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= -2.6 K(o=-2.6,f=-6.5!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= -0.391 (180deg=-2.16!) 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= -2.19 X(o=-2.2,f=-2) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -2.69 K(o=-2.7,f=-2.2) USER MOD Single : B 561 MET CE :methyl 135:sc= -3.93! (180deg=-7.47!) USER MOD Single : B 571 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.9) USER MOD Single : B 573 MET CE :methyl -150:sc= -6.27! (180deg=-9.76!) USER MOD Single : B 574 HIS : no HD1:sc= -4.28! C(o=-4.3!,f=-3!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -1.24 USER MOD Single : B 580 LYS NZ :NH3+ -163:sc= -0.159 (180deg=-0.541) USER MOD Single : B 582 THR OG1 : rot 180:sc= -0.877 USER MOD Single : B 584 MET CE :methyl 156:sc= -6.57! (180deg=-7.67!) USER MOD Single : B 590 ASN : amide:sc= -4.58! C(o=-4.6!,f=-9.9!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 596 MET CE :methyl -170:sc= -2.13 (180deg=-2.59) USER MOD Single : B 599 SER OG : rot 54:sc= 0.0368 USER MOD Single : B 602 SER OG : rot 170:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ 178:sc= -0.647 (180deg=-0.655) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 7.048 -1.831 -9.116 1.00 0.00 N ATOM 67 CA GLN A 68 7.147 -0.601 -9.893 1.00 0.00 C ATOM 68 C GLN A 68 5.793 0.094 -9.987 1.00 0.00 C ATOM 69 O GLN A 68 4.747 -0.541 -9.853 1.00 0.00 O ATOM 70 CB GLN A 68 7.678 -0.902 -11.296 1.00 0.00 C ATOM 71 CG GLN A 68 8.174 0.330 -12.036 1.00 0.00 C ATOM 72 CD GLN A 68 9.063 -0.015 -13.214 1.00 0.00 C ATOM 73 OE1 GLN A 68 10.263 0.259 -13.203 1.00 0.00 O ATOM 74 NE2 GLN A 68 8.476 -0.620 -14.240 1.00 0.00 N ATOM 0 HA GLN A 68 7.842 0.066 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.492 -1.623 -11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.888 -1.374 -11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.319 0.907 -12.388 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.725 0.967 -11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.478 -0.828 -14.206 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.023 -0.877 -15.062 1.00 0.00 H new ATOM 83 N LEU A 69 5.821 1.403 -10.217 1.00 0.00 N ATOM 84 CA LEU A 69 4.595 2.185 -10.329 1.00 0.00 C ATOM 85 C LEU A 69 4.560 2.959 -11.643 1.00 0.00 C ATOM 86 O LEU A 69 5.458 2.830 -12.474 1.00 0.00 O ATOM 87 CB LEU A 69 4.476 3.154 -9.151 1.00 0.00 C ATOM 88 CG LEU A 69 5.723 3.980 -8.832 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.850 5.148 -9.797 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.680 4.476 -7.394 1.00 0.00 C ATOM 0 H LEU A 69 6.678 1.944 -10.329 1.00 0.00 H new ATOM 0 HA LEU A 69 3.751 1.495 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.653 3.839 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.206 2.583 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 69 6.599 3.342 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.743 5.725 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.927 4.771 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.971 5.787 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.575 5.062 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.797 5.098 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.637 3.623 -6.716 1.00 0.00 H new ATOM 102 N ASN A 70 3.519 3.765 -11.822 1.00 0.00 N ATOM 103 CA ASN A 70 3.369 4.561 -13.035 1.00 0.00 C ATOM 104 C ASN A 70 3.780 6.010 -12.789 1.00 0.00 C ATOM 105 O ASN A 70 3.432 6.601 -11.767 1.00 0.00 O ATOM 106 CB ASN A 70 1.922 4.508 -13.529 1.00 0.00 C ATOM 107 CG ASN A 70 0.984 5.327 -12.663 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.030 5.251 -11.435 1.00 0.00 O ATOM 109 ND2 ASN A 70 0.127 6.115 -13.300 1.00 0.00 N ATOM 0 H ASN A 70 2.767 3.884 -11.143 1.00 0.00 H new ATOM 0 HA ASN A 70 4.023 4.140 -13.799 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.878 4.874 -14.555 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.585 3.472 -13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.529 6.689 -12.770 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.124 6.146 -14.320 1.00 0.00 H new ATOM 116 N VAL A 71 4.524 6.576 -13.734 1.00 0.00 N ATOM 117 CA VAL A 71 4.982 7.956 -13.622 1.00 0.00 C ATOM 118 C VAL A 71 3.944 8.926 -14.172 1.00 0.00 C ATOM 119 O VAL A 71 3.967 10.117 -13.863 1.00 0.00 O ATOM 120 CB VAL A 71 6.313 8.168 -14.368 1.00 0.00 C ATOM 121 CG1 VAL A 71 6.162 7.814 -15.840 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.794 9.601 -14.202 1.00 0.00 C ATOM 0 H VAL A 71 4.822 6.100 -14.586 1.00 0.00 H new ATOM 0 HA VAL A 71 5.133 8.154 -12.561 1.00 0.00 H new ATOM 0 HB VAL A 71 7.062 7.505 -13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.112 7.970 -16.351 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.866 6.769 -15.934 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.399 8.449 -16.291 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.735 9.733 -14.735 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.048 10.284 -14.608 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.944 9.814 -13.144 1.00 0.00 H new ATOM 132 N ASN A 72 3.032 8.409 -14.989 1.00 0.00 N ATOM 133 CA ASN A 72 1.984 9.230 -15.583 1.00 0.00 C ATOM 134 C ASN A 72 0.975 9.672 -14.527 1.00 0.00 C ATOM 135 O ASN A 72 0.214 10.615 -14.738 1.00 0.00 O ATOM 136 CB ASN A 72 1.270 8.457 -16.695 1.00 0.00 C ATOM 137 CG ASN A 72 1.949 8.621 -18.041 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.637 9.540 -18.798 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.883 7.728 -18.344 1.00 0.00 N ATOM 0 H ASN A 72 2.998 7.425 -15.255 1.00 0.00 H new ATOM 0 HA ASN A 72 2.450 10.118 -16.009 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.236 7.399 -16.435 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.238 8.800 -16.767 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.375 7.787 -19.236 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.109 6.983 -17.685 1.00 0.00 H new ATOM 146 N ALA A 73 0.976 8.983 -13.391 1.00 0.00 N ATOM 147 CA ALA A 73 0.064 9.306 -12.301 1.00 0.00 C ATOM 148 C ALA A 73 0.132 10.788 -11.949 1.00 0.00 C ATOM 149 O ALA A 73 1.200 11.314 -11.633 1.00 0.00 O ATOM 150 CB ALA A 73 0.379 8.456 -11.079 1.00 0.00 C ATOM 0 H ALA A 73 1.598 8.197 -13.202 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.951 9.084 -12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.310 8.708 -10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.271 7.401 -11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.402 8.649 -10.756 1.00 0.00 H new ATOM 156 N LYS A 74 -1.014 11.458 -12.005 1.00 0.00 N ATOM 157 CA LYS A 74 -1.086 12.880 -11.691 1.00 0.00 C ATOM 158 C LYS A 74 -0.451 13.171 -10.335 1.00 0.00 C ATOM 159 O LYS A 74 -0.286 12.284 -9.497 1.00 0.00 O ATOM 160 CB LYS A 74 -2.541 13.352 -11.697 1.00 0.00 C ATOM 161 CG LYS A 74 -3.016 13.843 -13.054 1.00 0.00 C ATOM 162 CD LYS A 74 -4.463 14.304 -13.006 1.00 0.00 C ATOM 163 CE LYS A 74 -5.425 13.129 -13.100 1.00 0.00 C ATOM 164 NZ LYS A 74 -5.664 12.500 -11.772 1.00 0.00 N ATOM 0 H LYS A 74 -1.907 11.038 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.531 13.424 -12.456 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.181 12.532 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.657 14.155 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.382 14.665 -13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.912 13.044 -13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.642 14.849 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.653 14.997 -13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.373 13.469 -13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.023 12.385 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.276 11.535 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.197 13.063 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.686 12.462 -11.585 1.00 0.00 H new ATOM 178 N PRO A 75 -0.089 14.443 -10.110 1.00 0.00 N ATOM 179 CA PRO A 75 0.530 14.879 -8.855 1.00 0.00 C ATOM 180 C PRO A 75 -0.447 14.848 -7.685 1.00 0.00 C ATOM 181 O PRO A 75 -0.554 13.845 -6.980 1.00 0.00 O ATOM 182 CB PRO A 75 0.961 16.318 -9.154 1.00 0.00 C ATOM 183 CG PRO A 75 0.042 16.771 -10.235 1.00 0.00 C ATOM 184 CD PRO A 75 -0.257 15.552 -11.064 1.00 0.00 C ATOM 0 HA PRO A 75 1.351 14.226 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.874 16.949 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.002 16.361 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.872 17.193 -9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.506 17.550 -10.840 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.267 15.581 -11.473 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.426 15.463 -11.909 1.00 0.00 H new ATOM 192 N PHE A 76 -1.157 15.953 -7.484 1.00 0.00 N ATOM 193 CA PHE A 76 -2.125 16.052 -6.398 1.00 0.00 C ATOM 194 C PHE A 76 -2.940 17.337 -6.511 1.00 0.00 C ATOM 195 O PHE A 76 -2.888 18.032 -7.526 1.00 0.00 O ATOM 196 CB PHE A 76 -1.413 16.003 -5.045 1.00 0.00 C ATOM 197 CG PHE A 76 -0.536 17.195 -4.786 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.624 17.390 -5.519 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.871 18.120 -3.810 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.433 18.486 -5.283 1.00 0.00 C ATOM 201 CE2 PHE A 76 -0.066 19.217 -3.570 1.00 0.00 C ATOM 202 CZ PHE A 76 1.087 19.401 -4.308 1.00 0.00 C ATOM 0 H PHE A 76 -1.080 16.792 -8.059 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.805 15.204 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.159 15.932 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.807 15.098 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.899 16.678 -6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.772 17.982 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.335 18.627 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.338 19.930 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.717 20.259 -4.123 1.00 0.00 H new ATOM 212 N VAL A 77 -3.693 17.648 -5.460 1.00 0.00 N ATOM 213 CA VAL A 77 -4.518 18.850 -5.440 1.00 0.00 C ATOM 214 C VAL A 77 -3.966 19.880 -4.461 1.00 0.00 C ATOM 215 O VAL A 77 -4.412 19.990 -3.319 1.00 0.00 O ATOM 216 CB VAL A 77 -5.974 18.524 -5.057 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.811 19.793 -5.010 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.569 17.520 -6.033 1.00 0.00 C ATOM 0 H VAL A 77 -3.748 17.084 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.498 19.264 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.978 18.077 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.836 19.543 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.395 20.476 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.802 20.271 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.598 17.301 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.553 17.938 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.983 16.601 -6.012 1.00 0.00 H new ATOM 228 N PRO A 78 -2.970 20.654 -4.917 1.00 0.00 N ATOM 229 CA PRO A 78 -2.335 21.690 -4.098 1.00 0.00 C ATOM 230 C PRO A 78 -3.263 22.871 -3.834 1.00 0.00 C ATOM 231 O PRO A 78 -4.393 22.904 -4.320 1.00 0.00 O ATOM 232 CB PRO A 78 -1.139 22.130 -4.947 1.00 0.00 C ATOM 233 CG PRO A 78 -1.531 21.811 -6.348 1.00 0.00 C ATOM 234 CD PRO A 78 -2.388 20.578 -6.268 1.00 0.00 C ATOM 0 HA PRO A 78 -2.061 21.318 -3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.937 23.194 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.232 21.598 -4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.079 22.639 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.652 21.636 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.159 20.574 -7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.800 19.670 -6.402 1.00 0.00 H new ATOM 424 N LEU B 550 -6.340 14.086 8.910 1.00 0.00 N ATOM 425 CA LEU B 550 -7.318 13.782 7.871 1.00 0.00 C ATOM 426 C LEU B 550 -8.498 13.004 8.445 1.00 0.00 C ATOM 427 O LEU B 550 -9.088 12.162 7.768 1.00 0.00 O ATOM 428 CB LEU B 550 -6.663 12.979 6.746 1.00 0.00 C ATOM 429 CG LEU B 550 -5.211 13.335 6.426 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.735 12.580 5.194 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.061 14.836 6.224 1.00 0.00 C ATOM 0 HA LEU B 550 -7.689 14.725 7.469 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -6.708 11.922 7.007 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.256 13.109 5.841 1.00 0.00 H new ATOM 0 HG LEU B 550 -4.590 13.039 7.272 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.700 12.846 4.982 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.804 11.507 5.375 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -5.360 12.845 4.341 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.021 15.070 5.997 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -5.694 15.157 5.397 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.360 15.357 7.133 1.00 0.00 H new ATOM 443 N ALA B 551 -8.839 13.293 9.697 1.00 0.00 N ATOM 444 CA ALA B 551 -9.951 12.624 10.360 1.00 0.00 C ATOM 445 C ALA B 551 -11.233 13.442 10.242 1.00 0.00 C ATOM 446 O ALA B 551 -12.235 12.970 9.705 1.00 0.00 O ATOM 447 CB ALA B 551 -9.618 12.370 11.822 1.00 0.00 C ATOM 0 H ALA B 551 -8.361 13.986 10.272 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.115 11.667 9.864 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.458 11.870 12.305 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.732 11.739 11.889 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.425 13.319 12.322 1.00 0.00 H new ATOM 453 N SER B 552 -11.194 14.671 10.748 1.00 0.00 N ATOM 454 CA SER B 552 -12.354 15.553 10.703 1.00 0.00 C ATOM 455 C SER B 552 -12.269 16.502 9.511 1.00 0.00 C ATOM 456 O SER B 552 -12.877 17.572 9.511 1.00 0.00 O ATOM 457 CB SER B 552 -12.462 16.355 12.001 1.00 0.00 C ATOM 458 OG SER B 552 -11.972 15.610 13.103 1.00 0.00 O ATOM 0 H SER B 552 -10.372 15.078 11.194 1.00 0.00 H new ATOM 0 HA SER B 552 -13.245 14.935 10.591 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.899 17.283 11.906 1.00 0.00 H new ATOM 0 HB3 SER B 552 -13.502 16.630 12.177 1.00 0.00 H new ATOM 0 HG SER B 552 -12.050 16.145 13.920 1.00 0.00 H new ATOM 464 N ALA B 553 -11.511 16.101 8.496 1.00 0.00 N ATOM 465 CA ALA B 553 -11.348 16.913 7.297 1.00 0.00 C ATOM 466 C ALA B 553 -12.000 16.247 6.090 1.00 0.00 C ATOM 467 O ALA B 553 -12.246 15.041 6.074 1.00 0.00 O ATOM 468 CB ALA B 553 -9.872 17.167 7.029 1.00 0.00 C ATOM 0 H ALA B 553 -11.000 15.218 8.480 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.846 17.868 7.464 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.765 17.775 6.131 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.433 17.693 7.877 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.359 16.216 6.887 1.00 0.00 H new ATOM 474 N PRO B 554 -12.288 17.050 5.054 1.00 0.00 N ATOM 475 CA PRO B 554 -12.916 16.559 3.824 1.00 0.00 C ATOM 476 C PRO B 554 -11.978 15.677 3.006 1.00 0.00 C ATOM 477 O PRO B 554 -10.773 15.617 3.251 1.00 0.00 O ATOM 478 CB PRO B 554 -13.245 17.843 3.058 1.00 0.00 C ATOM 479 CG PRO B 554 -12.268 18.847 3.563 1.00 0.00 C ATOM 480 CD PRO B 554 -12.022 18.497 5.005 1.00 0.00 C ATOM 0 HA PRO B 554 -13.785 15.934 4.031 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.144 17.699 1.982 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.271 18.162 3.242 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.342 18.813 2.990 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.664 19.858 3.469 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.000 18.728 5.306 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.684 19.050 5.671 1.00 0.00 H new ATOM 488 N PRO B 555 -12.541 14.977 2.011 1.00 0.00 N ATOM 489 CA PRO B 555 -11.773 14.086 1.136 1.00 0.00 C ATOM 490 C PRO B 555 -10.842 14.852 0.202 1.00 0.00 C ATOM 491 O PRO B 555 -10.007 14.259 -0.480 1.00 0.00 O ATOM 492 CB PRO B 555 -12.854 13.357 0.334 1.00 0.00 C ATOM 493 CG PRO B 555 -14.020 14.284 0.341 1.00 0.00 C ATOM 494 CD PRO B 555 -13.972 15.001 1.662 1.00 0.00 C ATOM 0 HA PRO B 555 -11.122 13.420 1.703 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.520 13.149 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -13.107 12.399 0.789 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.963 14.989 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.955 13.735 0.229 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.349 16.021 1.580 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.578 14.497 2.415 1.00 0.00 H new ATOM 502 N GLN B 556 -10.992 16.173 0.177 1.00 0.00 N ATOM 503 CA GLN B 556 -10.164 17.019 -0.674 1.00 0.00 C ATOM 504 C GLN B 556 -8.980 17.581 0.104 1.00 0.00 C ATOM 505 O GLN B 556 -7.846 17.563 -0.374 1.00 0.00 O ATOM 506 CB GLN B 556 -10.997 18.163 -1.256 1.00 0.00 C ATOM 507 CG GLN B 556 -12.211 17.693 -2.041 1.00 0.00 C ATOM 508 CD GLN B 556 -12.714 18.738 -3.018 1.00 0.00 C ATOM 509 OE1 GLN B 556 -12.288 18.780 -4.173 1.00 0.00 O ATOM 510 NE2 GLN B 556 -13.625 19.588 -2.560 1.00 0.00 N ATOM 0 H GLN B 556 -11.679 16.680 0.736 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.781 16.406 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.328 18.810 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.365 18.767 -1.907 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.957 16.784 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -13.011 17.435 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -13.950 19.517 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -14.000 20.312 -3.172 1.00 0.00 H new ATOM 519 N GLU B 557 -9.251 18.080 1.306 1.00 0.00 N ATOM 520 CA GLU B 557 -8.207 18.649 2.150 1.00 0.00 C ATOM 521 C GLU B 557 -7.135 17.609 2.464 1.00 0.00 C ATOM 522 O GLU B 557 -5.980 17.952 2.716 1.00 0.00 O ATOM 523 CB GLU B 557 -8.807 19.187 3.450 1.00 0.00 C ATOM 524 CG GLU B 557 -9.470 20.546 3.299 1.00 0.00 C ATOM 525 CD GLU B 557 -8.476 21.690 3.365 1.00 0.00 C ATOM 526 OE1 GLU B 557 -7.257 21.421 3.327 1.00 0.00 O ATOM 527 OE2 GLU B 557 -8.918 22.854 3.454 1.00 0.00 O ATOM 0 H GLU B 557 -10.184 18.102 1.717 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.743 19.471 1.605 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.541 18.474 3.824 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.020 19.258 4.201 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -10.000 20.584 2.347 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.216 20.672 4.084 1.00 0.00 H new ATOM 534 N GLN B 558 -7.527 16.340 2.447 1.00 0.00 N ATOM 535 CA GLN B 558 -6.600 15.250 2.731 1.00 0.00 C ATOM 536 C GLN B 558 -5.350 15.359 1.864 1.00 0.00 C ATOM 537 O GLN B 558 -4.258 15.635 2.361 1.00 0.00 O ATOM 538 CB GLN B 558 -7.280 13.900 2.498 1.00 0.00 C ATOM 539 CG GLN B 558 -8.547 13.709 3.316 1.00 0.00 C ATOM 540 CD GLN B 558 -8.654 12.318 3.911 1.00 0.00 C ATOM 541 OE1 GLN B 558 -8.112 11.355 3.368 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.355 12.206 5.033 1.00 0.00 N ATOM 0 H GLN B 558 -8.480 16.040 2.240 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.302 15.323 3.777 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.522 13.802 1.440 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.578 13.102 2.739 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.571 14.446 4.119 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.415 13.897 2.684 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.787 13.031 5.449 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.461 11.295 5.479 1.00 0.00 H new ATOM 551 N LYS B 559 -5.517 15.141 0.564 1.00 0.00 N ATOM 552 CA LYS B 559 -4.403 15.215 -0.374 1.00 0.00 C ATOM 553 C LYS B 559 -3.718 16.576 -0.299 1.00 0.00 C ATOM 554 O LYS B 559 -2.509 16.683 -0.499 1.00 0.00 O ATOM 555 CB LYS B 559 -4.893 14.957 -1.801 1.00 0.00 C ATOM 556 CG LYS B 559 -6.054 15.844 -2.215 1.00 0.00 C ATOM 557 CD LYS B 559 -6.589 15.459 -3.584 1.00 0.00 C ATOM 558 CE LYS B 559 -7.196 14.065 -3.573 1.00 0.00 C ATOM 559 NZ LYS B 559 -7.875 13.745 -4.860 1.00 0.00 N ATOM 0 H LYS B 559 -6.414 14.911 0.136 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.679 14.448 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -4.065 15.110 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.195 13.913 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.852 15.768 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.731 16.885 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -7.342 16.182 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -5.782 15.500 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -6.414 13.330 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -7.913 13.987 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -8.276 12.786 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -8.638 14.431 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -7.186 13.794 -5.638 1.00 0.00 H new ATOM 573 N GLN B 560 -4.499 17.611 -0.008 1.00 0.00 N ATOM 574 CA GLN B 560 -3.966 18.964 0.095 1.00 0.00 C ATOM 575 C GLN B 560 -2.945 19.063 1.224 1.00 0.00 C ATOM 576 O GLN B 560 -1.759 19.285 0.983 1.00 0.00 O ATOM 577 CB GLN B 560 -5.099 19.965 0.326 1.00 0.00 C ATOM 578 CG GLN B 560 -5.973 20.188 -0.897 1.00 0.00 C ATOM 579 CD GLN B 560 -7.365 20.671 -0.540 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.539 21.480 0.372 1.00 0.00 O ATOM 581 NE2 GLN B 560 -8.366 20.176 -1.258 1.00 0.00 N ATOM 0 H GLN B 560 -5.502 17.539 0.161 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.466 19.203 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.722 19.612 1.148 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.672 20.919 0.636 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.496 20.918 -1.551 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -6.049 19.257 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -8.176 19.508 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -9.325 20.464 -1.063 1.00 0.00 H new ATOM 590 N MET B 561 -3.415 18.898 2.456 1.00 0.00 N ATOM 591 CA MET B 561 -2.543 18.968 3.622 1.00 0.00 C ATOM 592 C MET B 561 -1.477 17.879 3.570 1.00 0.00 C ATOM 593 O MET B 561 -0.279 18.166 3.585 1.00 0.00 O ATOM 594 CB MET B 561 -3.362 18.835 4.907 1.00 0.00 C ATOM 595 CG MET B 561 -4.528 19.807 4.988 1.00 0.00 C ATOM 596 SD MET B 561 -5.663 19.420 6.335 1.00 0.00 S ATOM 597 CE MET B 561 -6.297 17.834 5.799 1.00 0.00 C ATOM 0 H MET B 561 -4.395 18.715 2.672 1.00 0.00 H new ATOM 0 HA MET B 561 -2.046 19.938 3.615 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.743 17.816 4.982 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.707 18.994 5.764 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.144 20.818 5.121 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.073 19.794 4.044 1.00 0.00 H new ATOM 0 HE1 MET B 561 -6.305 17.142 6.641 1.00 0.00 H new ATOM 0 HE2 MET B 561 -7.312 17.957 5.421 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.661 17.436 5.008 1.00 0.00 H new ATOM 607 N LEU B 562 -1.919 16.627 3.509 1.00 0.00 N ATOM 608 CA LEU B 562 -1.002 15.494 3.455 1.00 0.00 C ATOM 609 C LEU B 562 0.040 15.688 2.358 1.00 0.00 C ATOM 610 O LEU B 562 1.242 15.640 2.613 1.00 0.00 O ATOM 611 CB LEU B 562 -1.777 14.197 3.214 1.00 0.00 C ATOM 612 CG LEU B 562 -0.936 12.926 3.093 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.712 11.722 3.604 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.502 12.709 1.650 1.00 0.00 C ATOM 0 H LEU B 562 -2.906 16.371 3.496 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.486 15.430 4.413 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.486 14.063 4.031 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.361 14.311 2.301 1.00 0.00 H new ATOM 0 HG LEU B 562 -0.043 13.044 3.707 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -1.098 10.827 3.510 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.973 11.875 4.651 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.623 11.600 3.017 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.096 11.800 1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -1.383 12.612 1.016 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.093 13.560 1.317 1.00 0.00 H new ATOM 626 N GLY B 563 -0.431 15.910 1.134 1.00 0.00 N ATOM 627 CA GLY B 563 0.473 16.111 0.017 1.00 0.00 C ATOM 628 C GLY B 563 1.401 17.290 0.226 1.00 0.00 C ATOM 629 O GLY B 563 2.621 17.150 0.143 1.00 0.00 O ATOM 0 H GLY B 563 -1.422 15.954 0.897 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.066 15.209 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY B 563 -0.107 16.266 -0.892 1.00 0.00 H new ATOM 633 N GLU B 564 0.823 18.456 0.498 1.00 0.00 N ATOM 634 CA GLU B 564 1.608 19.665 0.717 1.00 0.00 C ATOM 635 C GLU B 564 2.687 19.430 1.771 1.00 0.00 C ATOM 636 O GLU B 564 3.825 19.872 1.618 1.00 0.00 O ATOM 637 CB GLU B 564 0.700 20.818 1.150 1.00 0.00 C ATOM 638 CG GLU B 564 -0.084 21.438 0.006 1.00 0.00 C ATOM 639 CD GLU B 564 0.684 22.541 -0.697 1.00 0.00 C ATOM 640 OE1 GLU B 564 1.203 23.440 -0.002 1.00 0.00 O ATOM 641 OE2 GLU B 564 0.767 22.504 -1.943 1.00 0.00 O ATOM 0 H GLU B 564 -0.186 18.589 0.572 1.00 0.00 H new ATOM 0 HA GLU B 564 2.093 19.927 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.001 20.455 1.904 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.307 21.590 1.623 1.00 0.00 H new ATOM 0 HG2 GLU B 564 -0.341 20.663 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -1.022 21.841 0.389 1.00 0.00 H new ATOM 648 N ARG B 565 2.319 18.730 2.839 1.00 0.00 N ATOM 649 CA ARG B 565 3.254 18.437 3.919 1.00 0.00 C ATOM 650 C ARG B 565 4.256 17.367 3.495 1.00 0.00 C ATOM 651 O ARG B 565 5.383 17.326 3.990 1.00 0.00 O ATOM 652 CB ARG B 565 2.497 17.976 5.166 1.00 0.00 C ATOM 653 CG ARG B 565 2.268 19.083 6.183 1.00 0.00 C ATOM 654 CD ARG B 565 0.838 19.597 6.133 1.00 0.00 C ATOM 655 NE ARG B 565 0.712 20.786 5.294 1.00 0.00 N ATOM 656 CZ ARG B 565 -0.357 21.575 5.292 1.00 0.00 C ATOM 657 NH1 ARG B 565 -1.387 21.302 6.080 1.00 0.00 N ATOM 658 NH2 ARG B 565 -0.396 22.639 4.500 1.00 0.00 N ATOM 0 H ARG B 565 1.381 18.355 2.980 1.00 0.00 H new ATOM 0 HA ARG B 565 3.801 19.351 4.151 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.533 17.566 4.865 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.053 17.168 5.640 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.487 18.711 7.184 1.00 0.00 H new ATOM 0 HG3 ARG B 565 2.958 19.904 5.990 1.00 0.00 H new ATOM 0 HD2 ARG B 565 0.184 18.813 5.751 1.00 0.00 H new ATOM 0 HD3 ARG B 565 0.501 19.829 7.143 1.00 0.00 H new ATOM 0 HE ARG B 565 1.487 21.024 4.676 1.00 0.00 H new ATOM 0 HH11 ARG B 565 -1.360 20.485 6.690 1.00 0.00 H new ATOM 0 HH12 ARG B 565 -2.207 21.909 6.077 1.00 0.00 H new ATOM 0 HH21 ARG B 565 0.395 22.852 3.892 1.00 0.00 H new ATOM 0 HH22 ARG B 565 -1.217 23.244 4.499 1.00 0.00 H new ATOM 672 N LEU B 566 3.838 16.503 2.577 1.00 0.00 N ATOM 673 CA LEU B 566 4.698 15.432 2.086 1.00 0.00 C ATOM 674 C LEU B 566 5.744 15.974 1.117 1.00 0.00 C ATOM 675 O LEU B 566 6.819 15.395 0.959 1.00 0.00 O ATOM 676 CB LEU B 566 3.861 14.352 1.399 1.00 0.00 C ATOM 677 CG LEU B 566 3.727 13.027 2.149 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.812 13.185 3.354 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.206 11.939 1.222 1.00 0.00 C ATOM 0 H LEU B 566 2.909 16.523 2.157 1.00 0.00 H new ATOM 0 HA LEU B 566 5.214 14.994 2.941 1.00 0.00 H new ATOM 0 HB2 LEU B 566 2.861 14.751 1.226 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.297 14.150 0.421 1.00 0.00 H new ATOM 0 HG LEU B 566 4.714 12.732 2.504 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.729 12.231 3.875 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.226 13.933 4.030 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.824 13.504 3.021 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.117 11.003 1.773 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.228 12.227 0.836 1.00 0.00 H new ATOM 0 HD23 LEU B 566 3.899 11.806 0.391 1.00 0.00 H new ATOM 691 N PHE B 567 5.423 17.091 0.472 1.00 0.00 N ATOM 692 CA PHE B 567 6.335 17.713 -0.481 1.00 0.00 C ATOM 693 C PHE B 567 7.728 17.866 0.121 1.00 0.00 C ATOM 694 O PHE B 567 8.719 17.357 -0.406 1.00 0.00 O ATOM 695 CB PHE B 567 5.800 19.080 -0.912 1.00 0.00 C ATOM 696 CG PHE B 567 5.734 19.254 -2.403 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.866 19.087 -3.184 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.540 19.586 -3.022 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.809 19.247 -4.556 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.476 19.747 -4.394 1.00 0.00 C ATOM 701 CZ PHE B 567 5.612 19.578 -5.161 1.00 0.00 C ATOM 0 H PHE B 567 4.538 17.584 0.592 1.00 0.00 H new ATOM 0 HA PHE B 567 6.405 17.066 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.803 19.220 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.435 19.859 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.804 18.829 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE B 567 3.649 19.721 -2.426 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.699 19.113 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.539 20.005 -4.865 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.565 19.704 -6.233 1.00 0.00 H new ATOM 711 N PRO B 568 7.809 18.584 1.251 1.00 0.00 N ATOM 712 CA PRO B 568 9.076 18.821 1.949 1.00 0.00 C ATOM 713 C PRO B 568 9.626 17.556 2.598 1.00 0.00 C ATOM 714 O PRO B 568 10.829 17.296 2.555 1.00 0.00 O ATOM 715 CB PRO B 568 8.704 19.852 3.018 1.00 0.00 C ATOM 716 CG PRO B 568 7.248 19.643 3.256 1.00 0.00 C ATOM 717 CD PRO B 568 6.670 19.219 1.934 1.00 0.00 C ATOM 0 HA PRO B 568 9.860 19.155 1.269 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.280 19.701 3.931 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.908 20.867 2.677 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.082 18.881 4.017 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.775 20.558 3.613 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.840 18.524 2.063 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.288 20.071 1.371 1.00 0.00 H new ATOM 725 N LEU B 569 8.738 16.771 3.199 1.00 0.00 N ATOM 726 CA LEU B 569 9.135 15.531 3.857 1.00 0.00 C ATOM 727 C LEU B 569 9.968 14.660 2.922 1.00 0.00 C ATOM 728 O LEU B 569 10.930 14.019 3.347 1.00 0.00 O ATOM 729 CB LEU B 569 7.899 14.760 4.324 1.00 0.00 C ATOM 730 CG LEU B 569 8.166 13.495 5.141 1.00 0.00 C ATOM 731 CD1 LEU B 569 8.526 12.335 4.227 1.00 0.00 C ATOM 732 CD2 LEU B 569 9.273 13.740 6.157 1.00 0.00 C ATOM 0 H LEU B 569 7.739 16.971 3.244 1.00 0.00 H new ATOM 0 HA LEU B 569 9.745 15.788 4.723 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.281 15.431 4.921 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.314 14.485 3.446 1.00 0.00 H new ATOM 0 HG LEU B 569 7.255 13.236 5.681 1.00 0.00 H new ATOM 0 HD11 LEU B 569 8.712 11.444 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 569 7.702 12.144 3.540 1.00 0.00 H new ATOM 0 HD13 LEU B 569 9.422 12.584 3.659 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.450 12.829 6.729 1.00 0.00 H new ATOM 0 HD22 LEU B 569 10.188 14.025 5.637 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.975 14.542 6.833 1.00 0.00 H new ATOM 744 N ILE B 570 9.594 14.644 1.647 1.00 0.00 N ATOM 745 CA ILE B 570 10.309 13.855 0.651 1.00 0.00 C ATOM 746 C ILE B 570 11.634 14.510 0.279 1.00 0.00 C ATOM 747 O ILE B 570 12.626 13.827 0.028 1.00 0.00 O ATOM 748 CB ILE B 570 9.467 13.663 -0.625 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.244 12.793 -0.329 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.312 13.041 -1.727 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.164 12.890 -1.384 1.00 0.00 C ATOM 0 H ILE B 570 8.800 15.168 1.279 1.00 0.00 H new ATOM 0 HA ILE B 570 10.502 12.880 1.099 1.00 0.00 H new ATOM 0 HB ILE B 570 9.121 14.639 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.561 11.754 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE B 570 7.826 13.083 0.635 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.704 12.911 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.155 13.695 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.683 12.071 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.328 12.247 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.820 13.922 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.565 12.571 -2.346 1.00 0.00 H new ATOM 763 N GLN B 571 11.643 15.839 0.246 1.00 0.00 N ATOM 764 CA GLN B 571 12.847 16.587 -0.094 1.00 0.00 C ATOM 765 C GLN B 571 13.978 16.270 0.879 1.00 0.00 C ATOM 766 O GLN B 571 15.149 16.504 0.582 1.00 0.00 O ATOM 767 CB GLN B 571 12.559 18.089 -0.089 1.00 0.00 C ATOM 768 CG GLN B 571 11.555 18.520 -1.146 1.00 0.00 C ATOM 769 CD GLN B 571 10.931 19.868 -0.842 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.363 20.574 0.069 1.00 0.00 O ATOM 771 NE2 GLN B 571 9.909 20.233 -1.608 1.00 0.00 N ATOM 0 H GLN B 571 10.830 16.420 0.451 1.00 0.00 H new ATOM 0 HA GLN B 571 13.159 16.288 -1.095 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.185 18.375 0.894 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.492 18.630 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.050 18.563 -2.116 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.769 17.769 -1.223 1.00 0.00 H new ATOM 0 HE21 GLN B 571 9.584 19.616 -2.352 1.00 0.00 H new ATOM 0 HE22 GLN B 571 9.450 21.130 -1.452 1.00 0.00 H new ATOM 780 N ALA B 572 13.619 15.737 2.042 1.00 0.00 N ATOM 781 CA ALA B 572 14.604 15.387 3.058 1.00 0.00 C ATOM 782 C ALA B 572 15.689 14.483 2.483 1.00 0.00 C ATOM 783 O ALA B 572 16.817 14.464 2.973 1.00 0.00 O ATOM 784 CB ALA B 572 13.924 14.712 4.241 1.00 0.00 C ATOM 0 H ALA B 572 12.654 15.538 2.304 1.00 0.00 H new ATOM 0 HA ALA B 572 15.078 16.306 3.401 1.00 0.00 H new ATOM 0 HB1 ALA B 572 14.671 14.456 4.992 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.191 15.391 4.675 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.423 13.805 3.904 1.00 0.00 H new ATOM 790 N MET B 573 15.339 13.736 1.441 1.00 0.00 N ATOM 791 CA MET B 573 16.284 12.830 0.799 1.00 0.00 C ATOM 792 C MET B 573 16.355 13.092 -0.702 1.00 0.00 C ATOM 793 O MET B 573 17.426 13.022 -1.305 1.00 0.00 O ATOM 794 CB MET B 573 15.885 11.376 1.056 1.00 0.00 C ATOM 795 CG MET B 573 14.421 11.088 0.769 1.00 0.00 C ATOM 796 SD MET B 573 13.560 10.382 2.188 1.00 0.00 S ATOM 797 CE MET B 573 12.308 11.629 2.478 1.00 0.00 C ATOM 0 H MET B 573 14.408 13.740 1.023 1.00 0.00 H new ATOM 0 HA MET B 573 17.270 13.010 1.228 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.503 10.724 0.439 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.099 11.127 2.096 1.00 0.00 H new ATOM 0 HG2 MET B 573 13.925 12.012 0.471 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.348 10.401 -0.074 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.060 11.656 3.539 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.686 12.603 2.169 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.414 11.388 1.903 1.00 0.00 H new ATOM 807 N HIS B 574 15.207 13.394 -1.300 1.00 0.00 N ATOM 808 CA HIS B 574 15.139 13.668 -2.731 1.00 0.00 C ATOM 809 C HIS B 574 14.475 15.015 -2.996 1.00 0.00 C ATOM 810 O HIS B 574 13.338 15.094 -3.461 1.00 0.00 O ATOM 811 CB HIS B 574 14.370 12.557 -3.448 1.00 0.00 C ATOM 812 CG HIS B 574 15.234 11.412 -3.879 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.792 11.322 -5.136 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.636 10.306 -3.210 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.498 10.209 -5.223 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.421 9.575 -4.067 1.00 0.00 N ATOM 0 H HIS B 574 14.311 13.455 -0.816 1.00 0.00 H new ATOM 0 HA HIS B 574 16.157 13.703 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.588 12.183 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.874 12.976 -4.323 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.386 10.047 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS B 574 17.045 9.874 -6.092 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.871 8.687 -3.847 1.00 0.00 H new ATOM 824 N PRO B 575 15.201 16.103 -2.694 1.00 0.00 N ATOM 825 CA PRO B 575 14.702 17.467 -2.892 1.00 0.00 C ATOM 826 C PRO B 575 14.585 17.834 -4.367 1.00 0.00 C ATOM 827 O PRO B 575 14.056 18.890 -4.716 1.00 0.00 O ATOM 828 CB PRO B 575 15.761 18.334 -2.207 1.00 0.00 C ATOM 829 CG PRO B 575 17.005 17.517 -2.250 1.00 0.00 C ATOM 830 CD PRO B 575 16.564 16.084 -2.138 1.00 0.00 C ATOM 0 HA PRO B 575 13.698 17.597 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.892 19.283 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.477 18.569 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.551 17.686 -3.178 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.675 17.784 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.218 15.417 -2.700 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.571 15.741 -1.103 1.00 0.00 H new ATOM 838 N THR B 576 15.083 16.955 -5.232 1.00 0.00 N ATOM 839 CA THR B 576 15.036 17.187 -6.670 1.00 0.00 C ATOM 840 C THR B 576 13.752 16.630 -7.275 1.00 0.00 C ATOM 841 O THR B 576 12.942 17.372 -7.830 1.00 0.00 O ATOM 842 CB THR B 576 16.244 16.551 -7.382 1.00 0.00 C ATOM 843 OG1 THR B 576 16.478 15.235 -6.868 1.00 0.00 O ATOM 844 CG2 THR B 576 17.491 17.402 -7.197 1.00 0.00 C ATOM 0 H THR B 576 15.524 16.076 -4.961 1.00 0.00 H new ATOM 0 HA THR B 576 15.065 18.267 -6.817 1.00 0.00 H new ATOM 0 HB THR B 576 16.020 16.490 -8.447 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.247 14.836 -7.327 1.00 0.00 H new ATOM 0 HG21 THR B 576 18.331 16.932 -7.709 1.00 0.00 H new ATOM 0 HG22 THR B 576 17.320 18.394 -7.615 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.717 17.490 -6.134 1.00 0.00 H new ATOM 852 N LEU B 577 13.572 15.318 -7.163 1.00 0.00 N ATOM 853 CA LEU B 577 12.386 14.660 -7.699 1.00 0.00 C ATOM 854 C LEU B 577 11.266 14.629 -6.663 1.00 0.00 C ATOM 855 O LEU B 577 10.261 13.941 -6.841 1.00 0.00 O ATOM 856 CB LEU B 577 12.725 13.236 -8.143 1.00 0.00 C ATOM 857 CG LEU B 577 13.719 13.113 -9.298 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.361 14.078 -10.417 1.00 0.00 C ATOM 859 CD2 LEU B 577 15.138 13.364 -8.809 1.00 0.00 C ATOM 0 H LEU B 577 14.232 14.689 -6.706 1.00 0.00 H new ATOM 0 HA LEU B 577 12.043 15.231 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.126 12.695 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.800 12.737 -8.431 1.00 0.00 H new ATOM 0 HG LEU B 577 13.665 12.098 -9.691 1.00 0.00 H new ATOM 0 HD11 LEU B 577 14.080 13.975 -11.230 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.361 13.852 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU B 577 13.385 15.100 -10.038 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.832 13.272 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU B 577 15.206 14.368 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.394 12.632 -8.043 1.00 0.00 H new ATOM 871 N ALA B 578 11.447 15.380 -5.581 1.00 0.00 N ATOM 872 CA ALA B 578 10.450 15.441 -4.519 1.00 0.00 C ATOM 873 C ALA B 578 9.055 15.677 -5.088 1.00 0.00 C ATOM 874 O ALA B 578 8.061 15.211 -4.533 1.00 0.00 O ATOM 875 CB ALA B 578 10.808 16.535 -3.523 1.00 0.00 C ATOM 0 H ALA B 578 12.274 15.954 -5.417 1.00 0.00 H new ATOM 0 HA ALA B 578 10.445 14.481 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA B 578 10.056 16.570 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.783 16.323 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.842 17.497 -4.035 1.00 0.00 H new ATOM 881 N GLY B 579 8.989 16.404 -6.199 1.00 0.00 N ATOM 882 CA GLY B 579 7.711 16.689 -6.824 1.00 0.00 C ATOM 883 C GLY B 579 7.006 15.435 -7.301 1.00 0.00 C ATOM 884 O GLY B 579 6.057 14.968 -6.670 1.00 0.00 O ATOM 0 H GLY B 579 9.798 16.801 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY B 579 7.072 17.214 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.865 17.359 -7.670 1.00 0.00 H new ATOM 888 N LYS B 580 7.469 14.887 -8.419 1.00 0.00 N ATOM 889 CA LYS B 580 6.877 13.679 -8.982 1.00 0.00 C ATOM 890 C LYS B 580 6.702 12.608 -7.909 1.00 0.00 C ATOM 891 O LYS B 580 5.704 11.887 -7.897 1.00 0.00 O ATOM 892 CB LYS B 580 7.750 13.140 -10.118 1.00 0.00 C ATOM 893 CG LYS B 580 7.474 13.795 -11.460 1.00 0.00 C ATOM 894 CD LYS B 580 8.038 12.975 -12.608 1.00 0.00 C ATOM 895 CE LYS B 580 7.713 13.602 -13.954 1.00 0.00 C ATOM 896 NZ LYS B 580 6.263 13.918 -14.083 1.00 0.00 N ATOM 0 H LYS B 580 8.253 15.260 -8.954 1.00 0.00 H new ATOM 0 HA LYS B 580 5.894 13.936 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS B 580 8.799 13.287 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.592 12.065 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS B 580 6.399 13.916 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS B 580 7.912 14.793 -11.475 1.00 0.00 H new ATOM 0 HD2 LYS B 580 9.119 12.888 -12.498 1.00 0.00 H new ATOM 0 HD3 LYS B 580 7.631 11.964 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS B 580 8.296 14.514 -14.080 1.00 0.00 H new ATOM 0 HE3 LYS B 580 8.009 12.922 -14.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 6.028 14.068 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 5.701 13.126 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 6.046 14.781 -13.544 1.00 0.00 H new ATOM 910 N ILE B 581 7.677 12.512 -7.011 1.00 0.00 N ATOM 911 CA ILE B 581 7.628 11.531 -5.934 1.00 0.00 C ATOM 912 C ILE B 581 6.355 11.685 -5.108 1.00 0.00 C ATOM 913 O ILE B 581 5.548 10.760 -5.012 1.00 0.00 O ATOM 914 CB ILE B 581 8.849 11.657 -5.003 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.129 11.285 -5.753 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.672 10.774 -3.776 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.384 11.842 -5.118 1.00 0.00 C ATOM 0 H ILE B 581 8.510 13.101 -7.008 1.00 0.00 H new ATOM 0 HA ILE B 581 7.638 10.547 -6.402 1.00 0.00 H new ATOM 0 HB ILE B 581 8.931 12.693 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.208 10.199 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.058 11.648 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.542 10.873 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.778 11.081 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.569 9.735 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.253 11.539 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.326 12.930 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.479 11.459 -4.102 1.00 0.00 H new ATOM 929 N THR B 582 6.180 12.861 -4.513 1.00 0.00 N ATOM 930 CA THR B 582 5.005 13.137 -3.696 1.00 0.00 C ATOM 931 C THR B 582 3.723 12.967 -4.502 1.00 0.00 C ATOM 932 O THR B 582 2.683 12.591 -3.961 1.00 0.00 O ATOM 933 CB THR B 582 5.048 14.562 -3.114 1.00 0.00 C ATOM 934 OG1 THR B 582 4.484 14.571 -1.798 1.00 0.00 O ATOM 935 CG2 THR B 582 4.286 15.533 -4.004 1.00 0.00 C ATOM 0 H THR B 582 6.838 13.638 -4.582 1.00 0.00 H new ATOM 0 HA THR B 582 5.013 12.418 -2.877 1.00 0.00 H new ATOM 0 HB THR B 582 6.090 14.879 -3.065 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.517 15.480 -1.434 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.330 16.533 -3.573 1.00 0.00 H new ATOM 0 HG22 THR B 582 4.735 15.546 -4.997 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.246 15.217 -4.081 1.00 0.00 H new ATOM 943 N GLY B 583 3.803 13.246 -5.800 1.00 0.00 N ATOM 944 CA GLY B 583 2.641 13.117 -6.659 1.00 0.00 C ATOM 945 C GLY B 583 2.132 11.692 -6.737 1.00 0.00 C ATOM 946 O GLY B 583 0.988 11.414 -6.381 1.00 0.00 O ATOM 0 H GLY B 583 4.652 13.559 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.846 13.764 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.893 13.465 -7.661 1.00 0.00 H new ATOM 950 N MET B 584 2.984 10.786 -7.207 1.00 0.00 N ATOM 951 CA MET B 584 2.614 9.381 -7.331 1.00 0.00 C ATOM 952 C MET B 584 2.303 8.778 -5.964 1.00 0.00 C ATOM 953 O MET B 584 1.332 8.037 -5.808 1.00 0.00 O ATOM 954 CB MET B 584 3.738 8.592 -8.005 1.00 0.00 C ATOM 955 CG MET B 584 4.198 9.196 -9.322 1.00 0.00 C ATOM 956 SD MET B 584 5.772 8.520 -9.884 1.00 0.00 S ATOM 957 CE MET B 584 6.895 9.233 -8.684 1.00 0.00 C ATOM 0 H MET B 584 3.935 11.000 -7.508 1.00 0.00 H new ATOM 0 HA MET B 584 1.718 9.321 -7.948 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.588 8.533 -7.325 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.399 7.571 -8.181 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.438 9.019 -10.083 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.290 10.276 -9.209 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.790 8.615 -8.612 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.173 10.239 -8.998 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.406 9.279 -7.711 1.00 0.00 H new ATOM 967 N LEU B 585 3.133 9.099 -4.978 1.00 0.00 N ATOM 968 CA LEU B 585 2.947 8.589 -3.624 1.00 0.00 C ATOM 969 C LEU B 585 1.613 9.050 -3.047 1.00 0.00 C ATOM 970 O LEU B 585 1.004 8.356 -2.232 1.00 0.00 O ATOM 971 CB LEU B 585 4.094 9.050 -2.722 1.00 0.00 C ATOM 972 CG LEU B 585 5.305 8.120 -2.647 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.755 7.716 -4.042 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.443 8.787 -1.889 1.00 0.00 C ATOM 0 H LEU B 585 3.942 9.710 -5.091 1.00 0.00 H new ATOM 0 HA LEU B 585 2.945 7.500 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.432 10.027 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.704 9.187 -1.714 1.00 0.00 H new ATOM 0 HG LEU B 585 5.014 7.219 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.618 7.054 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU B 585 4.942 7.197 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.028 8.606 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.297 8.111 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.733 9.705 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.116 9.024 -0.877 1.00 0.00 H new ATOM 986 N LEU B 586 1.163 10.224 -3.476 1.00 0.00 N ATOM 987 CA LEU B 586 -0.101 10.778 -3.004 1.00 0.00 C ATOM 988 C LEU B 586 -1.278 10.168 -3.757 1.00 0.00 C ATOM 989 O LEU B 586 -2.415 10.209 -3.288 1.00 0.00 O ATOM 990 CB LEU B 586 -0.107 12.299 -3.169 1.00 0.00 C ATOM 991 CG LEU B 586 -1.429 13.002 -2.859 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.175 14.391 -2.295 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.297 13.081 -4.106 1.00 0.00 C ATOM 0 H LEU B 586 1.655 10.811 -4.150 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.205 10.533 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.664 12.718 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.175 12.534 -4.195 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.961 12.419 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.127 14.876 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.594 14.310 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.622 14.984 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.234 13.584 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.772 13.641 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.508 12.074 -4.467 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.996 9.601 -4.926 1.00 0.00 N ATOM 1006 CA GLU B 587 -2.033 8.981 -5.743 1.00 0.00 C ATOM 1007 C GLU B 587 -2.412 7.609 -5.193 1.00 0.00 C ATOM 1008 O GLU B 587 -3.574 7.355 -4.877 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.560 8.848 -7.192 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.675 8.513 -8.168 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.469 9.148 -9.530 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -1.952 10.284 -9.584 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -2.824 8.508 -10.542 1.00 0.00 O ATOM 0 H GLU B 587 -0.060 9.558 -5.328 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.914 9.622 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -1.089 9.782 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.796 8.072 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -2.740 7.431 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -3.627 8.848 -7.755 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.422 6.729 -5.082 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.651 5.384 -4.569 1.00 0.00 C ATOM 1022 C ILE B 588 -2.742 5.380 -3.503 1.00 0.00 C ATOM 1023 O ILE B 588 -3.791 4.759 -3.676 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.365 4.782 -3.974 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.591 5.894 -3.538 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.307 3.864 -4.984 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.581 5.461 -2.480 1.00 0.00 C ATOM 0 H ILE B 588 -0.455 6.923 -5.340 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.970 4.774 -5.414 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.630 4.192 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.138 6.254 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.009 6.733 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.215 3.446 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.374 3.055 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.562 4.432 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.226 6.300 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.043 5.128 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.189 4.642 -2.864 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.488 6.078 -2.402 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.449 6.157 -1.309 1.00 0.00 C ATOM 1041 C ASP B 589 -2.862 6.918 -0.123 1.00 0.00 C ATOM 1042 O ASP B 589 -1.915 6.458 0.514 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.873 4.755 -0.871 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.365 4.528 -1.020 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.133 5.073 -0.199 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.764 3.807 -1.957 1.00 0.00 O ATOM 0 H ASP B 589 -1.625 6.597 -2.243 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.325 6.697 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.335 4.014 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.587 4.601 0.169 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.430 8.084 0.165 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.962 8.909 1.273 1.00 0.00 C ATOM 1053 C ASN B 590 -2.914 8.105 2.568 1.00 0.00 C ATOM 1054 O ASN B 590 -1.952 8.194 3.331 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.872 10.127 1.449 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.593 11.210 0.425 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.465 11.361 -0.044 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.623 11.971 0.074 1.00 0.00 N ATOM 0 H ASN B 590 -4.215 8.479 -0.353 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.953 9.248 1.040 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.913 9.814 1.368 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.739 10.535 2.451 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.496 12.717 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.541 11.810 0.489 1.00 0.00 H new ATOM 1065 N SER B 591 -3.958 7.319 2.809 1.00 0.00 N ATOM 1066 CA SER B 591 -4.037 6.500 4.014 1.00 0.00 C ATOM 1067 C SER B 591 -2.768 5.673 4.192 1.00 0.00 C ATOM 1068 O SER B 591 -2.209 5.603 5.286 1.00 0.00 O ATOM 1069 CB SER B 591 -5.256 5.578 3.950 1.00 0.00 C ATOM 1070 OG SER B 591 -5.676 5.198 5.249 1.00 0.00 O ATOM 0 H SER B 591 -4.761 7.232 2.186 1.00 0.00 H new ATOM 0 HA SER B 591 -4.139 7.166 4.871 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.072 6.084 3.434 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.013 4.689 3.368 1.00 0.00 H new ATOM 0 HG SER B 591 -6.457 4.610 5.181 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.320 5.047 3.108 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.117 4.224 3.145 1.00 0.00 C ATOM 1078 C GLU B 592 0.099 5.053 3.549 1.00 0.00 C ATOM 1079 O GLU B 592 0.961 4.589 4.296 1.00 0.00 O ATOM 1080 CB GLU B 592 -0.875 3.574 1.780 1.00 0.00 C ATOM 1081 CG GLU B 592 0.288 2.597 1.770 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.134 1.183 2.122 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.315 0.988 2.477 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.717 0.273 2.042 1.00 0.00 O ATOM 0 H GLU B 592 -2.772 5.094 2.195 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.265 3.443 3.891 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.780 3.052 1.470 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.689 4.355 1.043 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.751 2.599 0.783 1.00 0.00 H new ATOM 0 HG3 GLU B 592 1.046 2.933 2.478 1.00 0.00 H new ATOM 1091 N LEU B 593 0.161 6.282 3.049 1.00 0.00 N ATOM 1092 CA LEU B 593 1.271 7.178 3.356 1.00 0.00 C ATOM 1093 C LEU B 593 1.291 7.530 4.840 1.00 0.00 C ATOM 1094 O LEU B 593 2.357 7.638 5.449 1.00 0.00 O ATOM 1095 CB LEU B 593 1.169 8.454 2.519 1.00 0.00 C ATOM 1096 CG LEU B 593 0.590 8.290 1.113 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.654 9.605 0.353 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.331 7.197 0.355 1.00 0.00 C ATOM 0 H LEU B 593 -0.544 6.681 2.429 1.00 0.00 H new ATOM 0 HA LEU B 593 2.200 6.663 3.110 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.555 9.172 3.062 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.165 8.888 2.432 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.456 7.997 1.203 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.238 9.469 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.079 10.362 0.886 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.692 9.928 0.272 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.906 7.094 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.386 7.461 0.275 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.233 6.253 0.890 1.00 0.00 H new ATOM 1110 N LEU B 594 0.108 7.706 5.417 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.011 8.043 6.832 1.00 0.00 C ATOM 1112 C LEU B 594 0.526 6.916 7.708 1.00 0.00 C ATOM 1113 O LEU B 594 0.797 7.112 8.893 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.471 8.330 7.187 1.00 0.00 C ATOM 1115 CG LEU B 594 -1.958 9.756 6.926 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.460 9.854 7.141 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.223 10.742 7.822 1.00 0.00 C ATOM 0 H LEU B 594 -0.783 7.621 4.927 1.00 0.00 H new ATOM 0 HA LEU B 594 0.584 8.937 7.018 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.103 7.643 6.624 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.618 8.105 8.243 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.743 10.009 5.888 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.789 10.876 6.951 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -3.970 9.175 6.458 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.699 9.581 8.169 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.582 11.752 7.623 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.406 10.491 8.867 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.153 10.691 7.619 1.00 0.00 H new ATOM 1129 N HIS B 595 0.679 5.736 7.116 1.00 0.00 N ATOM 1130 CA HIS B 595 1.187 4.577 7.842 1.00 0.00 C ATOM 1131 C HIS B 595 2.598 4.224 7.383 1.00 0.00 C ATOM 1132 O HIS B 595 3.320 3.498 8.066 1.00 0.00 O ATOM 1133 CB HIS B 595 0.258 3.378 7.644 1.00 0.00 C ATOM 1134 CG HIS B 595 0.235 2.439 8.811 1.00 0.00 C ATOM 1135 ND1 HIS B 595 -0.547 2.646 9.927 1.00 0.00 N ATOM 1136 CD2 HIS B 595 0.903 1.283 9.030 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -0.359 1.658 10.784 1.00 0.00 C ATOM 1138 NE2 HIS B 595 0.516 0.817 10.263 1.00 0.00 N ATOM 0 H HIS B 595 0.459 5.557 6.136 1.00 0.00 H new ATOM 0 HA HIS B 595 1.222 4.829 8.902 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -0.754 3.739 7.459 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.569 2.831 6.754 1.00 0.00 H new ATOM 0 HD2 HIS B 595 1.609 0.814 8.360 1.00 0.00 H new ATOM 0 HE1 HIS B 595 -0.839 1.556 11.746 1.00 0.00 H new ATOM 0 HE2 HIS B 595 0.850 -0.040 10.705 1.00 0.00 H new ATOM 1146 N MET B 596 2.984 4.741 6.222 1.00 0.00 N ATOM 1147 CA MET B 596 4.310 4.480 5.672 1.00 0.00 C ATOM 1148 C MET B 596 5.306 5.542 6.128 1.00 0.00 C ATOM 1149 O MET B 596 6.477 5.246 6.370 1.00 0.00 O ATOM 1150 CB MET B 596 4.253 4.440 4.144 1.00 0.00 C ATOM 1151 CG MET B 596 3.775 3.108 3.588 1.00 0.00 C ATOM 1152 SD MET B 596 3.974 2.990 1.800 1.00 0.00 S ATOM 1153 CE MET B 596 3.370 4.596 1.286 1.00 0.00 C ATOM 0 H MET B 596 2.398 5.343 5.643 1.00 0.00 H new ATOM 0 HA MET B 596 4.645 3.511 6.041 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.589 5.230 3.793 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.244 4.656 3.746 1.00 0.00 H new ATOM 0 HG2 MET B 596 4.329 2.300 4.065 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.724 2.968 3.843 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.262 4.614 0.202 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.403 4.787 1.751 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.078 5.366 1.593 1.00 0.00 H new ATOM 1163 N LEU B 597 4.834 6.779 6.241 1.00 0.00 N ATOM 1164 CA LEU B 597 5.684 7.886 6.668 1.00 0.00 C ATOM 1165 C LEU B 597 6.159 7.685 8.103 1.00 0.00 C ATOM 1166 O LEU B 597 7.063 8.378 8.569 1.00 0.00 O ATOM 1167 CB LEU B 597 4.928 9.210 6.549 1.00 0.00 C ATOM 1168 CG LEU B 597 4.123 9.636 7.777 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.282 8.478 8.292 1.00 0.00 C ATOM 1170 CD2 LEU B 597 5.049 10.152 8.869 1.00 0.00 C ATOM 0 H LEU B 597 3.868 7.041 6.043 1.00 0.00 H new ATOM 0 HA LEU B 597 6.557 7.914 6.017 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.647 9.997 6.320 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.248 9.142 5.700 1.00 0.00 H new ATOM 0 HG LEU B 597 3.452 10.444 7.485 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.716 8.800 9.166 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.593 8.154 7.512 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.934 7.649 8.567 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.459 10.451 9.735 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.745 9.364 9.158 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.607 11.011 8.497 1.00 0.00 H new ATOM 1182 N GLU B 598 5.545 6.732 8.797 1.00 0.00 N ATOM 1183 CA GLU B 598 5.908 6.440 10.179 1.00 0.00 C ATOM 1184 C GLU B 598 6.924 5.304 10.247 1.00 0.00 C ATOM 1185 O GLU B 598 6.945 4.532 11.205 1.00 0.00 O ATOM 1186 CB GLU B 598 4.662 6.074 10.990 1.00 0.00 C ATOM 1187 CG GLU B 598 3.995 4.788 10.532 1.00 0.00 C ATOM 1188 CD GLU B 598 3.309 4.052 11.666 1.00 0.00 C ATOM 1189 OE1 GLU B 598 4.021 3.521 12.544 1.00 0.00 O ATOM 1190 OE2 GLU B 598 2.061 4.006 11.676 1.00 0.00 O ATOM 0 H GLU B 598 4.795 6.149 8.425 1.00 0.00 H new ATOM 0 HA GLU B 598 6.361 7.335 10.605 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.938 5.977 12.040 1.00 0.00 H new ATOM 0 HB3 GLU B 598 3.943 6.890 10.924 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.263 5.018 9.758 1.00 0.00 H new ATOM 0 HG3 GLU B 598 4.743 4.136 10.080 1.00 0.00 H new ATOM 1197 N SER B 599 7.765 5.209 9.222 1.00 0.00 N ATOM 1198 CA SER B 599 8.782 4.165 9.162 1.00 0.00 C ATOM 1199 C SER B 599 9.790 4.452 8.053 1.00 0.00 C ATOM 1200 O SER B 599 9.446 4.945 6.979 1.00 0.00 O ATOM 1201 CB SER B 599 8.129 2.801 8.934 1.00 0.00 C ATOM 1202 OG SER B 599 8.241 1.983 10.086 1.00 0.00 O ATOM 0 H SER B 599 7.762 5.842 8.422 1.00 0.00 H new ATOM 0 HA SER B 599 9.311 4.151 10.115 1.00 0.00 H new ATOM 0 HB2 SER B 599 7.077 2.936 8.681 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.601 2.306 8.085 1.00 0.00 H new ATOM 0 HG SER B 599 7.885 2.462 10.863 1.00 0.00 H new ATOM 1208 N PRO B 600 11.066 4.136 8.319 1.00 0.00 N ATOM 1209 CA PRO B 600 12.151 4.350 7.357 1.00 0.00 C ATOM 1210 C PRO B 600 12.063 3.404 6.164 1.00 0.00 C ATOM 1211 O PRO B 600 12.151 3.832 5.014 1.00 0.00 O ATOM 1212 CB PRO B 600 13.413 4.062 8.175 1.00 0.00 C ATOM 1213 CG PRO B 600 12.961 3.143 9.257 1.00 0.00 C ATOM 1214 CD PRO B 600 11.548 3.545 9.579 1.00 0.00 C ATOM 0 HA PRO B 600 12.123 5.352 6.928 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.186 3.600 7.561 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.837 4.979 8.585 1.00 0.00 H new ATOM 0 HG2 PRO B 600 13.006 2.104 8.931 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.601 3.230 10.135 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.944 2.688 9.878 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.511 4.262 10.399 1.00 0.00 H new ATOM 1222 N GLU B 601 11.888 2.117 6.447 1.00 0.00 N ATOM 1223 CA GLU B 601 11.788 1.111 5.395 1.00 0.00 C ATOM 1224 C GLU B 601 10.617 1.412 4.464 1.00 0.00 C ATOM 1225 O GLU B 601 10.573 0.935 3.330 1.00 0.00 O ATOM 1226 CB GLU B 601 11.623 -0.282 6.006 1.00 0.00 C ATOM 1227 CG GLU B 601 12.941 -0.972 6.313 1.00 0.00 C ATOM 1228 CD GLU B 601 12.775 -2.161 7.240 1.00 0.00 C ATOM 1229 OE1 GLU B 601 12.014 -2.043 8.224 1.00 0.00 O ATOM 1230 OE2 GLU B 601 13.405 -3.207 6.983 1.00 0.00 O ATOM 0 H GLU B 601 11.813 1.746 7.394 1.00 0.00 H new ATOM 0 HA GLU B 601 12.709 1.138 4.812 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.043 -0.200 6.925 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.048 -0.904 5.320 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.399 -1.304 5.381 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.625 -0.255 6.767 1.00 0.00 H new ATOM 1237 N SER B 602 9.671 2.208 4.951 1.00 0.00 N ATOM 1238 CA SER B 602 8.497 2.570 4.165 1.00 0.00 C ATOM 1239 C SER B 602 8.761 3.827 3.342 1.00 0.00 C ATOM 1240 O SER B 602 8.607 3.828 2.120 1.00 0.00 O ATOM 1241 CB SER B 602 7.292 2.790 5.080 1.00 0.00 C ATOM 1242 OG SER B 602 6.564 1.588 5.263 1.00 0.00 O ATOM 0 H SER B 602 9.694 2.615 5.886 1.00 0.00 H new ATOM 0 HA SER B 602 8.280 1.748 3.482 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.629 3.165 6.046 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.641 3.552 4.652 1.00 0.00 H new ATOM 0 HG SER B 602 5.899 1.713 5.972 1.00 0.00 H new ATOM 1248 N LEU B 603 9.160 4.898 4.020 1.00 0.00 N ATOM 1249 CA LEU B 603 9.447 6.163 3.354 1.00 0.00 C ATOM 1250 C LEU B 603 10.541 5.991 2.305 1.00 0.00 C ATOM 1251 O LEU B 603 10.343 6.302 1.130 1.00 0.00 O ATOM 1252 CB LEU B 603 9.868 7.218 4.378 1.00 0.00 C ATOM 1253 CG LEU B 603 10.590 8.445 3.820 1.00 0.00 C ATOM 1254 CD1 LEU B 603 9.690 9.203 2.858 1.00 0.00 C ATOM 1255 CD2 LEU B 603 11.050 9.353 4.951 1.00 0.00 C ATOM 0 H LEU B 603 9.292 4.915 5.031 1.00 0.00 H new ATOM 0 HA LEU B 603 8.538 6.495 2.853 1.00 0.00 H new ATOM 0 HB2 LEU B 603 8.978 7.555 4.909 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.517 6.743 5.114 1.00 0.00 H new ATOM 0 HG LEU B 603 11.469 8.107 3.272 1.00 0.00 H new ATOM 0 HD11 LEU B 603 10.221 10.073 2.471 1.00 0.00 H new ATOM 0 HD12 LEU B 603 9.411 8.551 2.030 1.00 0.00 H new ATOM 0 HD13 LEU B 603 8.791 9.530 3.381 1.00 0.00 H new ATOM 0 HD21 LEU B 603 11.562 10.221 4.535 1.00 0.00 H new ATOM 0 HD22 LEU B 603 10.186 9.683 5.527 1.00 0.00 H new ATOM 0 HD23 LEU B 603 11.733 8.806 5.602 1.00 0.00 H new ATOM 1267 N ARG B 604 11.694 5.492 2.737 1.00 0.00 N ATOM 1268 CA ARG B 604 12.819 5.277 1.835 1.00 0.00 C ATOM 1269 C ARG B 604 12.414 4.389 0.662 1.00 0.00 C ATOM 1270 O ARG B 604 12.893 4.566 -0.458 1.00 0.00 O ATOM 1271 CB ARG B 604 13.990 4.642 2.588 1.00 0.00 C ATOM 1272 CG ARG B 604 15.292 4.648 1.805 1.00 0.00 C ATOM 1273 CD ARG B 604 16.461 4.193 2.665 1.00 0.00 C ATOM 1274 NE ARG B 604 17.715 4.171 1.917 1.00 0.00 N ATOM 1275 CZ ARG B 604 18.825 3.590 2.359 1.00 0.00 C ATOM 1276 NH1 ARG B 604 18.835 2.985 3.539 1.00 0.00 N ATOM 1277 NH2 ARG B 604 19.927 3.612 1.620 1.00 0.00 N ATOM 0 H ARG B 604 11.874 5.229 3.706 1.00 0.00 H new ATOM 0 HA ARG B 604 13.129 6.246 1.445 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.138 5.174 3.527 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.733 3.614 2.842 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.200 3.993 0.938 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.486 5.652 1.427 1.00 0.00 H new ATOM 0 HD2 ARG B 604 16.562 4.859 3.522 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.256 3.197 3.058 1.00 0.00 H new ATOM 0 HE ARG B 604 17.740 4.627 1.005 1.00 0.00 H new ATOM 0 HH11 ARG B 604 17.989 2.965 4.109 1.00 0.00 H new ATOM 0 HH12 ARG B 604 19.688 2.540 3.876 1.00 0.00 H new ATOM 0 HH21 ARG B 604 19.923 4.075 0.711 1.00 0.00 H new ATOM 0 HH22 ARG B 604 20.778 3.166 1.961 1.00 0.00 H new ATOM 1291 N SER B 605 11.529 3.434 0.928 1.00 0.00 N ATOM 1292 CA SER B 605 11.062 2.516 -0.105 1.00 0.00 C ATOM 1293 C SER B 605 10.284 3.262 -1.184 1.00 0.00 C ATOM 1294 O SER B 605 10.565 3.125 -2.375 1.00 0.00 O ATOM 1295 CB SER B 605 10.183 1.426 0.512 1.00 0.00 C ATOM 1296 OG SER B 605 9.392 0.789 -0.476 1.00 0.00 O ATOM 0 H SER B 605 11.121 3.275 1.849 1.00 0.00 H new ATOM 0 HA SER B 605 11.934 2.053 -0.566 1.00 0.00 H new ATOM 0 HB2 SER B 605 10.810 0.688 1.012 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.537 1.863 1.273 1.00 0.00 H new ATOM 0 HG SER B 605 8.841 0.096 -0.057 1.00 0.00 H new ATOM 1302 N LYS B 606 9.305 4.053 -0.759 1.00 0.00 N ATOM 1303 CA LYS B 606 8.486 4.824 -1.687 1.00 0.00 C ATOM 1304 C LYS B 606 9.342 5.801 -2.487 1.00 0.00 C ATOM 1305 O LYS B 606 9.355 5.768 -3.717 1.00 0.00 O ATOM 1306 CB LYS B 606 7.398 5.586 -0.928 1.00 0.00 C ATOM 1307 CG LYS B 606 6.362 4.683 -0.281 1.00 0.00 C ATOM 1308 CD LYS B 606 5.698 3.775 -1.302 1.00 0.00 C ATOM 1309 CE LYS B 606 5.039 4.575 -2.415 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.383 3.693 -3.419 1.00 0.00 N ATOM 0 H LYS B 606 9.059 4.177 0.223 1.00 0.00 H new ATOM 0 HA LYS B 606 8.016 4.128 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS B 606 7.866 6.199 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.896 6.267 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS B 606 6.837 4.078 0.491 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.605 5.292 0.213 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.441 3.101 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS B 606 4.951 3.155 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.299 5.251 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.788 5.194 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 3.917 4.277 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.099 3.089 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.674 3.096 -2.946 1.00 0.00 H new ATOM 1324 N VAL B 607 10.058 6.669 -1.779 1.00 0.00 N ATOM 1325 CA VAL B 607 10.919 7.654 -2.423 1.00 0.00 C ATOM 1326 C VAL B 607 11.841 6.995 -3.443 1.00 0.00 C ATOM 1327 O VAL B 607 11.927 7.432 -4.591 1.00 0.00 O ATOM 1328 CB VAL B 607 11.774 8.413 -1.390 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.721 9.378 -2.087 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.883 9.148 -0.400 1.00 0.00 C ATOM 0 H VAL B 607 10.059 6.710 -0.760 1.00 0.00 H new ATOM 0 HA VAL B 607 10.265 8.361 -2.932 1.00 0.00 H new ATOM 0 HB VAL B 607 12.373 7.690 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.317 9.905 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.381 8.822 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.144 10.099 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.503 9.679 0.323 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.257 9.862 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.250 8.430 0.122 1.00 0.00 H new ATOM 1340 N ASP B 608 12.527 5.940 -3.017 1.00 0.00 N ATOM 1341 CA ASP B 608 13.442 5.219 -3.894 1.00 0.00 C ATOM 1342 C ASP B 608 12.711 4.688 -5.124 1.00 0.00 C ATOM 1343 O ASP B 608 13.119 4.941 -6.257 1.00 0.00 O ATOM 1344 CB ASP B 608 14.101 4.063 -3.139 1.00 0.00 C ATOM 1345 CG ASP B 608 14.944 3.186 -4.044 1.00 0.00 C ATOM 1346 OD1 ASP B 608 15.840 3.726 -4.726 1.00 0.00 O ATOM 1347 OD2 ASP B 608 14.708 1.960 -4.069 1.00 0.00 O ATOM 0 H ASP B 608 12.467 5.565 -2.070 1.00 0.00 H new ATOM 0 HA ASP B 608 14.214 5.915 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.726 4.464 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.330 3.456 -2.665 1.00 0.00 H new ATOM 1352 N GLU B 609 11.630 3.951 -4.891 1.00 0.00 N ATOM 1353 CA GLU B 609 10.844 3.383 -5.980 1.00 0.00 C ATOM 1354 C GLU B 609 10.409 4.469 -6.961 1.00 0.00 C ATOM 1355 O GLU B 609 10.658 4.371 -8.162 1.00 0.00 O ATOM 1356 CB GLU B 609 9.615 2.657 -5.428 1.00 0.00 C ATOM 1357 CG GLU B 609 8.856 1.862 -6.477 1.00 0.00 C ATOM 1358 CD GLU B 609 7.434 1.548 -6.054 1.00 0.00 C ATOM 1359 OE1 GLU B 609 7.240 1.118 -4.898 1.00 0.00 O ATOM 1360 OE2 GLU B 609 6.515 1.732 -6.880 1.00 0.00 O ATOM 0 H GLU B 609 11.279 3.733 -3.959 1.00 0.00 H new ATOM 0 HA GLU B 609 11.471 2.667 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.929 1.983 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU B 609 8.942 3.388 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.838 2.424 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.386 0.931 -6.676 1.00 0.00 H new ATOM 1367 N ALA B 610 9.758 5.503 -6.439 1.00 0.00 N ATOM 1368 CA ALA B 610 9.290 6.607 -7.266 1.00 0.00 C ATOM 1369 C ALA B 610 10.407 7.136 -8.160 1.00 0.00 C ATOM 1370 O ALA B 610 10.296 7.118 -9.385 1.00 0.00 O ATOM 1371 CB ALA B 610 8.737 7.724 -6.393 1.00 0.00 C ATOM 0 H ALA B 610 9.543 5.599 -5.447 1.00 0.00 H new ATOM 0 HA ALA B 610 8.492 6.234 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.391 8.542 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.904 7.345 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.520 8.086 -5.726 1.00 0.00 H new ATOM 1377 N VAL B 611 11.483 7.607 -7.537 1.00 0.00 N ATOM 1378 CA VAL B 611 12.621 8.141 -8.276 1.00 0.00 C ATOM 1379 C VAL B 611 13.066 7.178 -9.371 1.00 0.00 C ATOM 1380 O VAL B 611 13.361 7.591 -10.492 1.00 0.00 O ATOM 1381 CB VAL B 611 13.813 8.426 -7.343 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.981 9.000 -8.129 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.399 9.368 -6.223 1.00 0.00 C ATOM 0 H VAL B 611 11.590 7.630 -6.523 1.00 0.00 H new ATOM 0 HA VAL B 611 12.293 9.076 -8.730 1.00 0.00 H new ATOM 0 HB VAL B 611 14.135 7.486 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.814 9.195 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.292 8.286 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.676 9.931 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.253 9.559 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL B 611 13.050 10.309 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.596 8.913 -5.643 1.00 0.00 H new ATOM 1393 N ALA B 612 13.110 5.892 -9.038 1.00 0.00 N ATOM 1394 CA ALA B 612 13.516 4.869 -9.994 1.00 0.00 C ATOM 1395 C ALA B 612 12.604 4.867 -11.216 1.00 0.00 C ATOM 1396 O ALA B 612 13.067 4.735 -12.349 1.00 0.00 O ATOM 1397 CB ALA B 612 13.519 3.500 -9.332 1.00 0.00 C ATOM 0 H ALA B 612 12.870 5.534 -8.114 1.00 0.00 H new ATOM 0 HA ALA B 612 14.527 5.100 -10.329 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.824 2.746 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.217 3.502 -8.495 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.518 3.270 -8.968 1.00 0.00 H new ATOM 1403 N VAL B 613 11.304 5.013 -10.979 1.00 0.00 N ATOM 1404 CA VAL B 613 10.327 5.028 -12.061 1.00 0.00 C ATOM 1405 C VAL B 613 10.536 6.230 -12.974 1.00 0.00 C ATOM 1406 O VAL B 613 10.462 6.115 -14.198 1.00 0.00 O ATOM 1407 CB VAL B 613 8.887 5.055 -11.515 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.885 5.156 -12.656 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.616 3.823 -10.664 1.00 0.00 C ATOM 0 H VAL B 613 10.903 5.123 -10.047 1.00 0.00 H new ATOM 0 HA VAL B 613 10.474 4.112 -12.633 1.00 0.00 H new ATOM 0 HB VAL B 613 8.773 5.936 -10.884 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.873 5.174 -12.251 1.00 0.00 H new ATOM 0 HG12 VAL B 613 8.066 6.071 -13.220 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.997 4.295 -13.316 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.594 3.859 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.748 2.926 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.312 3.800 -9.825 1.00 0.00 H new ATOM 1419 N LEU B 614 10.797 7.385 -12.371 1.00 0.00 N ATOM 1420 CA LEU B 614 11.018 8.611 -13.130 1.00 0.00 C ATOM 1421 C LEU B 614 12.232 8.475 -14.044 1.00 0.00 C ATOM 1422 O LEU B 614 12.379 9.222 -15.011 1.00 0.00 O ATOM 1423 CB LEU B 614 11.210 9.795 -12.180 1.00 0.00 C ATOM 1424 CG LEU B 614 10.159 9.951 -11.081 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.333 11.278 -10.360 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.757 9.838 -11.664 1.00 0.00 C ATOM 0 H LEU B 614 10.861 7.498 -11.359 1.00 0.00 H new ATOM 0 HA LEU B 614 10.139 8.789 -13.749 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.188 9.702 -11.709 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.227 10.710 -12.771 1.00 0.00 H new ATOM 0 HG LEU B 614 10.296 9.148 -10.357 1.00 0.00 H new ATOM 0 HD11 LEU B 614 9.576 11.371 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.324 11.320 -9.909 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.224 12.096 -11.072 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.022 9.951 -10.868 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.609 10.620 -12.409 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.636 8.862 -12.133 1.00 0.00 H new ATOM 1438 N GLN B 615 13.097 7.516 -13.730 1.00 0.00 N ATOM 1439 CA GLN B 615 14.298 7.282 -14.524 1.00 0.00 C ATOM 1440 C GLN B 615 13.943 7.026 -15.985 1.00 0.00 C ATOM 1441 O GLN B 615 14.755 7.256 -16.881 1.00 0.00 O ATOM 1442 CB GLN B 615 15.082 6.095 -13.963 1.00 0.00 C ATOM 1443 CG GLN B 615 16.492 5.980 -14.519 1.00 0.00 C ATOM 1444 CD GLN B 615 17.080 4.594 -14.339 1.00 0.00 C ATOM 1445 OE1 GLN B 615 16.536 3.607 -14.837 1.00 0.00 O ATOM 1446 NE2 GLN B 615 18.195 4.511 -13.624 1.00 0.00 N ATOM 0 H GLN B 615 12.989 6.889 -12.933 1.00 0.00 H new ATOM 0 HA GLN B 615 14.918 8.177 -14.471 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.134 6.185 -12.878 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.538 5.176 -14.181 1.00 0.00 H new ATOM 0 HG2 GLN B 615 16.482 6.231 -15.580 1.00 0.00 H new ATOM 0 HG3 GLN B 615 17.134 6.710 -14.025 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.612 5.354 -13.230 1.00 0.00 H new ATOM 0 HE22 GLN B 615 18.635 3.604 -13.469 1.00 0.00 H new