O HIS B 574 13.202 15.482 -3.632 1.00 0.00 O ATOM 811 CB HIS B 574 14.266 12.957 -3.839 1.00 0.00 C ATOM 812 CG HIS B 574 15.109 11.827 -4.344 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.200 10.610 -3.703 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.902 11.734 -5.437 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.013 9.818 -4.378 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.452 10.476 -5.436 1.00 0.00 N ATOM 0 H HIS B 574 14.346 13.782 -1.166 1.00 0.00 H new ATOM 0 HA HIS B 574 16.063 14.101 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.512 12.561 -3.159 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.734 13.406 -4.678 1.00 0.00 H new ATOM 0 HD2 HIS B 574 16.071 12.506 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.274 8.805 -4.111 1.00 0.00 H new ATOM 0 HE2 HIS B 574 17.095 10.109 -6.138 1.00 0.00 H new ATOM 824 N PRO B 575 15.139 16.477 -3.056 1.00 0.00 N ATOM 825 CA PRO B 575 14.627 17.845 -3.181 1.00 0.00 C ATOM 826 C PRO B 575 14.355 18.232 -4.630 1.00 0.00 C ATOM 827 O PRO B 575 13.789 19.290 -4.906 1.00 0.00 O ATOM 828 CB PRO B 575 15.756 18.700 -2.601 1.00 0.00 C ATOM 829 CG PRO B 575 16.986 17.881 -2.787 1.00 0.00 C ATOM 830 CD PRO B 575 16.554 16.447 -2.648 1.00 0.00 C ATOM 0 HA PRO B 575 13.673 17.972 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.835 19.656 -3.119 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.584 18.922 -1.548 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.431 18.061 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.740 18.135 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.142 15.786 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.670 16.090 -1.625 1.00 0.00 H new ATOM 838 N THR B 576 14.763 17.368 -5.555 1.00 0.00 N ATOM 839 CA THR B 576 14.564 17.620 -6.977 1.00 0.00 C ATOM 840 C THR B 576 13.363 16.846 -7.510 1.00 0.00 C ATOM 841 O THR B 576 12.514 17.401 -8.208 1.00 0.00 O ATOM 842 CB THR B 576 15.811 17.238 -7.795 1.00 0.00 C ATOM 843 OG1 THR B 576 16.445 16.091 -7.216 1.00 0.00 O ATOM 844 CG2 THR B 576 16.798 18.395 -7.850 1.00 0.00 C ATOM 0 H THR B 576 15.233 16.488 -5.344 1.00 0.00 H new ATOM 0 HA THR B 576 14.381 18.689 -7.086 1.00 0.00 H new ATOM 0 HB THR B 576 15.493 17.003 -8.811 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.236 15.854 -7.743 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.671 18.101 -8.433 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.322 19.257 -8.318 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.109 18.657 -6.839 1.00 0.00 H new ATOM 852 N LEU B 577 13.298 15.562 -7.176 1.00 0.00 N ATOM 853 CA LEU B 577 12.200 14.710 -7.621 1.00 0.00 C ATOM 854 C LEU B 577 11.091 14.661 -6.575 1.00 0.00 C ATOM 855 O LEU B 577 10.185 13.833 -6.656 1.00 0.00 O ATOM 856 CB LEU B 577 12.709 13.297 -7.909 1.00 0.00 C ATOM 857 CG LEU B 577 13.700 13.163 -9.066 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.204 13.927 -10.284 1.00 0.00 C ATOM 859 CD2 LEU B 577 15.077 13.656 -8.649 1.00 0.00 C ATOM 0 H LEU B 577 13.992 15.088 -6.599 1.00 0.00 H new ATOM 0 HA LEU B 577 11.791 15.135 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.182 12.912 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.850 12.658 -8.117 1.00 0.00 H new ATOM 0 HG LEU B 577 13.779 12.109 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.922 13.820 -11.097 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.239 13.527 -10.596 1.00 0.00 H new ATOM 0 HD13 LEU B 577 13.095 14.982 -10.032 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.769 13.553 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU B 577 15.015 14.704 -8.356 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.435 13.065 -7.806 1.00 0.00 H new ATOM 871 N ALA B 578 11.170 15.554 -5.594 1.00 0.00 N ATOM 872 CA ALA B 578 10.171 15.615 -4.534 1.00 0.00 C ATOM 873 C ALA B 578 8.762 15.702 -5.112 1.00 0.00 C ATOM 874 O ALA B 578 7.888 14.910 -4.764 1.00 0.00 O ATOM 875 CB ALA B 578 10.443 16.801 -3.620 1.00 0.00 C ATOM 0 H ALA B 578 11.916 16.245 -5.511 1.00 0.00 H new ATOM 0 HA ALA B 578 10.240 14.697 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.689 16.834 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.431 16.696 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.404 17.723 -4.199 1.00 0.00 H new ATOM 881 N GLY B 579 8.549 16.672 -5.997 1.00 0.00 N ATOM 882 CA GLY B 579 7.244 16.845 -6.608 1.00 0.00 C ATOM 883 C GLY B 579 6.699 15.554 -7.186 1.00 0.00 C ATOM 884 O GLY B 579 5.571 15.160 -6.892 1.00 0.00 O ATOM 0 H GLY B 579 9.257 17.341 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.546 17.230 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.312 17.593 -7.398 1.00 0.00 H new ATOM 888 N LYS B 580 7.502 14.894 -8.014 1.00 0.00 N ATOM 889 CA LYS B 580 7.095 13.640 -8.637 1.00 0.00 C ATOM 890 C LYS B 580 6.847 12.564 -7.584 1.00 0.00 C ATOM 891 O LYS B 580 5.822 11.884 -7.609 1.00 0.00 O ATOM 892 CB LYS B 580 8.164 13.166 -9.624 1.00 0.00 C ATOM 893 CG LYS B 580 8.340 14.088 -10.819 1.00 0.00 C ATOM 894 CD LYS B 580 7.428 13.691 -11.968 1.00 0.00 C ATOM 895 CE LYS B 580 8.088 13.943 -13.315 1.00 0.00 C ATOM 896 NZ LYS B 580 7.838 15.327 -13.805 1.00 0.00 N ATOM 0 H LYS B 580 8.439 15.207 -8.269 1.00 0.00 H new ATOM 0 HA LYS B 580 6.164 13.817 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.116 13.077 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.902 12.170 -9.980 1.00 0.00 H new ATOM 0 HG2 LYS B 580 8.127 15.115 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS B 580 9.378 14.061 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS B 580 7.168 12.636 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS B 580 6.497 14.254 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS B 580 9.162 13.776 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS B 580 7.711 13.226 -14.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 8.304 15.459 -14.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 6.814 15.478 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 8.221 16.012 -13.122 1.00 0.00 H new ATOM 910 N ILE B 581 7.792 12.418 -6.662 1.00 0.00 N ATOM 911 CA ILE B 581 7.675 11.427 -5.599 1.00 0.00 C ATOM 912 C ILE B 581 6.369 11.599 -4.829 1.00 0.00 C ATOM 913 O ILE B 581 5.534 10.695 -4.792 1.00 0.00 O ATOM 914 CB ILE B 581 8.854 11.516 -4.613 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.175 11.253 -5.340 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.666 10.529 -3.471 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.352 11.990 -4.740 1.00 0.00 C ATOM 0 H ILE B 581 8.647 12.973 -6.629 1.00 0.00 H new ATOM 0 HA ILE B 581 7.686 10.448 -6.078 1.00 0.00 H new ATOM 0 HB ILE B 581 8.884 12.522 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.381 10.183 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.069 11.544 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.508 10.604 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.742 10.758 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.613 9.516 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.254 11.757 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.167 13.064 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.484 11.682 -3.703 1.00 0.00 H new ATOM 929 N THR B 582 6.199 12.766 -4.217 1.00 0.00 N ATOM 930 CA THR B 582 4.996 13.058 -3.448 1.00 0.00 C ATOM 931 C THR B 582 3.746 12.915 -4.309 1.00 0.00 C ATOM 932 O THR B 582 2.685 12.528 -3.820 1.00 0.00 O ATOM 933 CB THR B 582 5.038 14.479 -2.856 1.00 0.00 C ATOM 934 OG1 THR B 582 4.001 14.634 -1.881 1.00 0.00 O ATOM 935 CG2 THR B 582 4.875 15.525 -3.948 1.00 0.00 C ATOM 0 H THR B 582 6.880 13.525 -4.239 1.00 0.00 H new ATOM 0 HA THR B 582 4.958 12.335 -2.633 1.00 0.00 H new ATOM 0 HB THR B 582 6.008 14.622 -2.380 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.035 15.540 -1.508 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.908 16.521 -3.506 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.683 15.423 -4.673 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.918 15.382 -4.449 1.00 0.00 H new ATOM 943 N GLY B 583 3.878 13.229 -5.594 1.00 0.00 N ATOM 944 CA GLY B 583 2.751 13.129 -6.502 1.00 0.00 C ATOM 945 C GLY B 583 2.204 11.718 -6.593 1.00 0.00 C ATOM 946 O GLY B 583 1.040 11.475 -6.276 1.00 0.00 O ATOM 0 H GLY B 583 4.746 13.551 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.960 13.801 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY B 583 3.057 13.462 -7.494 1.00 0.00 H new ATOM 950 N MET B 584 3.044 10.786 -7.029 1.00 0.00 N ATOM 951 CA MET B 584 2.637 9.392 -7.161 1.00 0.00 C ATOM 952 C MET B 584 2.312 8.789 -5.798 1.00 0.00 C ATOM 953 O MET B 584 1.299 8.108 -5.635 1.00 0.00 O ATOM 954 CB MET B 584 3.740 8.578 -7.842 1.00 0.00 C ATOM 955 CG MET B 584 4.160 9.134 -9.192 1.00 0.00 C ATOM 956 SD MET B 584 5.743 8.478 -9.753 1.00 0.00 S ATOM 957 CE MET B 584 6.862 9.253 -8.589 1.00 0.00 C ATOM 0 H MET B 584 4.011 10.970 -7.297 1.00 0.00 H new ATOM 0 HA MET B 584 1.738 9.359 -7.777 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.610 8.541 -7.187 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.395 7.552 -7.972 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.393 8.902 -9.931 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.223 10.220 -9.129 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.830 8.753 -8.627 1.00 0.00 H new ATOM 0 HE2 MET B 584 6.986 10.304 -8.849 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.452 9.174 -7.582 1.00 0.00 H new ATOM 967 N LEU B 585 3.177 9.043 -4.822 1.00 0.00 N ATOM 968 CA LEU B 585 2.982 8.524 -3.473 1.00 0.00 C ATOM 969 C LEU B 585 1.647 8.989 -2.899 1.00 0.00 C ATOM 970 O LEU B 585 1.028 8.291 -2.095 1.00 0.00 O ATOM 971 CB LEU B 585 4.125 8.974 -2.562 1.00 0.00 C ATOM 972 CG LEU B 585 5.333 8.040 -2.490 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.783 7.640 -3.886 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.473 8.700 -1.728 1.00 0.00 C ATOM 0 H LEU B 585 4.020 9.605 -4.940 1.00 0.00 H new ATOM 0 HA LEU B 585 2.975 7.435 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.467 9.953 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.730 9.103 -1.554 1.00 0.00 H new ATOM 0 HG LEU B 585 5.039 7.138 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.644 6.975 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU B 585 4.969 7.126 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.059 8.532 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.324 8.021 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.766 9.619 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.146 8.934 -0.715 1.00 0.00 H new ATOM 986 N LEU B 586 1.207 10.170 -3.319 1.00 0.00 N ATOM 987 CA LEU B 586 -0.056 10.727 -2.849 1.00 0.00 C ATOM 988 C LEU B 586 -1.230 10.158 -3.640 1.00 0.00 C ATOM 989 O LEU B 586 -2.375 10.208 -3.191 1.00 0.00 O ATOM 990 CB LEU B 586 -0.039 12.252 -2.967 1.00 0.00 C ATOM 991 CG LEU B 586 -1.374 12.959 -2.730 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.150 14.327 -2.103 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.148 13.088 -4.034 1.00 0.00 C ATOM 0 H LEU B 586 1.706 10.760 -3.984 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.179 10.451 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.688 12.643 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.317 12.515 -3.963 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.964 12.358 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.111 14.815 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.638 14.210 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.540 14.937 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.095 13.593 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.563 13.667 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.341 12.096 -4.442 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.936 9.616 -4.818 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.968 9.037 -5.669 1.00 0.00 C ATOM 1007 C GLU B 587 -2.392 7.664 -5.154 1.00 0.00 C ATOM 1008 O GLU B 587 -3.570 7.428 -4.883 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.465 8.919 -7.110 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.579 8.773 -8.133 1.00 0.00 C ATOM 1011 CD GLU B 587 -3.277 7.430 -8.048 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -2.691 6.426 -8.503 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -4.411 7.384 -7.525 1.00 0.00 O ATOM 0 H GLU B 587 0.007 9.566 -5.204 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.834 9.698 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -0.873 9.802 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.800 8.059 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.310 9.568 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -2.167 8.901 -9.134 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.424 6.764 -5.021 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.696 5.416 -4.538 1.00 0.00 C ATOM 1022 C ILE B 588 -2.825 5.417 -3.513 1.00 0.00 C ATOM 1023 O ILE B 588 -3.876 4.815 -3.732 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.443 4.781 -3.905 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.514 5.870 -3.414 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.251 3.869 -4.905 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.525 5.375 -2.403 1.00 0.00 C ATOM 0 H ILE B 588 -0.444 6.944 -5.241 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.995 4.825 -5.404 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.750 4.181 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.043 6.290 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE B 588 -0.066 6.679 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.134 3.428 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.433 3.077 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.549 4.448 -5.779 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.170 6.200 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.004 4.981 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.131 4.587 -2.850 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.601 6.098 -2.395 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.600 6.180 -1.336 1.00 0.00 C ATOM 1041 C ASP B 589 -3.038 6.898 -0.113 1.00 0.00 C ATOM 1042 O ASP B 589 -2.158 6.379 0.573 1.00 0.00 O ATOM 1043 CB ASP B 589 -4.079 4.781 -0.947 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.572 4.605 -1.140 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.082 4.990 -2.213 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -6.231 4.082 -0.217 1.00 0.00 O ATOM 0 H ASP B 589 -1.736 6.602 -2.198 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.447 6.753 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.549 4.040 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.826 4.590 0.096 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.553 8.094 0.154 1.00 0.00 N ATOM 1052 CA ASN B 590 -3.101 8.883 1.294 1.00 0.00 C ATOM 1053 C ASN B 590 -3.142 8.059 2.577 1.00 0.00 C ATOM 1054 O ASN B 590 -2.190 8.059 3.357 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.969 10.134 1.450 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.692 11.168 0.376 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.566 11.291 -0.108 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.721 11.917 -0.003 1.00 0.00 N ATOM 0 H ASN B 590 -4.283 8.538 -0.403 1.00 0.00 H new ATOM 0 HA ASN B 590 -2.070 9.184 1.110 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -5.021 9.850 1.414 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.791 10.576 2.430 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.596 12.629 -0.723 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.636 11.780 0.425 1.00 0.00 H new ATOM 1065 N SER B 591 -4.250 7.356 2.788 1.00 0.00 N ATOM 1066 CA SER B 591 -4.417 6.529 3.977 1.00 0.00 C ATOM 1067 C SER B 591 -3.228 5.590 4.156 1.00 0.00 C ATOM 1068 O SER B 591 -2.767 5.362 5.274 1.00 0.00 O ATOM 1069 CB SER B 591 -5.712 5.720 3.885 1.00 0.00 C ATOM 1070 OG SER B 591 -6.698 6.234 4.763 1.00 0.00 O ATOM 0 H SER B 591 -5.046 7.343 2.150 1.00 0.00 H new ATOM 0 HA SER B 591 -4.471 7.188 4.843 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.086 5.741 2.861 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.511 4.677 4.130 1.00 0.00 H new ATOM 0 HG SER B 591 -7.516 5.701 4.684 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.738 5.047 3.046 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.604 4.131 3.081 1.00 0.00 C ATOM 1078 C GLU B 592 -0.334 4.855 3.520 1.00 0.00 C ATOM 1079 O GLU B 592 0.528 4.274 4.181 1.00 0.00 O ATOM 1080 CB GLU B 592 -1.392 3.495 1.705 1.00 0.00 C ATOM 1081 CG GLU B 592 -0.436 2.314 1.722 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.964 1.124 0.945 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.302 1.296 -0.245 1.00 0.00 O ATOM 1084 OE2 GLU B 592 -1.040 0.022 1.526 1.00 0.00 O ATOM 0 H GLU B 592 -3.108 5.225 2.112 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.824 3.347 3.806 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -2.355 3.167 1.313 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -1.010 4.251 1.019 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.522 2.621 1.302 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -0.251 2.016 2.754 1.00 0.00 H new ATOM 1091 N LEU B 593 -0.225 6.125 3.146 1.00 0.00 N ATOM 1092 CA LEU B 593 0.940 6.929 3.500 1.00 0.00 C ATOM 1093 C LEU B 593 0.935 7.270 4.987 1.00 0.00 C ATOM 1094 O LEU B 593 1.986 7.316 5.628 1.00 0.00 O ATOM 1095 CB LEU B 593 0.969 8.214 2.671 1.00 0.00 C ATOM 1096 CG LEU B 593 0.422 8.106 1.247 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.555 9.436 0.522 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.142 7.005 0.482 1.00 0.00 C ATOM 0 H LEU B 593 -0.929 6.620 2.598 1.00 0.00 H new ATOM 0 HA LEU B 593 1.834 6.344 3.283 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.399 8.977 3.201 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.000 8.565 2.617 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.636 7.850 1.303 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.161 9.340 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU B 593 -0.006 10.201 1.059 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.606 9.722 0.476 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.740 6.942 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.207 7.231 0.436 1.00 0.00 H new ATOM 0 HD23 LEU B 593 0.995 6.052 0.991 1.00 0.00 H new ATOM 1110 N LEU B 594 -0.254 7.505 5.530 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.397 7.840 6.943 1.00 0.00 C ATOM 1112 C LEU B 594 0.035 6.673 7.825 1.00 0.00 C ATOM 1113 O LEU B 594 0.368 6.856 8.997 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.846 8.220 7.254 1.00 0.00 C ATOM 1115 CG LEU B 594 -2.220 9.684 7.022 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.708 9.897 7.252 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.402 10.593 7.927 1.00 0.00 C ATOM 0 H LEU B 594 -1.133 7.470 5.014 1.00 0.00 H new ATOM 0 HA LEU B 594 0.249 8.692 7.156 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.502 7.597 6.646 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -2.049 7.975 8.296 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.994 9.938 5.986 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.956 10.945 7.082 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.276 9.273 6.562 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.960 9.626 8.277 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.681 11.631 7.748 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.596 10.339 8.969 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.341 10.461 7.713 1.00 0.00 H new ATOM 1129 N HIS B 595 0.030 5.472 7.254 1.00 0.00 N ATOM 1130 CA HIS B 595 0.424 4.275 7.988 1.00 0.00 C ATOM 1131 C HIS B 595 1.773 3.757 7.498 1.00 0.00 C ATOM 1132 O HIS B 595 2.420 2.952 8.168 1.00 0.00 O ATOM 1133 CB HIS B 595 -0.638 3.186 7.838 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.838 2.369 9.077 1.00 0.00 C ATOM 1135 ND1 HIS B 595 -1.091 1.014 9.052 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.820 2.723 10.383 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -1.221 0.570 10.290 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -1.061 1.587 11.116 1.00 0.00 N ATOM 0 H HIS B 595 -0.242 5.302 6.286 1.00 0.00 H new ATOM 0 HA HIS B 595 0.516 4.539 9.042 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -1.585 3.649 7.562 1.00 0.00 H new ATOM 0 HB3 HIS B 595 -0.355 2.525 7.019 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -0.648 3.714 10.776 1.00 0.00 H new ATOM 0 HE1 HIS B 595 -1.424 -0.451 10.577 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -1.109 1.537 12.134 1.00 0.00 H new ATOM 1146 N MET B 596 2.191 4.224 6.326 1.00 0.00 N ATOM 1147 CA MET B 596 3.463 3.808 5.747 1.00 0.00 C ATOM 1148 C MET B 596 4.595 4.721 6.209 1.00 0.00 C ATOM 1149 O MET B 596 5.715 4.267 6.444 1.00 0.00 O ATOM 1150 CB MET B 596 3.379 3.813 4.220 1.00 0.00 C ATOM 1151 CG MET B 596 4.736 3.836 3.536 1.00 0.00 C ATOM 1152 SD MET B 596 5.177 5.473 2.923 1.00 0.00 S ATOM 1153 CE MET B 596 3.837 5.776 1.774 1.00 0.00 C ATOM 0 H MET B 596 1.667 4.891 5.759 1.00 0.00 H new ATOM 0 HA MET B 596 3.675 2.795 6.088 1.00 0.00 H new ATOM 0 HB2 MET B 596 2.831 2.930 3.892 1.00 0.00 H new ATOM 0 HB3 MET B 596 2.805 4.682 3.899 1.00 0.00 H new ATOM 0 HG2 MET B 596 5.498 3.498 4.238 1.00 0.00 H new ATOM 0 HG3 MET B 596 4.732 3.130 2.705 1.00 0.00 H new ATOM 0 HE1 MET B 596 4.239 5.888 0.767 1.00 0.00 H new ATOM 0 HE2 MET B 596 3.142 4.937 1.796 1.00 0.00 H new ATOM 0 HE3 MET B 596 3.313 6.688 2.059 1.00 0.00 H new ATOM 1163 N LEU B 597 4.295 6.009 6.336 1.00 0.00 N ATOM 1164 CA LEU B 597 5.288 6.986 6.769 1.00 0.00 C ATOM 1165 C LEU B 597 5.732 6.712 8.202 1.00 0.00 C ATOM 1166 O LEU B 597 6.723 7.271 8.672 1.00 0.00 O ATOM 1167 CB LEU B 597 4.719 8.402 6.661 1.00 0.00 C ATOM 1168 CG LEU B 597 3.996 8.931 7.900 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.013 7.897 8.426 1.00 0.00 C ATOM 1170 CD2 LEU B 597 4.997 9.316 8.979 1.00 0.00 C ATOM 0 H LEU B 597 3.373 6.401 6.145 1.00 0.00 H new ATOM 0 HA LEU B 597 6.157 6.899 6.116 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.536 9.083 6.423 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.026 8.430 5.821 1.00 0.00 H new ATOM 0 HG LEU B 597 3.437 9.823 7.617 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.508 8.291 9.308 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.276 7.671 7.656 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.550 6.987 8.692 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.464 9.690 9.853 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.584 8.442 9.259 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.661 10.092 8.599 1.00 0.00 H new ATOM 1182 N GLU B 598 4.993 5.848 8.890 1.00 0.00 N ATOM 1183 CA GLU B 598 5.313 5.499 10.270 1.00 0.00 C ATOM 1184 C GLU B 598 6.537 4.590 10.331 1.00 0.00 C ATOM 1185 O GLU B 598 7.059 4.305 11.410 1.00 0.00 O ATOM 1186 CB GLU B 598 4.119 4.812 10.935 1.00 0.00 C ATOM 1187 CG GLU B 598 3.976 3.345 10.564 1.00 0.00 C ATOM 1188 CD GLU B 598 4.756 2.430 11.489 1.00 0.00 C ATOM 1189 OE1 GLU B 598 4.720 2.659 12.716 1.00 0.00 O ATOM 1190 OE2 GLU B 598 5.401 1.487 10.986 1.00 0.00 O ATOM 0 H GLU B 598 4.169 5.377 8.515 1.00 0.00 H new ATOM 0 HA GLU B 598 5.539 6.419 10.808 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.219 4.896 12.017 1.00 0.00 H new ATOM 0 HB3 GLU B 598 3.206 5.339 10.657 1.00 0.00 H new ATOM 0 HG2 GLU B 598 2.922 3.069 10.590 1.00 0.00 H new ATOM 0 HG3 GLU B 598 4.319 3.198 9.540 1.00 0.00 H new ATOM 1197 N SER B 599 6.989 4.136 9.167 1.00 0.00 N ATOM 1198 CA SER B 599 8.149 3.256 9.087 1.00 0.00 C ATOM 1199 C SER B 599 9.225 3.853 8.185 1.00 0.00 C ATOM 1200 O SER B 599 8.944 4.394 7.116 1.00 0.00 O ATOM 1201 CB SER B 599 7.735 1.879 8.564 1.00 0.00 C ATOM 1202 OG SER B 599 8.816 0.964 8.624 1.00 0.00 O ATOM 0 H SER B 599 6.569 4.363 8.265 1.00 0.00 H new ATOM 0 HA SER B 599 8.561 3.148 10.090 1.00 0.00 H new ATOM 0 HB2 SER B 599 6.900 1.499 9.153 1.00 0.00 H new ATOM 0 HB3 SER B 599 7.386 1.967 7.535 1.00 0.00 H new ATOM 0 HG SER B 599 8.525 0.091 8.286 1.00 0.00 H new ATOM 1208 N PRO B 600 10.487 3.754 8.627 1.00 0.00 N ATOM 1209 CA PRO B 600 11.632 4.278 7.875 1.00 0.00 C ATOM 1210 C PRO B 600 11.908 3.478 6.607 1.00 0.00 C ATOM 1211 O PRO B 600 12.066 4.045 5.527 1.00 0.00 O ATOM 1212 CB PRO B 600 12.796 4.140 8.859 1.00 0.00 C ATOM 1213 CG PRO B 600 12.391 3.033 9.771 1.00 0.00 C ATOM 1214 CD PRO B 600 10.895 3.122 9.893 1.00 0.00 C ATOM 0 HA PRO B 600 11.463 5.300 7.535 1.00 0.00 H new ATOM 0 HB2 PRO B 600 13.726 3.906 8.342 1.00 0.00 H new ATOM 0 HB3 PRO B 600 12.961 5.066 9.409 1.00 0.00 H new ATOM 0 HG2 PRO B 600 12.693 2.066 9.369 1.00 0.00 H new ATOM 0 HG3 PRO B 600 12.869 3.136 10.745 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.442 2.138 10.015 1.00 0.00 H new ATOM 0 HD3 PRO B 600 10.597 3.719 10.755 1.00 0.00 H new ATOM 1222 N GLU B 601 11.965 2.157 6.747 1.00 0.00 N ATOM 1223 CA GLU B 601 12.223 1.280 5.611 1.00 0.00 C ATOM 1224 C GLU B 601 11.155 1.455 4.535 1.00 0.00 C ATOM 1225 O GLU B 601 11.402 1.208 3.354 1.00 0.00 O ATOM 1226 CB GLU B 601 12.268 -0.180 6.066 1.00 0.00 C ATOM 1227 CG GLU B 601 13.390 -0.477 7.047 1.00 0.00 C ATOM 1228 CD GLU B 601 14.756 -0.106 6.502 1.00 0.00 C ATOM 1229 OE1 GLU B 601 15.378 -0.955 5.830 1.00 0.00 O ATOM 1230 OE2 GLU B 601 15.201 1.035 6.747 1.00 0.00 O ATOM 0 H GLU B 601 11.836 1.671 7.635 1.00 0.00 H new ATOM 0 HA GLU B 601 13.190 1.552 5.187 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.315 -0.437 6.528 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.382 -0.821 5.192 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.212 0.070 7.973 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.378 -1.538 7.296 1.00 0.00 H new ATOM 1237 N SER B 602 9.968 1.884 4.951 1.00 0.00 N ATOM 1238 CA SER B 602 8.861 2.088 4.024 1.00 0.00 C ATOM 1239 C SER B 602 8.989 3.432 3.313 1.00 0.00 C ATOM 1240 O SER B 602 8.923 3.507 2.086 1.00 0.00 O ATOM 1241 CB SER B 602 7.526 2.017 4.768 1.00 0.00 C ATOM 1242 OG SER B 602 6.509 1.482 3.939 1.00 0.00 O ATOM 0 H SER B 602 9.748 2.097 5.924 1.00 0.00 H new ATOM 0 HA SER B 602 8.895 1.296 3.276 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.635 1.400 5.660 1.00 0.00 H new ATOM 0 HB3 SER B 602 7.239 3.014 5.104 1.00 0.00 H new ATOM 0 HG SER B 602 5.712 1.296 4.478 1.00 0.00 H new ATOM 1248 N LEU B 603 9.173 4.492 4.094 1.00 0.00 N ATOM 1249 CA LEU B 603 9.311 5.834 3.540 1.00 0.00 C ATOM 1250 C LEU B 603 10.399 5.874 2.472 1.00 0.00 C ATOM 1251 O LEU B 603 10.135 6.204 1.315 1.00 0.00 O ATOM 1252 CB LEU B 603 9.635 6.834 4.652 1.00 0.00 C ATOM 1253 CG LEU B 603 9.938 8.264 4.201 1.00 0.00 C ATOM 1254 CD1 LEU B 603 11.409 8.411 3.847 1.00 0.00 C ATOM 1255 CD2 LEU B 603 9.061 8.647 3.018 1.00 0.00 C ATOM 0 H LEU B 603 9.230 4.448 5.111 1.00 0.00 H new ATOM 0 HA LEU B 603 8.363 6.108 3.076 1.00 0.00 H new ATOM 0 HB2 LEU B 603 8.793 6.863 5.344 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.494 6.461 5.210 1.00 0.00 H new ATOM 0 HG LEU B 603 9.715 8.940 5.026 1.00 0.00 H new ATOM 0 HD11 LEU B 603 11.606 9.435 3.528 1.00 0.00 H new ATOM 0 HD12 LEU B 603 12.018 8.179 4.721 1.00 0.00 H new ATOM 0 HD13 LEU B 603 11.659 7.725 3.038 1.00 0.00 H new ATOM 0 HD21 LEU B 603 9.290 9.667 2.711 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.252 7.966 2.188 1.00 0.00 H new ATOM 0 HD23 LEU B 603 8.012 8.582 3.307 1.00 0.00 H new ATOM 1267 N ARG B 604 11.622 5.535 2.867 1.00 0.00 N ATOM 1268 CA ARG B 604 12.749 5.531 1.943 1.00 0.00 C ATOM 1269 C ARG B 604 12.464 4.636 0.741 1.00 0.00 C ATOM 1270 O ARG B 604 12.780 4.987 -0.396 1.00 0.00 O ATOM 1271 CB ARG B 604 14.018 5.057 2.655 1.00 0.00 C ATOM 1272 CG ARG B 604 15.291 5.311 1.865 1.00 0.00 C ATOM 1273 CD ARG B 604 16.530 5.069 2.712 1.00 0.00 C ATOM 1274 NE ARG B 604 16.956 6.276 3.415 1.00 0.00 N ATOM 1275 CZ ARG B 604 18.061 6.348 4.149 1.00 0.00 C ATOM 1276 NH1 ARG B 604 18.847 5.288 4.275 1.00 0.00 N ATOM 1277 NH2 ARG B 604 18.381 7.483 4.759 1.00 0.00 N ATOM 0 H ARG B 604 11.857 5.260 3.821 1.00 0.00 H new ATOM 0 HA ARG B 604 12.898 6.551 1.588 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.093 5.560 3.619 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.933 3.989 2.858 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.314 4.660 0.991 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.294 6.338 1.499 1.00 0.00 H new ATOM 0 HD2 ARG B 604 16.326 4.281 3.436 1.00 0.00 H new ATOM 0 HD3 ARG B 604 17.341 4.715 2.075 1.00 0.00 H new ATOM 0 HE ARG B 604 16.373 7.110 3.338 1.00 0.00 H new ATOM 0 HH11 ARG B 604 18.604 4.414 3.808 1.00 0.00 H new ATOM 0 HH12 ARG B 604 19.695 5.346 4.839 1.00 0.00 H new ATOM 0 HH21 ARG B 604 17.778 8.300 4.664 1.00 0.00 H new ATOM 0 HH22 ARG B 604 19.230 7.538 5.322 1.00 0.00 H new ATOM 1291 N SER B 605 11.865 3.478 1.000 1.00 0.00 N ATOM 1292 CA SER B 605 11.541 2.531 -0.060 1.00 0.00 C ATOM 1293 C SER B 605 10.673 3.187 -1.128 1.00 0.00 C ATOM 1294 O SER B 605 10.971 3.113 -2.321 1.00 0.00 O ATOM 1295 CB SER B 605 10.822 1.311 0.520 1.00 0.00 C ATOM 1296 OG SER B 605 10.029 0.671 -0.465 1.00 0.00 O ATOM 0 H SER B 605 11.594 3.173 1.935 1.00 0.00 H new ATOM 0 HA SER B 605 12.474 2.208 -0.523 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.554 0.607 0.916 1.00 0.00 H new ATOM 0 HB3 SER B 605 10.192 1.619 1.355 1.00 0.00 H new ATOM 0 HG SER B 605 9.581 -0.106 -0.070 1.00 0.00 H new ATOM 1302 N LYS B 606 9.595 3.831 -0.693 1.00 0.00 N ATOM 1303 CA LYS B 606 8.681 4.502 -1.609 1.00 0.00 C ATOM 1304 C LYS B 606 9.412 5.566 -2.423 1.00 0.00 C ATOM 1305 O LYS B 606 9.357 5.567 -3.653 1.00 0.00 O ATOM 1306 CB LYS B 606 7.527 5.142 -0.834 1.00 0.00 C ATOM 1307 CG LYS B 606 6.570 4.132 -0.225 1.00 0.00 C ATOM 1308 CD LYS B 606 5.891 3.292 -1.294 1.00 0.00 C ATOM 1309 CE LYS B 606 5.096 4.157 -2.260 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.329 3.336 -3.237 1.00 0.00 N ATOM 0 H LYS B 606 9.333 3.902 0.290 1.00 0.00 H new ATOM 0 HA LYS B 606 8.280 3.755 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS B 606 7.936 5.767 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.971 5.799 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.114 3.481 0.460 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.815 4.654 0.363 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.642 2.725 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.227 2.567 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.409 4.790 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.775 4.820 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 3.897 3.958 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 4.971 2.666 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.583 2.810 -2.738 1.00 0.00 H new ATOM 1324 N VAL B 607 10.097 6.469 -1.729 1.00 0.00 N ATOM 1325 CA VAL B 607 10.841 7.536 -2.388 1.00 0.00 C ATOM 1326 C VAL B 607 11.766 6.978 -3.464 1.00 0.00 C ATOM 1327 O VAL B 607 11.745 7.429 -4.609 1.00 0.00 O ATOM 1328 CB VAL B 607 11.676 8.345 -1.378 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.491 9.412 -2.091 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.776 8.968 -0.321 1.00 0.00 C ATOM 0 H VAL B 607 10.152 6.483 -0.711 1.00 0.00 H new ATOM 0 HA VAL B 607 10.106 8.195 -2.851 1.00 0.00 H new ATOM 0 HB VAL B 607 12.368 7.666 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.074 9.973 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.164 8.939 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL B 607 11.820 10.091 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.383 9.536 0.384 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.058 9.634 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.242 8.181 0.211 1.00 0.00 H new ATOM 1340 N ASP B 608 12.575 5.995 -3.088 1.00 0.00 N ATOM 1341 CA ASP B 608 13.508 5.373 -4.021 1.00 0.00 C ATOM 1342 C ASP B 608 12.776 4.850 -5.253 1.00 0.00 C ATOM 1343 O ASP B 608 13.188 5.104 -6.385 1.00 0.00 O ATOM 1344 CB ASP B 608 14.262 4.231 -3.337 1.00 0.00 C ATOM 1345 CG ASP B 608 15.140 3.458 -4.302 1.00 0.00 C ATOM 1346 OD1 ASP B 608 15.719 4.088 -5.211 1.00 0.00 O ATOM 1347 OD2 ASP B 608 15.248 2.224 -4.147 1.00 0.00 O ATOM 0 H ASP B 608 12.604 5.611 -2.144 1.00 0.00 H new ATOM 0 HA ASP B 608 14.224 6.130 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.878 4.636 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.546 3.550 -2.877 1.00 0.00 H new ATOM 1352 N GLU B 609 11.689 4.119 -5.024 1.00 0.00 N ATOM 1353 CA GLU B 609 10.902 3.560 -6.117 1.00 0.00 C ATOM 1354 C GLU B 609 10.419 4.659 -7.058 1.00 0.00 C ATOM 1355 O GLU B 609 10.634 4.594 -8.268 1.00 0.00 O ATOM 1356 CB GLU B 609 9.705 2.782 -5.566 1.00 0.00 C ATOM 1357 CG GLU B 609 8.844 2.145 -6.644 1.00 0.00 C ATOM 1358 CD GLU B 609 9.519 0.959 -7.304 1.00 0.00 C ATOM 1359 OE1 GLU B 609 9.454 -0.152 -6.737 1.00 0.00 O ATOM 1360 OE2 GLU B 609 10.112 1.141 -8.388 1.00 0.00 O ATOM 0 H GLU B 609 11.334 3.901 -4.093 1.00 0.00 H new ATOM 0 HA GLU B 609 11.541 2.880 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.067 2.003 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.088 3.455 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU B 609 7.899 1.823 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU B 609 8.606 2.891 -7.402 1.00 0.00 H new ATOM 1367 N ALA B 610 9.763 5.668 -6.492 1.00 0.00 N ATOM 1368 CA ALA B 610 9.250 6.782 -7.279 1.00 0.00 C ATOM 1369 C ALA B 610 10.338 7.372 -8.171 1.00 0.00 C ATOM 1370 O ALA B 610 10.211 7.387 -9.395 1.00 0.00 O ATOM 1371 CB ALA B 610 8.676 7.854 -6.365 1.00 0.00 C ATOM 0 H ALA B 610 9.575 5.736 -5.492 1.00 0.00 H new ATOM 0 HA ALA B 610 8.455 6.404 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.297 8.680 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.863 7.432 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.457 8.220 -5.698 1.00 0.00 H new ATOM 1377 N VAL B 611 11.408 7.857 -7.549 1.00 0.00 N ATOM 1378 CA VAL B 611 12.519 8.447 -8.286 1.00 0.00 C ATOM 1379 C VAL B 611 12.995 7.520 -9.398 1.00 0.00 C ATOM 1380 O VAL B 611 13.209 7.950 -10.531 1.00 0.00 O ATOM 1381 CB VAL B 611 13.704 8.766 -7.355 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.833 9.422 -8.135 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.253 9.654 -6.205 1.00 0.00 C ATOM 0 H VAL B 611 11.529 7.853 -6.536 1.00 0.00 H new ATOM 0 HA VAL B 611 12.151 9.375 -8.724 1.00 0.00 H new ATOM 0 HB VAL B 611 14.078 7.831 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.662 9.640 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.172 8.747 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.475 10.349 -8.582 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.103 9.870 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.853 10.587 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.480 9.142 -5.632 1.00 0.00 H new ATOM 1393 N ALA B 612 13.159 6.243 -9.066 1.00 0.00 N ATOM 1394 CA ALA B 612 13.608 5.253 -10.038 1.00 0.00 C ATOM 1395 C ALA B 612 12.689 5.222 -11.254 1.00 0.00 C ATOM 1396 O ALA B 612 13.150 5.114 -12.391 1.00 0.00 O ATOM 1397 CB ALA B 612 13.681 3.877 -9.393 1.00 0.00 C ATOM 0 H ALA B 612 12.988 5.870 -8.132 1.00 0.00 H new ATOM 0 HA ALA B 612 14.605 5.537 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA B 612 14.017 3.147 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.384 3.902 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.694 3.594 -9.027 1.00 0.00 H new ATOM 1403 N VAL B 613 11.386 5.315 -11.008 1.00 0.00 N ATOM 1404 CA VAL B 613 10.402 5.298 -12.084 1.00 0.00 C ATOM 1405 C VAL B 613 10.555 6.516 -12.988 1.00 0.00 C ATOM 1406 O VAL B 613 10.482 6.407 -14.213 1.00 0.00 O ATOM 1407 CB VAL B 613 8.965 5.260 -11.530 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.954 5.325 -12.664 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.753 4.013 -10.686 1.00 0.00 C ATOM 0 H VAL B 613 10.987 5.403 -10.073 1.00 0.00 H new ATOM 0 HA VAL B 613 10.583 4.394 -12.665 1.00 0.00 H new ATOM 0 HB VAL B 613 8.816 6.132 -10.893 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.945 5.297 -12.254 1.00 0.00 H new ATOM 0 HG12 VAL B 613 8.093 6.251 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL B 613 8.099 4.474 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.733 4.002 -10.303 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.920 3.127 -11.298 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.454 4.015 -9.851 1.00 0.00 H new ATOM 1419 N LEU B 614 10.767 7.676 -12.378 1.00 0.00 N ATOM 1420 CA LEU B 614 10.931 8.917 -13.127 1.00 0.00 C ATOM 1421 C LEU B 614 11.969 8.751 -14.233 1.00 0.00 C ATOM 1422 O LEU B 614 11.820 9.304 -15.323 1.00 0.00 O ATOM 1423 CB LEU B 614 11.345 10.052 -12.189 1.00 0.00 C ATOM 1424 CG LEU B 614 10.533 10.188 -10.901 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.835 11.512 -10.217 1.00 0.00 C ATOM 1426 CD2 LEU B 614 9.045 10.065 -11.194 1.00 0.00 C ATOM 0 H LEU B 614 10.830 7.784 -11.366 1.00 0.00 H new ATOM 0 HA LEU B 614 9.974 9.165 -13.586 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.392 9.912 -11.921 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.279 10.992 -12.737 1.00 0.00 H new ATOM 0 HG LEU B 614 10.819 9.381 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.248 11.591 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.896 11.562 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.578 12.334 -10.885 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.482 10.164 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.744 10.851 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.841 9.091 -11.640 1.00 0.00 H new ATOM 1438 N GLN B 615 13.016 7.986 -13.945 1.00 0.00 N ATOM 1439 CA GLN B 615 14.077 7.748 -14.916 1.00 0.00 C ATOM 1440 C GLN B 615 13.505 7.229 -16.231 1.00 0.00 C ATOM 1441 O GLN B 615 13.984 7.580 -17.309 1.00 0.00 O ATOM 1442 CB GLN B 615 15.092 6.748 -14.359 1.00 0.00 C ATOM 1443 CG GLN B 615 16.179 6.367 -15.351 1.00 0.00 C ATOM 1444 CD GLN B 615 17.394 5.757 -14.680 1.00 0.00 C ATOM 1445 OE1 GLN B 615 17.270 4.989 -13.725 1.00 0.00 O ATOM 1446 NE2 GLN B 615 18.578 6.095 -15.178 1.00 0.00 N ATOM 0 H GLN B 615 13.153 7.520 -13.048 1.00 0.00 H new ATOM 0 HA GLN B 615 14.579 8.696 -15.108 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.557 7.172 -13.469 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.566 5.846 -14.045 1.00 0.00 H new ATOM 0 HG2 GLN B 615 15.774 5.659 -16.074 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.483 7.253 -15.909 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.634 6.735 -15.970 1.00 0.00 H new ATOM 0 HE22 GLN B 615 19.431 5.715 -14.768 1.00 0.00 H new