USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 599 SER OG : rot -133:sc= 0.811 USER MOD Set 1.2: B 602 SER OG : rot -170:sc= 0.167 USER MOD Set 2.1: B 546 THR OG1 : rot 180:sc= 0.281 USER MOD Set 2.2: B 548 SER OG : rot -77:sc= 0.296 USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 605 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0871 K(o=-0.087,f=-1.7!) USER MOD Single : A 70 ASN : amide:sc= -2.02! C(o=-2!,f=-3!) USER MOD Single : A 72 ASN : amide:sc= -0.265 X(o=-0.26,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 542 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 549 MET CE :methyl -164:sc= -0.292 (180deg=-1.16) USER MOD Single : B 552 SER OG : rot -57:sc= 0.136 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 558 GLN : amide:sc= -2.05 X(o=-2.1,f=-2.4) USER MOD Single : B 559 LYS NZ :NH3+ -153:sc= -0.263 (180deg=-0.845) USER MOD Single : B 560 GLN : amide:sc= -2.32 K(o=-2.3,f=-1.2!) USER MOD Single : B 561 MET CE :methyl -112:sc= -3.59! (180deg=-8.15!) USER MOD Single : B 571 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.8) USER MOD Single : B 573 MET CE :methyl -138:sc= -4.7! (180deg=-10.4!) USER MOD Single : B 574 HIS : no HD1:sc= -6.37! C(o=-6.4!,f=-6.2!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -1.44 USER MOD Single : B 580 LYS NZ :NH3+ -167:sc= -0.173 (180deg=-0.511) USER MOD Single : B 582 THR OG1 : rot 180:sc= -0.798 USER MOD Single : B 584 MET CE :methyl 163:sc= -8.75! (180deg=-10.4!) USER MOD Single : B 590 ASN : amide:sc= -6.01! C(o=-6!,f=-11!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : B 596 MET CE :methyl -158:sc= -3.06 (180deg=-4.03!) USER MOD Single : B 606 LYS NZ :NH3+ -165:sc= -1.01 (180deg=-1.24) USER MOD Single : B 615 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 617 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : B 618 GLN : amide:sc= -2.55 K(o=-2.5,f=-1.7) USER MOD Single : B 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 64 -0.061 -1.331 -0.950 1.00 0.00 N ATOM 2 CA ALA A 64 1.051 -0.601 -1.546 1.00 0.00 C ATOM 3 C ALA A 64 1.969 -1.538 -2.324 1.00 0.00 C ATOM 4 O ALA A 64 2.297 -2.630 -1.859 1.00 0.00 O ATOM 5 CB ALA A 64 1.836 0.135 -0.470 1.00 0.00 C ATOM 0 HA ALA A 64 0.641 0.128 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.663 0.676 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.180 0.840 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.227 -0.583 0.250 1.00 0.00 H new ATOM 11 N PHE A 65 2.379 -1.105 -3.511 1.00 0.00 N ATOM 12 CA PHE A 65 3.258 -1.906 -4.356 1.00 0.00 C ATOM 13 C PHE A 65 4.607 -1.219 -4.543 1.00 0.00 C ATOM 14 O PHE A 65 4.688 -0.129 -5.108 1.00 0.00 O ATOM 15 CB PHE A 65 2.605 -2.153 -5.718 1.00 0.00 C ATOM 16 CG PHE A 65 2.039 -0.912 -6.345 1.00 0.00 C ATOM 17 CD1 PHE A 65 0.775 -0.461 -6.002 1.00 0.00 C ATOM 18 CD2 PHE A 65 2.771 -0.196 -7.279 1.00 0.00 C ATOM 19 CE1 PHE A 65 0.251 0.682 -6.578 1.00 0.00 C ATOM 20 CE2 PHE A 65 2.253 0.947 -7.857 1.00 0.00 C ATOM 21 CZ PHE A 65 0.991 1.386 -7.507 1.00 0.00 C ATOM 0 H PHE A 65 2.117 -0.204 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 65 3.423 -2.863 -3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.343 -2.587 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.808 -2.888 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.192 -1.008 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.758 -0.535 -7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.736 1.023 -6.301 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.835 1.497 -8.582 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.584 2.278 -7.959 1.00 0.00 H new ATOM 31 N SER A 66 5.665 -1.865 -4.063 1.00 0.00 N ATOM 32 CA SER A 66 7.011 -1.315 -4.173 1.00 0.00 C ATOM 33 C SER A 66 7.717 -1.851 -5.414 1.00 0.00 C ATOM 34 O SER A 66 8.749 -1.325 -5.831 1.00 0.00 O ATOM 35 CB SER A 66 7.826 -1.653 -2.923 1.00 0.00 C ATOM 36 OG SER A 66 7.266 -1.049 -1.770 1.00 0.00 O ATOM 0 H SER A 66 5.616 -2.770 -3.594 1.00 0.00 H new ATOM 0 HA SER A 66 6.928 -0.232 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.862 -2.734 -2.790 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.854 -1.314 -3.052 1.00 0.00 H new ATOM 0 HG SER A 66 7.804 -1.282 -0.985 1.00 0.00 H new ATOM 42 N ARG A 67 7.153 -2.902 -6.001 1.00 0.00 N ATOM 43 CA ARG A 67 7.728 -3.511 -7.194 1.00 0.00 C ATOM 44 C ARG A 67 8.002 -2.458 -8.264 1.00 0.00 C ATOM 45 O ARG A 67 9.146 -2.256 -8.670 1.00 0.00 O ATOM 46 CB ARG A 67 6.789 -4.584 -7.748 1.00 0.00 C ATOM 47 CG ARG A 67 7.447 -5.505 -8.763 1.00 0.00 C ATOM 48 CD ARG A 67 7.384 -4.922 -10.166 1.00 0.00 C ATOM 49 NE ARG A 67 7.606 -5.939 -11.191 1.00 0.00 N ATOM 50 CZ ARG A 67 6.700 -6.847 -11.534 1.00 0.00 C ATOM 51 NH1 ARG A 67 5.516 -6.865 -10.937 1.00 0.00 N ATOM 52 NH2 ARG A 67 6.976 -7.740 -12.476 1.00 0.00 N ATOM 0 H ARG A 67 6.298 -3.349 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 67 8.674 -3.975 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.407 -5.183 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.931 -4.099 -8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.487 -5.672 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.953 -6.476 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.411 -4.456 -10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.133 -4.136 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 67 8.507 -5.952 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.300 -6.180 -10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.822 -7.564 -11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.885 -7.730 -12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.279 -8.437 -12.738 1.00 0.00 H new ATOM 66 N GLN A 68 6.945 -1.792 -8.715 1.00 0.00 N ATOM 67 CA GLN A 68 7.072 -0.761 -9.738 1.00 0.00 C ATOM 68 C GLN A 68 5.779 0.037 -9.871 1.00 0.00 C ATOM 69 O GLN A 68 4.684 -0.504 -9.713 1.00 0.00 O ATOM 70 CB GLN A 68 7.437 -1.390 -11.084 1.00 0.00 C ATOM 71 CG GLN A 68 7.339 -0.425 -12.254 1.00 0.00 C ATOM 72 CD GLN A 68 8.114 -0.898 -13.468 1.00 0.00 C ATOM 73 OE1 GLN A 68 9.022 -1.723 -13.356 1.00 0.00 O ATOM 74 NE2 GLN A 68 7.759 -0.378 -14.637 1.00 0.00 N ATOM 0 H GLN A 68 5.991 -1.947 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 68 7.868 -0.081 -9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.454 -1.780 -11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.779 -2.240 -11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.291 -0.294 -12.525 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.713 0.552 -11.947 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.001 0.303 -14.683 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.245 -0.659 -15.489 1.00 0.00 H new ATOM 83 N LEU A 69 5.913 1.327 -10.161 1.00 0.00 N ATOM 84 CA LEU A 69 4.755 2.200 -10.315 1.00 0.00 C ATOM 85 C LEU A 69 4.803 2.939 -11.648 1.00 0.00 C ATOM 86 O LEU A 69 5.692 2.707 -12.466 1.00 0.00 O ATOM 87 CB LEU A 69 4.694 3.206 -9.164 1.00 0.00 C ATOM 88 CG LEU A 69 5.986 3.968 -8.869 1.00 0.00 C ATOM 89 CD1 LEU A 69 6.108 5.183 -9.776 1.00 0.00 C ATOM 90 CD2 LEU A 69 6.038 4.385 -7.407 1.00 0.00 C ATOM 0 H LEU A 69 6.812 1.791 -10.294 1.00 0.00 H new ATOM 0 HA LEU A 69 3.859 1.580 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.910 3.931 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.394 2.676 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 69 6.829 3.306 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.034 5.713 -9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.118 4.860 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.260 5.848 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.965 4.926 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.188 5.030 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.998 3.498 -6.774 1.00 0.00 H new ATOM 102 N ASN A 70 3.841 3.831 -11.860 1.00 0.00 N ATOM 103 CA ASN A 70 3.774 4.605 -13.094 1.00 0.00 C ATOM 104 C ASN A 70 4.127 6.068 -12.839 1.00 0.00 C ATOM 105 O ASN A 70 3.712 6.652 -11.838 1.00 0.00 O ATOM 106 CB ASN A 70 2.376 4.506 -13.708 1.00 0.00 C ATOM 107 CG ASN A 70 1.297 5.016 -12.773 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.088 4.468 -11.690 1.00 0.00 O ATOM 109 ND2 ASN A 70 0.604 6.070 -13.188 1.00 0.00 N ATOM 0 H ASN A 70 3.097 4.036 -11.193 1.00 0.00 H new ATOM 0 HA ASN A 70 4.501 4.191 -13.793 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.348 5.077 -14.636 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.168 3.468 -13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.135 6.457 -12.602 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.811 6.492 -14.093 1.00 0.00 H new ATOM 116 N VAL A 71 4.896 6.653 -13.751 1.00 0.00 N ATOM 117 CA VAL A 71 5.304 8.047 -13.627 1.00 0.00 C ATOM 118 C VAL A 71 4.241 8.984 -14.191 1.00 0.00 C ATOM 119 O VAL A 71 4.239 10.180 -13.906 1.00 0.00 O ATOM 120 CB VAL A 71 6.639 8.308 -14.349 1.00 0.00 C ATOM 121 CG1 VAL A 71 6.514 7.992 -15.832 1.00 0.00 C ATOM 122 CG2 VAL A 71 7.086 9.747 -14.138 1.00 0.00 C ATOM 0 H VAL A 71 5.249 6.183 -14.584 1.00 0.00 H new ATOM 0 HA VAL A 71 5.431 8.246 -12.563 1.00 0.00 H new ATOM 0 HB VAL A 71 7.397 7.650 -13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.467 8.182 -16.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.242 6.944 -15.959 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.743 8.623 -16.275 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.031 9.914 -14.655 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.330 10.425 -14.535 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.217 9.935 -13.072 1.00 0.00 H new ATOM 132 N ASN A 72 3.339 8.429 -14.995 1.00 0.00 N ATOM 133 CA ASN A 72 2.270 9.215 -15.600 1.00 0.00 C ATOM 134 C ASN A 72 1.256 9.657 -14.549 1.00 0.00 C ATOM 135 O ASN A 72 0.486 10.591 -14.768 1.00 0.00 O ATOM 136 CB ASN A 72 1.569 8.405 -16.692 1.00 0.00 C ATOM 137 CG ASN A 72 2.235 8.560 -18.045 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.588 8.914 -19.031 1.00 0.00 O ATOM 139 ND2 ASN A 72 3.535 8.295 -18.099 1.00 0.00 N ATOM 0 H ASN A 72 3.327 7.439 -15.242 1.00 0.00 H new ATOM 0 HA ASN A 72 2.715 10.105 -16.045 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.563 7.352 -16.412 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.529 8.722 -16.764 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.037 8.382 -18.983 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.032 8.005 -17.257 1.00 0.00 H new ATOM 146 N ALA A 73 1.264 8.978 -13.406 1.00 0.00 N ATOM 147 CA ALA A 73 0.347 9.301 -12.320 1.00 0.00 C ATOM 148 C ALA A 73 0.399 10.788 -11.983 1.00 0.00 C ATOM 149 O ALA A 73 1.462 11.331 -11.685 1.00 0.00 O ATOM 150 CB ALA A 73 0.673 8.468 -11.089 1.00 0.00 C ATOM 0 H ALA A 73 1.895 8.201 -13.209 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.665 9.064 -12.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.020 8.719 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.579 7.409 -11.331 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.693 8.678 -10.767 1.00 0.00 H new ATOM 156 N LYS A 74 -0.757 11.441 -12.032 1.00 0.00 N ATOM 157 CA LYS A 74 -0.846 12.865 -11.732 1.00 0.00 C ATOM 158 C LYS A 74 -0.187 13.180 -10.392 1.00 0.00 C ATOM 159 O LYS A 74 0.015 12.304 -9.551 1.00 0.00 O ATOM 160 CB LYS A 74 -2.309 13.313 -11.711 1.00 0.00 C ATOM 161 CG LYS A 74 -2.818 13.789 -13.060 1.00 0.00 C ATOM 162 CD LYS A 74 -3.870 14.875 -12.908 1.00 0.00 C ATOM 163 CE LYS A 74 -4.261 15.465 -14.254 1.00 0.00 C ATOM 164 NZ LYS A 74 -5.502 16.283 -14.162 1.00 0.00 N ATOM 0 H LYS A 74 -1.646 11.006 -12.277 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.318 13.410 -12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.929 12.484 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.424 14.117 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.985 14.169 -13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.240 12.947 -13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.753 14.462 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.488 15.665 -12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.446 16.083 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.409 14.660 -14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.735 16.667 -15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.286 15.688 -13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.353 17.066 -13.494 1.00 0.00 H new ATOM 178 N PRO A 75 0.154 14.461 -10.187 1.00 0.00 N ATOM 179 CA PRO A 75 0.793 14.921 -8.950 1.00 0.00 C ATOM 180 C PRO A 75 -0.157 14.881 -7.758 1.00 0.00 C ATOM 181 O PRO A 75 -0.234 13.878 -7.047 1.00 0.00 O ATOM 182 CB PRO A 75 1.187 16.365 -9.271 1.00 0.00 C ATOM 183 CG PRO A 75 0.235 16.790 -10.335 1.00 0.00 C ATOM 184 CD PRO A 75 -0.057 15.558 -11.146 1.00 0.00 C ATOM 0 HA PRO A 75 1.634 14.288 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.107 17.002 -8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.219 16.426 -9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.678 17.197 -9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.669 17.573 -10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.076 15.563 -11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.609 15.475 -12.005 1.00 0.00 H new ATOM 192 N PHE A 76 -0.879 15.976 -7.544 1.00 0.00 N ATOM 193 CA PHE A 76 -1.823 16.066 -6.437 1.00 0.00 C ATOM 194 C PHE A 76 -2.656 17.340 -6.535 1.00 0.00 C ATOM 195 O PHE A 76 -2.647 18.024 -7.558 1.00 0.00 O ATOM 196 CB PHE A 76 -1.080 16.030 -5.100 1.00 0.00 C ATOM 197 CG PHE A 76 -0.239 17.249 -4.849 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.896 17.492 -5.606 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.583 18.152 -3.856 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.672 18.613 -5.378 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.188 19.275 -3.624 1.00 0.00 C ATOM 202 CZ PHE A 76 1.318 19.505 -4.385 1.00 0.00 C ATOM 0 H PHE A 76 -0.828 16.814 -8.123 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.494 15.209 -6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.805 15.926 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.443 15.146 -5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.178 16.797 -6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.464 17.976 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.554 18.791 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.092 19.972 -2.848 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.923 20.381 -4.204 1.00 0.00 H new ATOM 212 N VAL A 77 -3.377 17.653 -5.462 1.00 0.00 N ATOM 213 CA VAL A 77 -4.215 18.845 -5.425 1.00 0.00 C ATOM 214 C VAL A 77 -3.637 19.895 -4.483 1.00 0.00 C ATOM 215 O VAL A 77 -4.027 20.002 -3.320 1.00 0.00 O ATOM 216 CB VAL A 77 -5.651 18.508 -4.982 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.494 19.771 -4.896 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.279 17.501 -5.933 1.00 0.00 C ATOM 0 H VAL A 77 -3.397 17.097 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.240 19.246 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.611 18.059 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.505 19.513 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.052 20.455 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.530 20.252 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.293 17.274 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.308 17.920 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.686 16.586 -5.938 1.00 0.00 H new ATOM 228 N PRO A 78 -2.685 20.689 -4.994 1.00 0.00 N ATOM 229 CA PRO A 78 -2.034 21.746 -4.215 1.00 0.00 C ATOM 230 C PRO A 78 -2.975 22.906 -3.910 1.00 0.00 C ATOM 231 O PRO A 78 -4.130 22.908 -4.333 1.00 0.00 O ATOM 232 CB PRO A 78 -0.894 22.208 -5.127 1.00 0.00 C ATOM 233 CG PRO A 78 -1.351 21.870 -6.504 1.00 0.00 C ATOM 234 CD PRO A 78 -2.172 20.617 -6.372 1.00 0.00 C ATOM 0 HA PRO A 78 -1.701 21.387 -3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.711 23.277 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.039 21.700 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.942 22.681 -6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.502 21.712 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.982 20.588 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.569 19.723 -6.530 1.00 0.00 H new ATOM 242 N ASN A 79 -2.473 23.892 -3.173 1.00 0.00 N ATOM 243 CA ASN A 79 -3.271 25.058 -2.812 1.00 0.00 C ATOM 244 C ASN A 79 -2.993 26.222 -3.759 1.00 0.00 C ATOM 245 O ASN A 79 -2.347 27.200 -3.385 1.00 0.00 O ATOM 246 CB ASN A 79 -2.974 25.477 -1.370 1.00 0.00 C ATOM 247 CG ASN A 79 -4.046 26.388 -0.801 1.00 0.00 C ATOM 248 OD1 ASN A 79 -3.760 27.501 -0.360 1.00 0.00 O ATOM 249 ND2 ASN A 79 -5.287 25.916 -0.808 1.00 0.00 N ATOM 0 H ASN A 79 -1.518 23.907 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.324 24.788 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.888 24.587 -0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.011 25.986 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.050 26.482 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.477 24.987 -1.184 1.00 0.00 H new ATOM 256 N VAL A 80 -3.488 26.108 -4.987 1.00 0.00 N ATOM 257 CA VAL A 80 -3.295 27.151 -5.988 1.00 0.00 C ATOM 258 C VAL A 80 -4.468 27.201 -6.962 1.00 0.00 C ATOM 259 O VAL A 80 -4.937 26.168 -7.439 1.00 0.00 O ATOM 260 CB VAL A 80 -1.993 26.934 -6.782 1.00 0.00 C ATOM 261 CG1 VAL A 80 -2.048 25.622 -7.550 1.00 0.00 C ATOM 262 CG2 VAL A 80 -1.742 28.102 -7.723 1.00 0.00 C ATOM 0 H VAL A 80 -4.025 25.305 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.231 28.097 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.163 26.880 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.120 25.486 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.177 24.796 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.887 25.643 -8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.818 27.932 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.573 28.190 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.655 29.022 -7.145 1.00 0.00 H new ATOM 272 N HIS A 81 -4.936 28.411 -7.252 1.00 0.00 N ATOM 273 CA HIS A 81 -6.054 28.597 -8.170 1.00 0.00 C ATOM 274 C HIS A 81 -5.802 27.871 -9.488 1.00 0.00 C ATOM 275 O HIS A 81 -6.697 27.225 -10.033 1.00 0.00 O ATOM 276 CB HIS A 81 -6.285 30.086 -8.431 1.00 0.00 C ATOM 277 CG HIS A 81 -6.770 30.836 -7.229 1.00 0.00 C ATOM 278 ND1 HIS A 81 -5.968 31.688 -6.500 1.00 0.00 N ATOM 279 CD2 HIS A 81 -7.984 30.861 -6.631 1.00 0.00 C ATOM 280 CE1 HIS A 81 -6.667 32.203 -5.504 1.00 0.00 C ATOM 281 NE2 HIS A 81 -7.894 31.717 -5.562 1.00 0.00 N ATOM 0 H HIS A 81 -4.559 29.276 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.946 28.174 -7.707 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.354 30.534 -8.778 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.011 30.197 -9.236 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.861 30.310 -6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.298 32.902 -4.768 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -8.652 31.941 -4.917 1.00 0.00 H new ATOM 289 N ALA A 82 -4.578 27.982 -9.994 1.00 0.00 N ATOM 290 CA ALA A 82 -4.208 27.335 -11.247 1.00 0.00 C ATOM 291 C ALA A 82 -3.242 26.180 -11.004 1.00 0.00 C ATOM 292 O ALA A 82 -2.507 25.808 -11.918 1.00 0.00 O ATOM 293 CB ALA A 82 -3.594 28.347 -12.203 1.00 0.00 C ATOM 0 H ALA A 82 -3.826 28.514 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.113 26.929 -11.698 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.323 27.850 -13.134 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.316 29.136 -12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.702 28.781 -11.750 1.00 0.00 H new TER 299 ALA A 82 ATOM 300 N GLY B 541 6.928 23.163 13.693 1.00 0.00 N ATOM 301 CA GLY B 541 6.654 23.566 15.059 1.00 0.00 C ATOM 302 C GLY B 541 6.074 22.440 15.891 1.00 0.00 C ATOM 303 O GLY B 541 4.908 22.487 16.283 1.00 0.00 O ATOM 0 HA2 GLY B 541 7.576 23.918 15.522 1.00 0.00 H new ATOM 0 HA3 GLY B 541 5.959 24.405 15.054 1.00 0.00 H new ATOM 307 N GLN B 542 6.888 21.424 16.160 1.00 0.00 N ATOM 308 CA GLN B 542 6.446 20.280 16.949 1.00 0.00 C ATOM 309 C GLN B 542 5.014 19.895 16.595 1.00 0.00 C ATOM 310 O GLN B 542 4.207 19.594 17.474 1.00 0.00 O ATOM 311 CB GLN B 542 6.549 20.593 18.442 1.00 0.00 C ATOM 312 CG GLN B 542 5.667 21.750 18.883 1.00 0.00 C ATOM 313 CD GLN B 542 5.720 21.987 20.380 1.00 0.00 C ATOM 314 OE1 GLN B 542 6.031 21.081 21.153 1.00 0.00 O ATOM 315 NE2 GLN B 542 5.417 23.211 20.797 1.00 0.00 N ATOM 0 H GLN B 542 7.856 21.370 15.843 1.00 0.00 H new ATOM 0 HA GLN B 542 7.097 19.437 16.716 1.00 0.00 H new ATOM 0 HB2 GLN B 542 6.278 19.703 19.011 1.00 0.00 H new ATOM 0 HB3 GLN B 542 7.586 20.824 18.686 1.00 0.00 H new ATOM 0 HG2 GLN B 542 5.978 22.657 18.364 1.00 0.00 H new ATOM 0 HG3 GLN B 542 4.637 21.550 18.587 1.00 0.00 H new ATOM 0 HE21 GLN B 542 5.165 23.932 20.121 1.00 0.00 H new ATOM 0 HE22 GLN B 542 5.437 23.430 21.793 1.00 0.00 H new ATOM 324 N GLU B 543 4.704 19.909 15.302 1.00 0.00 N ATOM 325 CA GLU B 543 3.368 19.562 14.833 1.00 0.00 C ATOM 326 C GLU B 543 3.438 18.686 13.586 1.00 0.00 C ATOM 327 O GLU B 543 3.150 19.124 12.472 1.00 0.00 O ATOM 328 CB GLU B 543 2.563 20.829 14.535 1.00 0.00 C ATOM 329 CG GLU B 543 1.893 21.427 15.761 1.00 0.00 C ATOM 330 CD GLU B 543 0.958 22.570 15.416 1.00 0.00 C ATOM 331 OE1 GLU B 543 0.223 22.454 14.414 1.00 0.00 O ATOM 332 OE2 GLU B 543 0.963 23.581 16.149 1.00 0.00 O ATOM 0 H GLU B 543 5.360 20.157 14.561 1.00 0.00 H new ATOM 0 HA GLU B 543 2.869 19.000 15.622 1.00 0.00 H new ATOM 0 HB2 GLU B 543 3.225 21.574 14.093 1.00 0.00 H new ATOM 0 HB3 GLU B 543 1.801 20.598 13.791 1.00 0.00 H new ATOM 0 HG2 GLU B 543 1.333 20.649 16.280 1.00 0.00 H new ATOM 0 HG3 GLU B 543 2.658 21.784 16.451 1.00 0.00 H new ATOM 339 N PRO B 544 3.833 17.418 13.775 1.00 0.00 N ATOM 340 CA PRO B 544 3.951 16.454 12.678 1.00 0.00 C ATOM 341 C PRO B 544 2.594 16.051 12.111 1.00 0.00 C ATOM 342 O PRO B 544 1.572 16.145 12.793 1.00 0.00 O ATOM 343 CB PRO B 544 4.635 15.252 13.334 1.00 0.00 C ATOM 344 CG PRO B 544 4.283 15.357 14.778 1.00 0.00 C ATOM 345 CD PRO B 544 4.192 16.828 15.076 1.00 0.00 C ATOM 0 HA PRO B 544 4.501 16.865 11.832 1.00 0.00 H new ATOM 0 HB2 PRO B 544 4.281 14.314 12.907 1.00 0.00 H new ATOM 0 HB3 PRO B 544 5.715 15.282 13.187 1.00 0.00 H new ATOM 0 HG2 PRO B 544 3.337 14.857 14.986 1.00 0.00 H new ATOM 0 HG3 PRO B 544 5.040 14.879 15.400 1.00 0.00 H new ATOM 0 HD2 PRO B 544 3.438 17.038 15.834 1.00 0.00 H new ATOM 0 HD3 PRO B 544 5.138 17.222 15.449 1.00 0.00 H new ATOM 353 N LEU B 545 2.590 15.601 10.861 1.00 0.00 N ATOM 354 CA LEU B 545 1.357 15.182 10.203 1.00 0.00 C ATOM 355 C LEU B 545 0.957 13.776 10.639 1.00 0.00 C ATOM 356 O LEU B 545 1.803 12.889 10.765 1.00 0.00 O ATOM 357 CB LEU B 545 1.526 15.229 8.683 1.00 0.00 C ATOM 358 CG LEU B 545 0.248 15.066 7.860 1.00 0.00 C ATOM 359 CD1 LEU B 545 -0.553 16.359 7.856 1.00 0.00 C ATOM 360 CD2 LEU B 545 0.580 14.637 6.438 1.00 0.00 C ATOM 0 H LEU B 545 3.426 15.517 10.283 1.00 0.00 H new ATOM 0 HA LEU B 545 0.565 15.872 10.496 1.00 0.00 H new ATOM 0 HB2 LEU B 545 1.986 16.181 8.418 1.00 0.00 H new ATOM 0 HB3 LEU B 545 2.225 14.445 8.391 1.00 0.00 H new ATOM 0 HG LEU B 545 -0.361 14.287 8.320 1.00 0.00 H new ATOM 0 HD11 LEU B 545 -1.459 16.224 7.265 1.00 0.00 H new ATOM 0 HD12 LEU B 545 -0.822 16.623 8.879 1.00 0.00 H new ATOM 0 HD13 LEU B 545 0.048 17.158 7.421 1.00 0.00 H new ATOM 0 HD21 LEU B 545 -0.342 14.526 5.867 1.00 0.00 H new ATOM 0 HD22 LEU B 545 1.209 15.392 5.968 1.00 0.00 H new ATOM 0 HD23 LEU B 545 1.110 13.685 6.460 1.00 0.00 H new ATOM 372 N THR B 546 -0.338 13.578 10.865 1.00 0.00 N ATOM 373 CA THR B 546 -0.850 12.280 11.285 1.00 0.00 C ATOM 374 C THR B 546 -2.229 12.015 10.692 1.00 0.00 C ATOM 375 O THR B 546 -2.773 12.847 9.966 1.00 0.00 O ATOM 376 CB THR B 546 -0.936 12.180 12.820 1.00 0.00 C ATOM 377 OG1 THR B 546 -2.030 12.968 13.302 1.00 0.00 O ATOM 378 CG2 THR B 546 0.358 12.651 13.466 1.00 0.00 C ATOM 0 H THR B 546 -1.051 14.300 10.764 1.00 0.00 H new ATOM 0 HA THR B 546 -0.149 11.530 10.918 1.00 0.00 H new ATOM 0 HB THR B 546 -1.097 11.135 13.085 1.00 0.00 H new ATOM 0 HG1 THR B 546 -2.079 12.898 14.278 1.00 0.00 H new ATOM 0 HG21 THR B 546 0.274 12.571 14.550 1.00 0.00 H new ATOM 0 HG22 THR B 546 1.184 12.030 13.120 1.00 0.00 H new ATOM 0 HG23 THR B 546 0.545 13.689 13.192 1.00 0.00 H new ATOM 386 N ALA B 547 -2.790 10.853 11.007 1.00 0.00 N ATOM 387 CA ALA B 547 -4.108 10.480 10.507 1.00 0.00 C ATOM 388 C ALA B 547 -5.185 11.410 11.054 1.00 0.00 C ATOM 389 O ALA B 547 -6.215 11.625 10.415 1.00 0.00 O ATOM 390 CB ALA B 547 -4.420 9.035 10.870 1.00 0.00 C ATOM 0 H ALA B 547 -2.353 10.153 11.606 1.00 0.00 H new ATOM 0 HA ALA B 547 -4.099 10.576 9.421 1.00 0.00 H new ATOM 0 HB1 ALA B 547 -5.407 8.770 10.491 1.00 0.00 H new ATOM 0 HB2 ALA B 547 -3.672 8.379 10.426 1.00 0.00 H new ATOM 0 HB3 ALA B 547 -4.405 8.921 11.954 1.00 0.00 H new ATOM 396 N SER B 548 -4.942 11.958 12.240 1.00 0.00 N ATOM 397 CA SER B 548 -5.894 12.862 12.874 1.00 0.00 C ATOM 398 C SER B 548 -6.052 14.143 12.061 1.00 0.00 C ATOM 399 O SER B 548 -7.103 14.783 12.089 1.00 0.00 O ATOM 400 CB SER B 548 -5.440 13.199 14.296 1.00 0.00 C ATOM 401 OG SER B 548 -4.580 14.325 14.303 1.00 0.00 O ATOM 0 H SER B 548 -4.094 11.792 12.781 1.00 0.00 H new ATOM 0 HA SER B 548 -6.860 12.360 12.918 1.00 0.00 H new ATOM 0 HB2 SER B 548 -6.310 13.398 14.921 1.00 0.00 H new ATOM 0 HB3 SER B 548 -4.925 12.342 14.730 1.00 0.00 H new ATOM 0 HG SER B 548 -3.688 14.057 13.999 1.00 0.00 H new ATOM 407 N MET B 549 -4.999 14.511 11.338 1.00 0.00 N ATOM 408 CA MET B 549 -5.020 15.715 10.516 1.00 0.00 C ATOM 409 C MET B 549 -6.111 15.629 9.454 1.00 0.00 C ATOM 410 O MET B 549 -6.905 16.557 9.289 1.00 0.00 O ATOM 411 CB MET B 549 -3.659 15.928 9.850 1.00 0.00 C ATOM 412 CG MET B 549 -2.577 16.388 10.813 1.00 0.00 C ATOM 413 SD MET B 549 -2.672 18.152 11.173 1.00 0.00 S ATOM 414 CE MET B 549 -1.068 18.703 10.597 1.00 0.00 C ATOM 0 H MET B 549 -4.121 13.993 11.305 1.00 0.00 H new ATOM 0 HA MET B 549 -5.235 16.564 11.165 1.00 0.00 H new ATOM 0 HB2 MET B 549 -3.344 14.996 9.380 1.00 0.00 H new ATOM 0 HB3 MET B 549 -3.764 16.666 9.055 1.00 0.00 H new ATOM 0 HG2 MET B 549 -2.661 15.826 11.743 1.00 0.00 H new ATOM 0 HG3 MET B 549 -1.599 16.160 10.390 1.00 0.00 H new ATOM 0 HE1 MET B 549 -0.857 19.694 11.000 1.00 0.00 H new ATOM 0 HE2 MET B 549 -0.301 18.005 10.932 1.00 0.00 H new ATOM 0 HE3 MET B 549 -1.068 18.746 9.508 1.00 0.00 H new ATOM 424 N LEU B 550 -6.146 14.512 8.737 1.00 0.00 N ATOM 425 CA LEU B 550 -7.140 14.305 7.689 1.00 0.00 C ATOM 426 C LEU B 550 -8.428 13.727 8.268 1.00 0.00 C ATOM 427 O LEU B 550 -9.496 13.842 7.668 1.00 0.00 O ATOM 428 CB LEU B 550 -6.588 13.371 6.611 1.00 0.00 C ATOM 429 CG LEU B 550 -5.100 13.521 6.292 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.721 12.660 5.097 1.00 0.00 C ATOM 431 CD2 LEU B 550 -4.753 14.979 6.033 1.00 0.00 C ATOM 0 H LEU B 550 -5.497 13.735 8.862 1.00 0.00 H new ATOM 0 HA LEU B 550 -7.366 15.272 7.241 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -6.771 12.342 6.921 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.154 13.533 5.694 1.00 0.00 H new ATOM 0 HG LEU B 550 -4.528 13.181 7.155 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.659 12.780 4.885 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.931 11.614 5.321 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -5.302 12.968 4.228 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -3.690 15.066 5.808 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -5.334 15.347 5.187 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -4.986 15.571 6.918 1.00 0.00 H new ATOM 443 N ALA B 551 -8.318 13.108 9.439 1.00 0.00 N ATOM 444 CA ALA B 551 -9.474 12.516 10.100 1.00 0.00 C ATOM 445 C ALA B 551 -10.619 13.518 10.207 1.00 0.00 C ATOM 446 O ALA B 551 -11.751 13.225 9.821 1.00 0.00 O ATOM 447 CB ALA B 551 -9.088 12.004 11.480 1.00 0.00 C ATOM 0 H ALA B 551 -7.441 13.004 9.949 1.00 0.00 H new ATOM 0 HA ALA B 551 -9.816 11.676 9.495 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -9.961 11.564 11.962 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.308 11.249 11.383 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -8.718 12.832 12.085 1.00 0.00 H new ATOM 453 N SER B 552 -10.317 14.700 10.733 1.00 0.00 N ATOM 454 CA SER B 552 -11.322 15.744 10.894 1.00 0.00 C ATOM 455 C SER B 552 -11.324 16.687 9.695 1.00 0.00 C ATOM 456 O SER B 552 -11.427 17.904 9.848 1.00 0.00 O ATOM 457 CB SER B 552 -11.065 16.535 12.179 1.00 0.00 C ATOM 458 OG SER B 552 -12.199 17.305 12.539 1.00 0.00 O ATOM 0 H SER B 552 -9.384 14.959 11.055 1.00 0.00 H new ATOM 0 HA SER B 552 -12.299 15.266 10.959 1.00 0.00 H new ATOM 0 HB2 SER B 552 -10.815 15.849 12.988 1.00 0.00 H new ATOM 0 HB3 SER B 552 -10.205 17.191 12.040 1.00 0.00 H new ATOM 0 HG SER B 552 -12.434 17.906 11.801 1.00 0.00 H new ATOM 464 N ALA B 553 -11.208 16.115 8.501 1.00 0.00 N ATOM 465 CA ALA B 553 -11.198 16.903 7.274 1.00 0.00 C ATOM 466 C ALA B 553 -11.866 16.147 6.131 1.00 0.00 C ATOM 467 O ALA B 553 -12.019 14.926 6.168 1.00 0.00 O ATOM 468 CB ALA B 553 -9.772 17.278 6.900 1.00 0.00 C ATOM 0 H ALA B 553 -11.120 15.109 8.357 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.767 17.815 7.452 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.779 17.866 5.982 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.327 17.865 7.704 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.186 16.372 6.746 1.00 0.00 H new ATOM 474 N PRO B 554 -12.275 16.888 5.090 1.00 0.00 N ATOM 475 CA PRO B 554 -12.934 16.307 3.916 1.00 0.00 C ATOM 476 C PRO B 554 -11.980 15.470 3.071 1.00 0.00 C ATOM 477 O PRO B 554 -10.764 15.491 3.260 1.00 0.00 O ATOM 478 CB PRO B 554 -13.406 17.534 3.131 1.00 0.00 C ATOM 479 CG PRO B 554 -12.481 18.627 3.544 1.00 0.00 C ATOM 480 CD PRO B 554 -12.125 18.348 4.979 1.00 0.00 C ATOM 0 HA PRO B 554 -13.738 15.627 4.195 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.357 17.359 2.056 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.441 17.781 3.367 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.590 18.642 2.917 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.959 19.602 3.443 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.108 18.666 5.210 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.787 18.873 5.667 1.00 0.00 H new ATOM 488 N PRO B 555 -12.542 14.714 2.116 1.00 0.00 N ATOM 489 CA PRO B 555 -11.759 13.855 1.222 1.00 0.00 C ATOM 490 C PRO B 555 -10.924 14.659 0.232 1.00 0.00 C ATOM 491 O PRO B 555 -10.105 14.101 -0.498 1.00 0.00 O ATOM 492 CB PRO B 555 -12.827 13.042 0.486 1.00 0.00 C ATOM 493 CG PRO B 555 -14.049 13.893 0.531 1.00 0.00 C ATOM 494 CD PRO B 555 -13.986 14.640 1.835 1.00 0.00 C ATOM 0 HA PRO B 555 -11.041 13.244 1.769 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.528 12.833 -0.541 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.996 12.080 0.970 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -14.076 14.583 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.951 13.284 0.473 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.431 15.632 1.752 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.523 14.115 2.625 1.00 0.00 H new ATOM 502 N GLN B 556 -11.137 15.970 0.212 1.00 0.00 N ATOM 503 CA GLN B 556 -10.403 16.850 -0.690 1.00 0.00 C ATOM 504 C GLN B 556 -9.190 17.456 0.008 1.00 0.00 C ATOM 505 O GLN B 556 -8.085 17.453 -0.534 1.00 0.00 O ATOM 506 CB GLN B 556 -11.316 17.962 -1.208 1.00 0.00 C ATOM 507 CG GLN B 556 -12.581 17.448 -1.877 1.00 0.00 C ATOM 508 CD GLN B 556 -13.169 18.444 -2.857 1.00 0.00 C ATOM 509 OE1 GLN B 556 -12.483 18.924 -3.760 1.00 0.00 O ATOM 510 NE2 GLN B 556 -14.447 18.761 -2.684 1.00 0.00 N ATOM 0 H GLN B 556 -11.812 16.447 0.810 1.00 0.00 H new ATOM 0 HA GLN B 556 -10.054 16.254 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.592 18.611 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.762 18.574 -1.919 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -12.359 16.518 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -13.323 17.215 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -14.978 18.339 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -14.897 19.426 -3.313 1.00 0.00 H new ATOM 519 N GLU B 557 -9.404 17.975 1.213 1.00 0.00 N ATOM 520 CA GLU B 557 -8.328 18.585 1.984 1.00 0.00 C ATOM 521 C GLU B 557 -7.241 17.564 2.304 1.00 0.00 C ATOM 522 O GLU B 557 -6.089 17.923 2.546 1.00 0.00 O ATOM 523 CB GLU B 557 -8.876 19.187 3.280 1.00 0.00 C ATOM 524 CG GLU B 557 -9.329 20.630 3.137 1.00 0.00 C ATOM 525 CD GLU B 557 -10.383 20.806 2.060 1.00 0.00 C ATOM 526 OE1 GLU B 557 -10.051 20.629 0.870 1.00 0.00 O ATOM 527 OE2 GLU B 557 -11.540 21.122 2.409 1.00 0.00 O ATOM 0 H GLU B 557 -10.313 17.985 1.676 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.889 19.380 1.380 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.716 18.584 3.624 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.107 19.131 4.050 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -9.727 20.978 4.090 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -8.468 21.256 2.903 1.00 0.00 H new ATOM 534 N GLN B 558 -7.617 16.289 2.304 1.00 0.00 N ATOM 535 CA GLN B 558 -6.674 15.215 2.596 1.00 0.00 C ATOM 536 C GLN B 558 -5.443 15.313 1.702 1.00 0.00 C ATOM 537 O GLN B 558 -4.361 15.686 2.156 1.00 0.00 O ATOM 538 CB GLN B 558 -7.347 13.854 2.411 1.00 0.00 C ATOM 539 CG GLN B 558 -8.541 13.635 3.326 1.00 0.00 C ATOM 540 CD GLN B 558 -8.498 12.295 4.032 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.909 11.335 3.533 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.123 12.221 5.202 1.00 0.00 N ATOM 0 H GLN B 558 -8.567 15.975 2.105 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.355 15.317 3.633 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.671 13.756 1.375 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.613 13.068 2.591 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.575 14.432 4.069 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.459 13.704 2.742 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.599 13.041 5.579 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.127 11.344 5.723 1.00 0.00 H new ATOM 551 N LYS B 559 -5.614 14.975 0.429 1.00 0.00 N ATOM 552 CA LYS B 559 -4.518 15.026 -0.531 1.00 0.00 C ATOM 553 C LYS B 559 -3.817 16.380 -0.486 1.00 0.00 C ATOM 554 O LYS B 559 -2.610 16.471 -0.708 1.00 0.00 O ATOM 555 CB LYS B 559 -5.038 14.755 -1.945 1.00 0.00 C ATOM 556 CG LYS B 559 -6.171 15.676 -2.363 1.00 0.00 C ATOM 557 CD LYS B 559 -6.901 15.143 -3.584 1.00 0.00 C ATOM 558 CE LYS B 559 -8.273 15.782 -3.737 1.00 0.00 C ATOM 559 NZ LYS B 559 -8.910 15.424 -5.034 1.00 0.00 N ATOM 0 H LYS B 559 -6.502 14.662 0.038 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.796 14.255 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -4.215 14.861 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.380 13.722 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.874 15.787 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.774 16.668 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -6.307 15.336 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -7.009 14.062 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -8.916 15.463 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -8.179 16.866 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -9.570 16.176 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -8.176 15.316 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -9.429 14.529 -4.930 1.00 0.00 H new ATOM 573 N GLN B 560 -4.582 17.427 -0.196 1.00 0.00 N ATOM 574 CA GLN B 560 -4.033 18.776 -0.121 1.00 0.00 C ATOM 575 C GLN B 560 -3.027 18.892 1.020 1.00 0.00 C ATOM 576 O GLN B 560 -1.822 18.994 0.790 1.00 0.00 O ATOM 577 CB GLN B 560 -5.156 19.797 0.069 1.00 0.00 C ATOM 578 CG GLN B 560 -5.982 20.032 -1.185 1.00 0.00 C ATOM 579 CD GLN B 560 -7.404 20.456 -0.876 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.646 21.229 0.051 1.00 0.00 O ATOM 581 NE2 GLN B 560 -8.355 19.952 -1.654 1.00 0.00 N ATOM 0 H GLN B 560 -5.583 17.368 -0.009 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.517 18.983 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.814 19.457 0.869 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.724 20.744 0.392 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.502 20.799 -1.793 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -6.000 19.119 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -8.110 19.314 -2.411 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -9.331 20.203 -1.494 1.00 0.00 H new ATOM 590 N MET B 561 -3.530 18.875 2.250 1.00 0.00 N ATOM 591 CA MET B 561 -2.675 18.977 3.427 1.00 0.00 C ATOM 592 C MET B 561 -1.583 17.912 3.399 1.00 0.00 C ATOM 593 O MET B 561 -0.394 18.225 3.478 1.00 0.00 O ATOM 594 CB MET B 561 -3.507 18.837 4.703 1.00 0.00 C ATOM 595 CG MET B 561 -4.653 19.832 4.792 1.00 0.00 C ATOM 596 SD MET B 561 -5.764 19.490 6.171 1.00 0.00 S ATOM 597 CE MET B 561 -6.402 17.884 5.700 1.00 0.00 C ATOM 0 H MET B 561 -4.525 18.792 2.458 1.00 0.00 H new ATOM 0 HA MET B 561 -2.202 19.959 3.417 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.910 17.825 4.756 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.856 18.966 5.568 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.248 20.838 4.898 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.219 19.813 3.861 1.00 0.00 H new ATOM 0 HE1 MET B 561 -7.460 17.971 5.453 1.00 0.00 H new ATOM 0 HE2 MET B 561 -5.856 17.516 4.832 1.00 0.00 H new ATOM 0 HE3 MET B 561 -6.279 17.186 6.528 1.00 0.00 H new ATOM 607 N LEU B 562 -1.993 16.653 3.287 1.00 0.00 N ATOM 608 CA LEU B 562 -1.049 15.541 3.250 1.00 0.00 C ATOM 609 C LEU B 562 0.035 15.783 2.205 1.00 0.00 C ATOM 610 O LEU B 562 1.221 15.841 2.528 1.00 0.00 O ATOM 611 CB LEU B 562 -1.783 14.234 2.947 1.00 0.00 C ATOM 612 CG LEU B 562 -0.941 12.959 3.019 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.757 11.814 3.599 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.407 12.593 1.642 1.00 0.00 C ATOM 0 H LEU B 562 -2.973 16.377 3.220 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.575 15.466 4.228 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.614 14.137 3.646 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.213 14.305 1.948 1.00 0.00 H new ATOM 0 HG LEU B 562 -0.092 13.143 3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -1.142 10.915 3.643 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -2.089 12.076 4.604 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.625 11.629 2.967 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.190 11.684 1.713 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -1.241 12.427 0.960 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.214 13.406 1.265 1.00 0.00 H new ATOM 626 N GLY B 563 -0.380 15.925 0.950 1.00 0.00 N ATOM 627 CA GLY B 563 0.568 16.162 -0.123 1.00 0.00 C ATOM 628 C GLY B 563 1.475 17.345 0.154 1.00 0.00 C ATOM 629 O GLY B 563 2.686 17.266 -0.047 1.00 0.00 O ATOM 0 H GLY B 563 -1.356 15.880 0.657 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.176 15.269 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.025 16.335 -1.052 1.00 0.00 H new ATOM 633 N GLU B 564 0.886 18.444 0.615 1.00 0.00 N ATOM 634 CA GLU B 564 1.650 19.649 0.917 1.00 0.00 C ATOM 635 C GLU B 564 2.750 19.355 1.934 1.00 0.00 C ATOM 636 O GLU B 564 3.902 19.749 1.748 1.00 0.00 O ATOM 637 CB GLU B 564 0.725 20.744 1.452 1.00 0.00 C ATOM 638 CG GLU B 564 -0.190 21.338 0.395 1.00 0.00 C ATOM 639 CD GLU B 564 -1.526 21.779 0.961 1.00 0.00 C ATOM 640 OE1 GLU B 564 -1.579 22.120 2.161 1.00 0.00 O ATOM 641 OE2 GLU B 564 -2.519 21.781 0.203 1.00 0.00 O ATOM 0 H GLU B 564 -0.116 18.525 0.787 1.00 0.00 H new ATOM 0 HA GLU B 564 2.115 19.995 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.117 20.332 2.257 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.331 21.540 1.885 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.303 22.192 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.358 20.601 -0.391 1.00 0.00 H new ATOM 648 N ARG B 565 2.386 18.662 3.007 1.00 0.00 N ATOM 649 CA ARG B 565 3.340 18.317 4.054 1.00 0.00 C ATOM 650 C ARG B 565 4.321 17.254 3.567 1.00 0.00 C ATOM 651 O ARG B 565 5.450 17.168 4.050 1.00 0.00 O ATOM 652 CB ARG B 565 2.606 17.816 5.299 1.00 0.00 C ATOM 653 CG ARG B 565 1.601 18.811 5.855 1.00 0.00 C ATOM 654 CD ARG B 565 2.158 19.551 7.061 1.00 0.00 C ATOM 655 NE ARG B 565 2.718 20.850 6.695 1.00 0.00 N ATOM 656 CZ ARG B 565 3.359 21.640 7.549 1.00 0.00 C ATOM 657 NH1 ARG B 565 3.520 21.266 8.811 1.00 0.00 N ATOM 658 NH2 ARG B 565 3.840 22.807 7.141 1.00 0.00 N ATOM 0 H ARG B 565 1.437 18.328 3.175 1.00 0.00 H new ATOM 0 HA ARG B 565 3.901 19.216 4.309 1.00 0.00 H new ATOM 0 HB2 ARG B 565 2.089 16.887 5.057 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.338 17.581 6.072 1.00 0.00 H new ATOM 0 HG2 ARG B 565 1.330 19.528 5.080 1.00 0.00 H new ATOM 0 HG3 ARG B 565 0.688 18.288 6.138 1.00 0.00 H new ATOM 0 HD2 ARG B 565 1.367 19.692 7.797 1.00 0.00 H new ATOM 0 HD3 ARG B 565 2.930 18.944 7.534 1.00 0.00 H new ATOM 0 HE ARG B 565 2.611 21.167 5.732 1.00 0.00 H new ATOM 0 HH11 ARG B 565 3.151 20.369 9.128 1.00 0.00 H new ATOM 0 HH12 ARG B 565 4.013 21.875 9.464 1.00 0.00 H new ATOM 0 HH21 ARG B 565 3.718 23.098 6.171 1.00 0.00 H new ATOM 0 HH22 ARG B 565 4.332 23.413 7.797 1.00 0.00 H new ATOM 672 N LEU B 566 3.882 16.447 2.607 1.00 0.00 N ATOM 673 CA LEU B 566 4.720 15.389 2.054 1.00 0.00 C ATOM 674 C LEU B 566 5.770 15.964 1.109 1.00 0.00 C ATOM 675 O LEU B 566 6.844 15.388 0.932 1.00 0.00 O ATOM 676 CB LEU B 566 3.859 14.363 1.315 1.00 0.00 C ATOM 677 CG LEU B 566 3.780 12.973 1.948 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.987 13.021 3.244 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.159 11.980 0.976 1.00 0.00 C ATOM 0 H LEU B 566 2.950 16.505 2.196 1.00 0.00 H new ATOM 0 HA LEU B 566 5.233 14.896 2.880 1.00 0.00 H new ATOM 0 HB2 LEU B 566 2.847 14.760 1.231 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.245 14.257 0.301 1.00 0.00 H new ATOM 0 HG LEU B 566 4.792 12.641 2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.941 12.023 3.680 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.474 13.701 3.943 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.976 13.374 3.039 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.110 10.996 1.443 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.153 12.308 0.714 1.00 0.00 H new ATOM 0 HD23 LEU B 566 3.768 11.924 0.074 1.00 0.00 H new ATOM 691 N PHE B 567 5.454 17.105 0.506 1.00 0.00 N ATOM 692 CA PHE B 567 6.370 17.760 -0.421 1.00 0.00 C ATOM 693 C PHE B 567 7.766 17.874 0.185 1.00 0.00 C ATOM 694 O PHE B 567 8.751 17.381 -0.364 1.00 0.00 O ATOM 695 CB PHE B 567 5.848 19.149 -0.793 1.00 0.00 C ATOM 696 CG PHE B 567 5.796 19.393 -2.274 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.834 18.981 -3.094 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.710 20.036 -2.846 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.790 19.204 -4.457 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.660 20.261 -4.208 1.00 0.00 C ATOM 701 CZ PHE B 567 5.701 19.846 -5.015 1.00 0.00 C ATOM 0 H PHE B 567 4.570 17.596 0.643 1.00 0.00 H new ATOM 0 HA PHE B 567 6.432 17.151 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.849 19.276 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.485 19.903 -0.331 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.688 18.480 -2.663 1.00 0.00 H new ATOM 0 HD2 PHE B 567 3.894 20.365 -2.220 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.605 18.877 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.807 20.761 -4.642 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.664 20.023 -6.080 1.00 0.00 H new ATOM 711 N PRO B 568 7.854 18.542 1.345 1.00 0.00 N ATOM 712 CA PRO B 568 9.123 18.738 2.052 1.00 0.00 C ATOM 713 C PRO B 568 9.663 17.440 2.644 1.00 0.00 C ATOM 714 O PRO B 568 10.871 17.199 2.638 1.00 0.00 O ATOM 715 CB PRO B 568 8.761 19.724 3.165 1.00 0.00 C ATOM 716 CG PRO B 568 7.304 19.517 3.395 1.00 0.00 C ATOM 717 CD PRO B 568 6.721 19.156 2.057 1.00 0.00 C ATOM 0 HA PRO B 568 9.909 19.096 1.387 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.336 19.528 4.070 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.973 20.751 2.868 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.133 18.723 4.122 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.840 20.419 3.792 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.886 18.463 2.157 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.345 20.034 1.532 1.00 0.00 H new ATOM 725 N LEU B 569 8.762 16.608 3.154 1.00 0.00 N ATOM 726 CA LEU B 569 9.148 15.334 3.750 1.00 0.00 C ATOM 727 C LEU B 569 10.031 14.533 2.799 1.00 0.00 C ATOM 728 O LEU B 569 11.029 13.941 3.212 1.00 0.00 O ATOM 729 CB LEU B 569 7.905 14.522 4.116 1.00 0.00 C ATOM 730 CG LEU B 569 8.088 13.468 5.209 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.033 12.373 4.741 1.00 0.00 C ATOM 732 CD2 LEU B 569 8.606 14.111 6.487 1.00 0.00 C ATOM 0 H LEU B 569 7.759 16.793 3.167 1.00 0.00 H new ATOM 0 HA LEU B 569 9.717 15.543 4.656 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.125 15.214 4.433 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.543 14.024 3.216 1.00 0.00 H new ATOM 0 HG LEU B 569 7.118 13.017 5.419 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.151 11.632 5.532 1.00 0.00 H new ATOM 0 HD12 LEU B 569 8.622 11.893 3.852 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.004 12.808 4.503 1.00 0.00 H new ATOM 0 HD21 LEU B 569 8.730 13.347 7.254 1.00 0.00 H new ATOM 0 HD22 LEU B 569 9.566 14.588 6.291 1.00 0.00 H new ATOM 0 HD23 LEU B 569 7.893 14.859 6.833 1.00 0.00 H new ATOM 744 N ILE B 570 9.659 14.521 1.523 1.00 0.00 N ATOM 745 CA ILE B 570 10.419 13.796 0.513 1.00 0.00 C ATOM 746 C ILE B 570 11.699 14.540 0.148 1.00 0.00 C ATOM 747 O ILE B 570 12.722 13.925 -0.150 1.00 0.00 O ATOM 748 CB ILE B 570 9.587 13.571 -0.764 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.491 12.535 -0.509 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.485 13.130 -1.910 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.199 12.830 -1.237 1.00 0.00 C ATOM 0 H ILE B 570 8.836 15.005 1.165 1.00 0.00 H new ATOM 0 HA ILE B 570 10.675 12.829 0.945 1.00 0.00 H new ATOM 0 HB ILE B 570 9.113 14.512 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.853 11.553 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.292 12.485 0.561 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.883 12.975 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.232 13.900 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.985 12.199 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.468 12.054 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.813 13.798 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.383 12.851 -2.311 1.00 0.00 H new ATOM 763 N GLN B 571 11.634 15.867 0.177 1.00 0.00 N ATOM 764 CA GLN B 571 12.788 16.696 -0.150 1.00 0.00 C ATOM 765 C GLN B 571 13.966 16.372 0.763 1.00 0.00 C ATOM 766 O GLN B 571 15.115 16.671 0.439 1.00 0.00 O ATOM 767 CB GLN B 571 12.429 18.178 -0.032 1.00 0.00 C ATOM 768 CG GLN B 571 11.475 18.660 -1.113 1.00 0.00 C ATOM 769 CD GLN B 571 10.815 19.979 -0.762 1.00 0.00 C ATOM 770 OE1 GLN B 571 9.591 20.107 -0.812 1.00 0.00 O ATOM 771 NE2 GLN B 571 11.623 20.970 -0.404 1.00 0.00 N ATOM 0 H GLN B 571 10.794 16.391 0.424 1.00 0.00 H new ATOM 0 HA GLN B 571 13.078 16.481 -1.178 1.00 0.00 H new ATOM 0 HB2 GLN B 571 11.979 18.358 0.945 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.343 18.770 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.020 18.769 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.706 17.905 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN B 571 12.632 20.821 -0.376 1.00 0.00 H new ATOM 0 HE22 GLN B 571 11.235 21.880 -0.157 1.00 0.00 H new ATOM 780 N ALA B 572 13.672 15.760 1.905 1.00 0.00 N ATOM 781 CA ALA B 572 14.707 15.394 2.864 1.00 0.00 C ATOM 782 C ALA B 572 15.784 14.536 2.209 1.00 0.00 C ATOM 783 O ALA B 572 16.930 14.512 2.658 1.00 0.00 O ATOM 784 CB ALA B 572 14.094 14.661 4.049 1.00 0.00 C ATOM 0 H ALA B 572 12.725 15.507 2.189 1.00 0.00 H new ATOM 0 HA ALA B 572 15.177 16.311 3.221 1.00 0.00 H new ATOM 0 HB1 ALA B 572 14.879 14.394 4.757 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.367 15.308 4.540 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.597 13.756 3.700 1.00 0.00 H new ATOM 790 N MET B 573 15.409 13.833 1.146 1.00 0.00 N ATOM 791 CA MET B 573 16.344 12.974 0.429 1.00 0.00 C ATOM 792 C MET B 573 16.356 13.307 -1.060 1.00 0.00 C ATOM 793 O MET B 573 17.414 13.344 -1.689 1.00 0.00 O ATOM 794 CB MET B 573 15.977 11.503 0.631 1.00 0.00 C ATOM 795 CG MET B 573 14.481 11.262 0.761 1.00 0.00 C ATOM 796 SD MET B 573 13.936 11.185 2.478 1.00 0.00 S ATOM 797 CE MET B 573 12.173 10.958 2.263 1.00 0.00 C ATOM 0 H MET B 573 14.464 13.841 0.762 1.00 0.00 H new ATOM 0 HA MET B 573 17.342 13.150 0.831 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.358 10.923 -0.209 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.476 11.132 1.527 1.00 0.00 H new ATOM 0 HG2 MET B 573 13.943 12.059 0.249 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.222 10.329 0.260 1.00 0.00 H new ATOM 0 HE1 MET B 573 11.636 11.579 2.980 1.00 0.00 H new ATOM 0 HE2 MET B 573 11.890 11.245 1.250 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.918 9.911 2.428 1.00 0.00 H new ATOM 807 N HIS B 574 15.174 13.548 -1.617 1.00 0.00 N ATOM 808 CA HIS B 574 15.049 13.878 -3.033 1.00 0.00 C ATOM 809 C HIS B 574 14.362 15.228 -3.217 1.00 0.00 C ATOM 810 O HIS B 574 13.195 15.310 -3.600 1.00 0.00 O ATOM 811 CB HIS B 574 14.265 12.789 -3.765 1.00 0.00 C ATOM 812 CG HIS B 574 15.122 11.668 -4.268 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.763 11.700 -5.489 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.445 10.480 -3.706 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.440 10.579 -5.657 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.265 9.821 -4.590 1.00 0.00 N ATOM 0 H HIS B 574 14.289 13.521 -1.110 1.00 0.00 H new ATOM 0 HA HIS B 574 16.051 13.940 -3.457 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.509 12.384 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.736 13.237 -4.607 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.119 10.117 -2.742 1.00 0.00 H new ATOM 0 HE1 HIS B 574 17.036 10.325 -6.521 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.672 8.897 -4.446 1.00 0.00 H new ATOM 824 N PRO B 575 15.102 16.312 -2.939 1.00 0.00 N ATOM 825 CA PRO B 575 14.584 17.677 -3.067 1.00 0.00 C ATOM 826 C PRO B 575 14.364 18.080 -4.521 1.00 0.00 C ATOM 827 O PRO B 575 13.809 19.142 -4.805 1.00 0.00 O ATOM 828 CB PRO B 575 15.684 18.534 -2.435 1.00 0.00 C ATOM 829 CG PRO B 575 16.926 17.726 -2.584 1.00 0.00 C ATOM 830 CD PRO B 575 16.500 16.288 -2.478 1.00 0.00 C ATOM 0 HA PRO B 575 13.610 17.790 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.775 19.496 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.470 18.742 -1.387 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.406 17.921 -3.543 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.650 17.977 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.117 15.639 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.580 15.920 -1.455 1.00 0.00 H new ATOM 838 N THR B 576 14.802 17.225 -5.440 1.00 0.00 N ATOM 839 CA THR B 576 14.654 17.492 -6.865 1.00 0.00 C ATOM 840 C THR B 576 13.400 16.828 -7.421 1.00 0.00 C ATOM 841 O THR B 576 12.561 17.483 -8.041 1.00 0.00 O ATOM 842 CB THR B 576 15.878 16.999 -7.659 1.00 0.00 C ATOM 843 OG1 THR B 576 16.320 15.737 -7.145 1.00 0.00 O ATOM 844 CG2 THR B 576 17.014 18.008 -7.585 1.00 0.00 C ATOM 0 H THR B 576 15.262 16.341 -5.222 1.00 0.00 H new ATOM 0 HA THR B 576 14.569 18.573 -6.977 1.00 0.00 H new ATOM 0 HB THR B 576 15.584 16.883 -8.702 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.097 15.430 -7.656 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.867 17.638 -8.153 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.684 18.959 -8.004 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.306 18.152 -6.545 1.00 0.00 H new ATOM 852 N LEU B 577 13.277 15.524 -7.196 1.00 0.00 N ATOM 853 CA LEU B 577 12.123 14.771 -7.675 1.00 0.00 C ATOM 854 C LEU B 577 11.011 14.757 -6.631 1.00 0.00 C ATOM 855 O LEU B 577 10.049 13.998 -6.745 1.00 0.00 O ATOM 856 CB LEU B 577 12.533 13.338 -8.019 1.00 0.00 C ATOM 857 CG LEU B 577 13.540 13.183 -9.159 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.140 14.047 -10.346 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.941 13.541 -8.685 1.00 0.00 C ATOM 0 H LEU B 577 13.962 14.967 -6.685 1.00 0.00 H new ATOM 0 HA LEU B 577 11.747 15.261 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU B 577 12.953 12.877 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.635 12.776 -8.275 1.00 0.00 H new ATOM 0 HG LEU B 577 13.541 12.141 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.868 13.924 -11.148 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.155 13.744 -10.701 1.00 0.00 H new ATOM 0 HD13 LEU B 577 13.110 15.093 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.645 13.425 -9.509 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.955 14.574 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.228 12.880 -7.867 1.00 0.00 H new ATOM 871 N ALA B 578 11.149 15.602 -5.615 1.00 0.00 N ATOM 872 CA ALA B 578 10.154 15.690 -4.553 1.00 0.00 C ATOM 873 C ALA B 578 8.753 15.871 -5.128 1.00 0.00 C ATOM 874 O ALA B 578 7.773 15.387 -4.563 1.00 0.00 O ATOM 875 CB ALA B 578 10.491 16.834 -3.608 1.00 0.00 C ATOM 0 H ALA B 578 11.941 16.236 -5.505 1.00 0.00 H new ATOM 0 HA ALA B 578 10.171 14.755 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.740 16.888 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.471 16.662 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.503 17.772 -4.163 1.00 0.00 H new ATOM 881 N GLY B 579 8.666 16.572 -6.254 1.00 0.00 N ATOM 882 CA GLY B 579 7.380 16.805 -6.886 1.00 0.00 C ATOM 883 C GLY B 579 6.747 15.527 -7.400 1.00 0.00 C ATOM 884 O GLY B 579 5.642 15.167 -6.995 1.00 0.00 O ATOM 0 H GLY B 579 9.463 16.983 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.707 17.278 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.506 17.503 -7.714 1.00 0.00 H new ATOM 888 N LYS B 580 7.448 14.841 -8.296 1.00 0.00 N ATOM 889 CA LYS B 580 6.948 13.596 -8.868 1.00 0.00 C ATOM 890 C LYS B 580 6.764 12.536 -7.787 1.00 0.00 C ATOM 891 O LYS B 580 5.788 11.785 -7.801 1.00 0.00 O ATOM 892 CB LYS B 580 7.909 13.083 -9.943 1.00 0.00 C ATOM 893 CG LYS B 580 7.826 13.850 -11.251 1.00 0.00 C ATOM 894 CD LYS B 580 8.307 13.010 -12.422 1.00 0.00 C ATOM 895 CE LYS B 580 8.212 13.776 -13.733 1.00 0.00 C ATOM 896 NZ LYS B 580 6.876 14.409 -13.910 1.00 0.00 N ATOM 0 H LYS B 580 8.364 15.126 -8.642 1.00 0.00 H new ATOM 0 HA LYS B 580 5.978 13.797 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS B 580 8.929 13.139 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.698 12.031 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS B 580 6.797 14.163 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS B 580 8.427 14.756 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS B 580 9.339 12.704 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS B 580 7.711 12.100 -12.487 1.00 0.00 H new ATOM 0 HE2 LYS B 580 8.985 14.544 -13.761 1.00 0.00 H new ATOM 0 HE3 LYS B 580 8.406 13.098 -14.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 6.771 14.730 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 6.132 13.716 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 6.790 15.224 -13.269 1.00 0.00 H new ATOM 910 N ILE B 581 7.707 12.482 -6.852 1.00 0.00 N ATOM 911 CA ILE B 581 7.646 11.515 -5.762 1.00 0.00 C ATOM 912 C ILE B 581 6.364 11.678 -4.954 1.00 0.00 C ATOM 913 O ILE B 581 5.538 10.766 -4.886 1.00 0.00 O ATOM 914 CB ILE B 581 8.856 11.653 -4.819 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.151 11.324 -5.564 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.689 10.748 -3.608 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.389 11.884 -4.899 1.00 0.00 C ATOM 0 H ILE B 581 8.521 13.096 -6.827 1.00 0.00 H new ATOM 0 HA ILE B 581 7.662 10.525 -6.217 1.00 0.00 H new ATOM 0 HB ILE B 581 8.912 12.685 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.250 10.241 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.086 11.714 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.552 10.857 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.784 11.026 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.611 9.712 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.269 11.612 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.312 12.970 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.479 11.474 -3.893 1.00 0.00 H new ATOM 929 N THR B 582 6.201 12.847 -4.341 1.00 0.00 N ATOM 930 CA THR B 582 5.019 13.131 -3.538 1.00 0.00 C ATOM 931 C THR B 582 3.744 12.960 -4.355 1.00 0.00 C ATOM 932 O THR B 582 2.711 12.542 -3.833 1.00 0.00 O ATOM 933 CB THR B 582 5.059 14.560 -2.964 1.00 0.00 C ATOM 934 OG1 THR B 582 4.087 14.697 -1.922 1.00 0.00 O ATOM 935 CG2 THR B 582 4.792 15.588 -4.052 1.00 0.00 C ATOM 0 H THR B 582 6.874 13.612 -4.386 1.00 0.00 H new ATOM 0 HA THR B 582 5.018 12.416 -2.715 1.00 0.00 H new ATOM 0 HB THR B 582 6.055 14.736 -2.557 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.120 15.608 -1.562 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.825 16.589 -3.623 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.551 15.501 -4.829 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.808 15.412 -4.485 1.00 0.00 H new ATOM 943 N GLY B 583 3.823 13.286 -5.642 1.00 0.00 N ATOM 944 CA GLY B 583 2.668 13.161 -6.512 1.00 0.00 C ATOM 945 C GLY B 583 2.152 11.737 -6.589 1.00 0.00 C ATOM 946 O GLY B 583 1.001 11.468 -6.245 1.00 0.00 O ATOM 0 H GLY B 583 4.667 13.634 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.873 13.813 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.932 13.503 -7.513 1.00 0.00 H new ATOM 950 N MET B 584 3.004 10.824 -7.043 1.00 0.00 N ATOM 951 CA MET B 584 2.626 9.421 -7.165 1.00 0.00 C ATOM 952 C MET B 584 2.351 8.811 -5.794 1.00 0.00 C ATOM 953 O MET B 584 1.354 8.113 -5.603 1.00 0.00 O ATOM 954 CB MET B 584 3.730 8.634 -7.874 1.00 0.00 C ATOM 955 CG MET B 584 4.174 9.258 -9.187 1.00 0.00 C ATOM 956 SD MET B 584 5.699 8.533 -9.819 1.00 0.00 S ATOM 957 CE MET B 584 6.886 9.144 -8.625 1.00 0.00 C ATOM 0 H MET B 584 3.960 11.030 -7.332 1.00 0.00 H new ATOM 0 HA MET B 584 1.713 9.366 -7.757 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.591 8.553 -7.210 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.378 7.620 -8.064 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.384 9.137 -9.928 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.317 10.329 -9.046 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.802 8.557 -8.690 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.109 10.190 -8.836 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.470 9.057 -7.621 1.00 0.00 H new ATOM 967 N LEU B 585 3.240 9.078 -4.844 1.00 0.00 N ATOM 968 CA LEU B 585 3.093 8.556 -3.490 1.00 0.00 C ATOM 969 C LEU B 585 1.768 8.997 -2.876 1.00 0.00 C ATOM 970 O LEU B 585 1.197 8.300 -2.037 1.00 0.00 O ATOM 971 CB LEU B 585 4.255 9.023 -2.612 1.00 0.00 C ATOM 972 CG LEU B 585 5.477 8.105 -2.571 1.00 0.00 C ATOM 973 CD1 LEU B 585 6.064 7.935 -3.964 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.524 8.652 -1.612 1.00 0.00 C ATOM 0 H LEU B 585 4.070 9.653 -4.986 1.00 0.00 H new ATOM 0 HA LEU B 585 3.102 7.467 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.575 10.005 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.887 9.150 -1.594 1.00 0.00 H new ATOM 0 HG LEU B 585 5.160 7.126 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.933 7.279 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.315 7.497 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.366 8.908 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.386 7.985 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.837 9.643 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.100 8.720 -0.610 1.00 0.00 H new ATOM 986 N LEU B 586 1.283 10.158 -3.302 1.00 0.00 N ATOM 987 CA LEU B 586 0.023 10.693 -2.797 1.00 0.00 C ATOM 988 C LEU B 586 -1.163 10.094 -3.547 1.00 0.00 C ATOM 989 O LEU B 586 -2.293 10.121 -3.062 1.00 0.00 O ATOM 990 CB LEU B 586 0.005 12.217 -2.925 1.00 0.00 C ATOM 991 CG LEU B 586 -1.366 12.884 -2.807 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.248 14.223 -2.095 1.00 0.00 C ATOM 993 CD2 LEU B 586 -1.992 13.062 -4.182 1.00 0.00 C ATOM 0 H LEU B 586 1.743 10.747 -3.996 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.062 10.422 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.657 12.634 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.436 12.486 -3.889 1.00 0.00 H new ATOM 0 HG LEU B 586 -2.014 12.237 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.233 14.683 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.842 14.069 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.584 14.878 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -2.967 13.538 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.346 13.688 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.112 12.088 -4.656 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.895 9.551 -4.731 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.940 8.944 -5.546 1.00 0.00 C ATOM 1007 C GLU B 587 -2.310 7.562 -5.016 1.00 0.00 C ATOM 1008 O GLU B 587 -3.475 7.287 -4.730 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.484 8.839 -7.003 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.613 8.535 -7.973 1.00 0.00 C ATOM 1011 CD GLU B 587 -3.373 9.778 -8.392 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -3.266 10.805 -7.690 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -4.076 9.724 -9.423 1.00 0.00 O ATOM 0 H GLU B 587 0.036 9.519 -5.146 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.823 9.582 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -1.008 9.775 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.727 8.058 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -2.205 8.048 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -3.304 7.830 -7.511 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.310 6.697 -4.889 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.529 5.344 -4.393 1.00 0.00 C ATOM 1022 C ILE B 588 -2.651 5.312 -3.361 1.00 0.00 C ATOM 1023 O ILE B 588 -3.673 4.655 -3.559 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.251 4.760 -3.763 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.665 5.887 -3.280 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.475 3.873 -4.763 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.774 5.413 -2.366 1.00 0.00 C ATOM 0 H ILE B 588 -0.340 6.909 -5.123 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.811 4.735 -5.252 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.532 4.151 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.105 6.383 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.066 6.632 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.376 3.468 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.178 3.054 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.748 4.461 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.384 6.264 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.342 4.943 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.396 4.690 -2.894 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.454 6.027 -2.259 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.450 6.084 -1.196 1.00 0.00 C ATOM 1041 C ASP B 589 -2.922 6.866 0.003 1.00 0.00 C ATOM 1042 O ASP B 589 -2.076 6.379 0.751 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.847 4.671 -0.764 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.293 4.351 -1.090 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.189 4.922 -0.435 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.528 3.528 -1.999 1.00 0.00 O ATOM 0 H ASP B 589 -1.613 6.575 -2.079 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.330 6.598 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.198 3.948 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.687 4.564 0.309 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.427 8.083 0.178 1.00 0.00 N ATOM 1052 CA ASN B 590 -3.005 8.934 1.284 1.00 0.00 C ATOM 1053 C ASN B 590 -3.125 8.197 2.614 1.00 0.00 C ATOM 1054 O ASN B 590 -2.257 8.309 3.479 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.843 10.214 1.320 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.466 11.183 0.216 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.297 11.297 -0.152 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.457 11.888 -0.316 1.00 0.00 N ATOM 0 H ASN B 590 -4.129 8.502 -0.432 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.959 9.197 1.128 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.898 9.957 1.229 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.716 10.701 2.287 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.264 12.557 -1.061 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.411 11.761 0.021 1.00 0.00 H new ATOM 1065 N SER B 591 -4.208 7.442 2.770 1.00 0.00 N ATOM 1066 CA SER B 591 -4.445 6.688 3.996 1.00 0.00 C ATOM 1067 C SER B 591 -3.264 5.773 4.307 1.00 0.00 C ATOM 1068 O SER B 591 -2.875 5.617 5.464 1.00 0.00 O ATOM 1069 CB SER B 591 -5.726 5.861 3.872 1.00 0.00 C ATOM 1070 OG SER B 591 -6.284 5.592 5.146 1.00 0.00 O ATOM 0 H SER B 591 -4.935 7.336 2.063 1.00 0.00 H new ATOM 0 HA SER B 591 -4.558 7.399 4.815 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.451 6.397 3.260 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.509 4.923 3.361 1.00 0.00 H new ATOM 0 HG SER B 591 -7.103 5.064 5.040 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.699 5.171 3.265 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.564 4.271 3.427 1.00 0.00 C ATOM 1078 C GLU B 592 -0.322 5.037 3.877 1.00 0.00 C ATOM 1079 O GLU B 592 0.502 4.518 4.631 1.00 0.00 O ATOM 1080 CB GLU B 592 -1.275 3.536 2.117 1.00 0.00 C ATOM 1081 CG GLU B 592 -0.215 2.456 2.245 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.460 1.284 1.314 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -0.800 1.524 0.136 1.00 0.00 O ATOM 1084 OE2 GLU B 592 -0.311 0.128 1.762 1.00 0.00 O ATOM 0 H GLU B 592 -3.009 5.290 2.301 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.819 3.542 4.196 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -2.198 3.086 1.752 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.955 4.260 1.367 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.764 2.886 2.032 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -0.189 2.098 3.274 1.00 0.00 H new ATOM 1091 N LEU B 593 -0.196 6.273 3.409 1.00 0.00 N ATOM 1092 CA LEU B 593 0.945 7.112 3.762 1.00 0.00 C ATOM 1093 C LEU B 593 0.856 7.568 5.215 1.00 0.00 C ATOM 1094 O LEU B 593 1.871 7.679 5.905 1.00 0.00 O ATOM 1095 CB LEU B 593 1.014 8.328 2.837 1.00 0.00 C ATOM 1096 CG LEU B 593 0.527 8.111 1.404 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.692 9.381 0.585 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.275 6.955 0.756 1.00 0.00 C ATOM 0 H LEU B 593 -0.869 6.717 2.784 1.00 0.00 H new ATOM 0 HA LEU B 593 1.852 6.520 3.641 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.426 9.131 3.281 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.047 8.673 2.800 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.533 7.860 1.436 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.340 9.207 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.110 10.184 1.038 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.744 9.664 0.561 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.915 6.815 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.342 7.177 0.737 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.104 6.044 1.329 1.00 0.00 H new ATOM 1110 N LEU B 594 -0.363 7.829 5.675 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.584 8.270 7.047 1.00 0.00 C ATOM 1112 C LEU B 594 -0.146 7.200 8.041 1.00 0.00 C ATOM 1113 O LEU B 594 0.037 7.477 9.227 1.00 0.00 O ATOM 1114 CB LEU B 594 -2.060 8.609 7.263 1.00 0.00 C ATOM 1115 CG LEU B 594 -2.549 9.913 6.633 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -4.038 10.099 6.878 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.765 11.097 7.181 1.00 0.00 C ATOM 0 H LEU B 594 -1.213 7.743 5.118 1.00 0.00 H new ATOM 0 HA LEU B 594 0.017 9.164 7.216 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.662 7.790 6.868 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -2.248 8.654 8.336 1.00 0.00 H new ATOM 0 HG LEU B 594 -2.383 9.859 5.557 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -4.368 11.033 6.422 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.586 9.266 6.437 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -4.229 10.132 7.951 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -2.127 12.017 6.721 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.899 11.154 8.261 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.707 10.969 6.953 1.00 0.00 H new ATOM 1129 N HIS B 595 0.024 5.977 7.550 1.00 0.00 N ATOM 1130 CA HIS B 595 0.445 4.865 8.395 1.00 0.00 C ATOM 1131 C HIS B 595 1.779 4.297 7.921 1.00 0.00 C ATOM 1132 O HIS B 595 2.412 3.507 8.621 1.00 0.00 O ATOM 1133 CB HIS B 595 -0.619 3.766 8.395 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.811 3.119 9.732 1.00 0.00 C ATOM 1135 ND1 HIS B 595 -2.009 3.139 10.413 1.00 0.00 N ATOM 1136 CD2 HIS B 595 0.052 2.428 10.513 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -1.875 2.490 11.556 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.633 2.048 11.641 1.00 0.00 N ATOM 0 H HIS B 595 -0.123 5.731 6.571 1.00 0.00 H new ATOM 0 HA HIS B 595 0.570 5.240 9.411 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -1.568 4.190 8.066 1.00 0.00 H new ATOM 0 HB3 HIS B 595 -0.342 3.003 7.668 1.00 0.00 H new ATOM 0 HD2 HIS B 595 1.087 2.215 10.290 1.00 0.00 H new ATOM 0 HE1 HIS B 595 -2.649 2.345 12.295 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -0.246 1.512 12.418 1.00 0.00 H new ATOM 1146 N MET B 596 2.200 4.705 6.728 1.00 0.00 N ATOM 1147 CA MET B 596 3.460 4.236 6.162 1.00 0.00 C ATOM 1148 C MET B 596 4.618 5.127 6.601 1.00 0.00 C ATOM 1149 O MET B 596 5.774 4.701 6.609 1.00 0.00 O ATOM 1150 CB MET B 596 3.376 4.204 4.635 1.00 0.00 C ATOM 1151 CG MET B 596 4.659 3.737 3.966 1.00 0.00 C ATOM 1152 SD MET B 596 5.354 4.976 2.855 1.00 0.00 S ATOM 1153 CE MET B 596 3.937 5.334 1.819 1.00 0.00 C ATOM 0 H MET B 596 1.688 5.358 6.135 1.00 0.00 H new ATOM 0 HA MET B 596 3.642 3.226 6.530 1.00 0.00 H new ATOM 0 HB2 MET B 596 2.560 3.545 4.338 1.00 0.00 H new ATOM 0 HB3 MET B 596 3.129 5.201 4.272 1.00 0.00 H new ATOM 0 HG2 MET B 596 5.394 3.488 4.732 1.00 0.00 H new ATOM 0 HG3 MET B 596 4.460 2.823 3.406 1.00 0.00 H new ATOM 0 HE1 MET B 596 4.275 5.758 0.874 1.00 0.00 H new ATOM 0 HE2 MET B 596 3.385 4.414 1.627 1.00 0.00 H new ATOM 0 HE3 MET B 596 3.287 6.048 2.325 1.00 0.00 H new ATOM 1163 N LEU B 597 4.301 6.365 6.965 1.00 0.00 N ATOM 1164 CA LEU B 597 5.316 7.316 7.405 1.00 0.00 C ATOM 1165 C LEU B 597 5.887 6.915 8.761 1.00 0.00 C ATOM 1166 O LEU B 597 6.840 7.522 9.248 1.00 0.00 O ATOM 1167 CB LEU B 597 4.722 8.724 7.485 1.00 0.00 C ATOM 1168 CG LEU B 597 3.876 9.026 8.722 1.00 0.00 C ATOM 1169 CD1 LEU B 597 2.875 7.909 8.970 1.00 0.00 C ATOM 1170 CD2 LEU B 597 4.766 9.228 9.940 1.00 0.00 C ATOM 0 H LEU B 597 3.350 6.733 6.964 1.00 0.00 H new ATOM 0 HA LEU B 597 6.125 7.310 6.675 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.539 9.444 7.444 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.107 8.888 6.600 1.00 0.00 H new ATOM 0 HG LEU B 597 3.323 9.948 8.544 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.282 8.142 9.854 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.217 7.812 8.107 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.408 6.971 9.127 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.147 9.442 10.811 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.346 8.323 10.121 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.443 10.064 9.762 1.00 0.00 H new ATOM 1182 N GLU B 598 5.298 5.887 9.365 1.00 0.00 N ATOM 1183 CA GLU B 598 5.749 5.404 10.665 1.00 0.00 C ATOM 1184 C GLU B 598 6.836 4.345 10.504 1.00 0.00 C ATOM 1185 O GLU B 598 7.232 3.695 11.471 1.00 0.00 O ATOM 1186 CB GLU B 598 4.574 4.828 11.456 1.00 0.00 C ATOM 1187 CG GLU B 598 3.310 5.668 11.368 1.00 0.00 C ATOM 1188 CD GLU B 598 2.290 5.301 12.428 1.00 0.00 C ATOM 1189 OE1 GLU B 598 1.738 4.184 12.359 1.00 0.00 O ATOM 1190 OE2 GLU B 598 2.045 6.132 13.328 1.00 0.00 O ATOM 0 H GLU B 598 4.508 5.373 8.975 1.00 0.00 H new ATOM 0 HA GLU B 598 6.166 6.249 11.213 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.359 3.824 11.091 1.00 0.00 H new ATOM 0 HB3 GLU B 598 4.864 4.732 12.502 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.571 6.721 11.469 1.00 0.00 H new ATOM 0 HG3 GLU B 598 2.864 5.544 10.381 1.00 0.00 H new ATOM 1197 N SER B 599 7.314 4.178 9.275 1.00 0.00 N ATOM 1198 CA SER B 599 8.352 3.196 8.986 1.00 0.00 C ATOM 1199 C SER B 599 9.443 3.800 8.107 1.00 0.00 C ATOM 1200 O SER B 599 9.177 4.389 7.059 1.00 0.00 O ATOM 1201 CB SER B 599 7.747 1.971 8.296 1.00 0.00 C ATOM 1202 OG SER B 599 8.744 1.009 7.998 1.00 0.00 O ATOM 0 H SER B 599 6.999 4.710 8.464 1.00 0.00 H new ATOM 0 HA SER B 599 8.799 2.889 9.931 1.00 0.00 H new ATOM 0 HB2 SER B 599 6.988 1.525 8.939 1.00 0.00 H new ATOM 0 HB3 SER B 599 7.247 2.277 7.377 1.00 0.00 H new ATOM 0 HG SER B 599 8.632 0.697 7.076 1.00 0.00 H new ATOM 1208 N PRO B 600 10.703 3.653 8.544 1.00 0.00 N ATOM 1209 CA PRO B 600 11.860 4.177 7.813 1.00 0.00 C ATOM 1210 C PRO B 600 12.118 3.419 6.515 1.00 0.00 C ATOM 1211 O PRO B 600 12.303 4.024 5.459 1.00 0.00 O ATOM 1212 CB PRO B 600 13.020 3.971 8.791 1.00 0.00 C ATOM 1213 CG PRO B 600 12.587 2.841 9.659 1.00 0.00 C ATOM 1214 CD PRO B 600 11.094 2.963 9.785 1.00 0.00 C ATOM 0 HA PRO B 600 11.716 5.215 7.512 1.00 0.00 H new ATOM 0 HB2 PRO B 600 13.944 3.734 8.264 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.208 4.871 9.377 1.00 0.00 H new ATOM 0 HG2 PRO B 600 12.864 1.883 9.219 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.067 2.894 10.636 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.617 1.987 9.870 1.00 0.00 H new ATOM 0 HD3 PRO B 600 10.811 3.534 10.669 1.00 0.00 H new ATOM 1222 N GLU B 601 12.127 2.092 6.601 1.00 0.00 N ATOM 1223 CA GLU B 601 12.362 1.253 5.432 1.00 0.00 C ATOM 1224 C GLU B 601 11.245 1.424 4.407 1.00 0.00 C ATOM 1225 O GLU B 601 11.408 1.087 3.234 1.00 0.00 O ATOM 1226 CB GLU B 601 12.471 -0.216 5.845 1.00 0.00 C ATOM 1227 CG GLU B 601 13.046 -1.112 4.761 1.00 0.00 C ATOM 1228 CD GLU B 601 14.539 -0.919 4.577 1.00 0.00 C ATOM 1229 OE1 GLU B 601 15.317 -1.611 5.266 1.00 0.00 O ATOM 1230 OE2 GLU B 601 14.929 -0.076 3.741 1.00 0.00 O ATOM 0 H GLU B 601 11.974 1.576 7.467 1.00 0.00 H new ATOM 0 HA GLU B 601 13.301 1.565 4.975 1.00 0.00 H new ATOM 0 HB2 GLU B 601 13.097 -0.289 6.735 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.482 -0.582 6.120 1.00 0.00 H new ATOM 0 HG2 GLU B 601 12.846 -2.154 5.012 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.538 -0.908 3.818 1.00 0.00 H new ATOM 1237 N SER B 602 10.111 1.948 4.858 1.00 0.00 N ATOM 1238 CA SER B 602 8.964 2.160 3.982 1.00 0.00 C ATOM 1239 C SER B 602 9.082 3.491 3.245 1.00 0.00 C ATOM 1240 O SER B 602 9.007 3.543 2.017 1.00 0.00 O ATOM 1241 CB SER B 602 7.665 2.123 4.788 1.00 0.00 C ATOM 1242 OG SER B 602 7.556 0.918 5.526 1.00 0.00 O ATOM 0 H SER B 602 9.961 2.234 5.826 1.00 0.00 H new ATOM 0 HA SER B 602 8.948 1.357 3.245 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.631 2.974 5.468 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.813 2.219 4.115 1.00 0.00 H new ATOM 0 HG SER B 602 6.655 0.847 5.905 1.00 0.00 H new ATOM 1248 N LEU B 603 9.266 4.565 4.004 1.00 0.00 N ATOM 1249 CA LEU B 603 9.394 5.898 3.426 1.00 0.00 C ATOM 1250 C LEU B 603 10.462 5.919 2.337 1.00 0.00 C ATOM 1251 O LEU B 603 10.182 6.255 1.186 1.00 0.00 O ATOM 1252 CB LEU B 603 9.739 6.917 4.513 1.00 0.00 C ATOM 1253 CG LEU B 603 10.426 8.198 4.039 1.00 0.00 C ATOM 1254 CD1 LEU B 603 9.560 8.922 3.020 1.00 0.00 C ATOM 1255 CD2 LEU B 603 10.735 9.106 5.221 1.00 0.00 C ATOM 0 H LEU B 603 9.330 4.539 5.022 1.00 0.00 H new ATOM 0 HA LEU B 603 8.437 6.165 2.977 1.00 0.00 H new ATOM 0 HB2 LEU B 603 8.820 7.192 5.030 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.384 6.432 5.246 1.00 0.00 H new ATOM 0 HG LEU B 603 11.366 7.927 3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 603 10.065 9.831 2.694 1.00 0.00 H new ATOM 0 HD12 LEU B 603 9.390 8.273 2.161 1.00 0.00 H new ATOM 0 HD13 LEU B 603 8.604 9.181 3.474 1.00 0.00 H new ATOM 0 HD21 LEU B 603 11.224 10.013 4.865 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.808 9.369 5.730 1.00 0.00 H new ATOM 0 HD23 LEU B 603 11.395 8.587 5.916 1.00 0.00 H new ATOM 1267 N ARG B 604 11.685 5.555 2.707 1.00 0.00 N ATOM 1268 CA ARG B 604 12.794 5.530 1.762 1.00 0.00 C ATOM 1269 C ARG B 604 12.480 4.620 0.578 1.00 0.00 C ATOM 1270 O ARG B 604 12.781 4.950 -0.569 1.00 0.00 O ATOM 1271 CB ARG B 604 14.074 5.059 2.456 1.00 0.00 C ATOM 1272 CG ARG B 604 15.345 5.599 1.822 1.00 0.00 C ATOM 1273 CD ARG B 604 16.545 5.418 2.738 1.00 0.00 C ATOM 1274 NE ARG B 604 16.500 6.323 3.884 1.00 0.00 N ATOM 1275 CZ ARG B 604 17.318 6.229 4.927 1.00 0.00 C ATOM 1276 NH1 ARG B 604 18.239 5.276 4.968 1.00 0.00 N ATOM 1277 NH2 ARG B 604 17.215 7.090 5.931 1.00 0.00 N ATOM 0 H ARG B 604 11.933 5.273 3.655 1.00 0.00 H new ATOM 0 HA ARG B 604 12.943 6.543 1.389 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.043 5.363 3.502 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.105 3.970 2.441 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.527 5.088 0.877 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.217 6.657 1.593 1.00 0.00 H new ATOM 0 HD2 ARG B 604 16.579 4.387 3.091 1.00 0.00 H new ATOM 0 HD3 ARG B 604 17.461 5.592 2.174 1.00 0.00 H new ATOM 0 HE ARG B 604 15.803 7.067 3.883 1.00 0.00 H new ATOM 0 HH11 ARG B 604 18.321 4.613 4.198 1.00 0.00 H new ATOM 0 HH12 ARG B 604 18.865 5.206 5.770 1.00 0.00 H new ATOM 0 HH21 ARG B 604 16.508 7.824 5.903 1.00 0.00 H new ATOM 0 HH22 ARG B 604 17.843 7.018 6.731 1.00 0.00 H new ATOM 1291 N SER B 605 11.874 3.472 0.866 1.00 0.00 N ATOM 1292 CA SER B 605 11.523 2.512 -0.174 1.00 0.00 C ATOM 1293 C SER B 605 10.672 3.169 -1.256 1.00 0.00 C ATOM 1294 O SER B 605 10.990 3.098 -2.443 1.00 0.00 O ATOM 1295 CB SER B 605 10.772 1.324 0.431 1.00 0.00 C ATOM 1296 OG SER B 605 10.105 0.578 -0.572 1.00 0.00 O ATOM 0 H SER B 605 11.616 3.185 1.810 1.00 0.00 H new ATOM 0 HA SER B 605 12.446 2.155 -0.630 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.472 0.680 0.963 1.00 0.00 H new ATOM 0 HB3 SER B 605 10.049 1.682 1.164 1.00 0.00 H new ATOM 0 HG SER B 605 9.634 -0.176 -0.160 1.00 0.00 H new ATOM 1302 N LYS B 606 9.585 3.810 -0.836 1.00 0.00 N ATOM 1303 CA LYS B 606 8.686 4.482 -1.767 1.00 0.00 C ATOM 1304 C LYS B 606 9.424 5.560 -2.554 1.00 0.00 C ATOM 1305 O LYS B 606 9.405 5.567 -3.785 1.00 0.00 O ATOM 1306 CB LYS B 606 7.509 5.102 -1.011 1.00 0.00 C ATOM 1307 CG LYS B 606 6.550 4.077 -0.431 1.00 0.00 C ATOM 1308 CD LYS B 606 5.870 3.269 -1.523 1.00 0.00 C ATOM 1309 CE LYS B 606 5.017 4.152 -2.421 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.286 3.357 -3.447 1.00 0.00 N ATOM 0 H LYS B 606 9.306 3.878 0.143 1.00 0.00 H new ATOM 0 HA LYS B 606 8.308 3.739 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS B 606 7.894 5.724 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.960 5.759 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.092 3.406 0.235 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.796 4.583 0.172 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.624 2.759 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.246 2.497 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.302 4.705 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.651 4.888 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 3.925 3.993 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 4.932 2.662 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.490 2.860 -2.999 1.00 0.00 H new ATOM 1324 N VAL B 607 10.075 6.470 -1.835 1.00 0.00 N ATOM 1325 CA VAL B 607 10.822 7.551 -2.467 1.00 0.00 C ATOM 1326 C VAL B 607 11.778 7.014 -3.525 1.00 0.00 C ATOM 1327 O VAL B 607 11.777 7.472 -4.668 1.00 0.00 O ATOM 1328 CB VAL B 607 11.623 8.360 -1.430 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.455 9.433 -2.116 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.690 8.976 -0.398 1.00 0.00 C ATOM 0 H VAL B 607 10.100 6.480 -0.815 1.00 0.00 H new ATOM 0 HA VAL B 607 10.091 8.205 -2.942 1.00 0.00 H new ATOM 0 HB VAL B 607 12.302 7.682 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.014 9.994 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.151 8.964 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL B 607 11.797 10.110 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.273 9.544 0.327 1.00 0.00 H new ATOM 0 HG22 VAL B 607 9.984 9.640 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.143 8.185 0.116 1.00 0.00 H new ATOM 1340 N ASP B 608 12.594 6.039 -3.137 1.00 0.00 N ATOM 1341 CA ASP B 608 13.556 5.437 -4.054 1.00 0.00 C ATOM 1342 C ASP B 608 12.854 4.878 -5.288 1.00 0.00 C ATOM 1343 O ASP B 608 13.240 5.172 -6.418 1.00 0.00 O ATOM 1344 CB ASP B 608 14.337 4.327 -3.349 1.00 0.00 C ATOM 1345 CG ASP B 608 15.316 3.631 -4.275 1.00 0.00 C ATOM 1346 OD1 ASP B 608 16.036 4.334 -5.014 1.00 0.00 O ATOM 1347 OD2 ASP B 608 15.361 2.383 -4.259 1.00 0.00 O ATOM 0 H ASP B 608 12.608 5.649 -2.195 1.00 0.00 H new ATOM 0 HA ASP B 608 14.251 6.213 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.879 4.749 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.638 3.594 -2.946 1.00 0.00 H new ATOM 1352 N GLU B 609 11.823 4.070 -5.061 1.00 0.00 N ATOM 1353 CA GLU B 609 11.070 3.469 -6.155 1.00 0.00 C ATOM 1354 C GLU B 609 10.544 4.539 -7.107 1.00 0.00 C ATOM 1355 O GLU B 609 10.754 4.466 -8.317 1.00 0.00 O ATOM 1356 CB GLU B 609 9.905 2.641 -5.607 1.00 0.00 C ATOM 1357 CG GLU B 609 10.322 1.281 -5.075 1.00 0.00 C ATOM 1358 CD GLU B 609 11.017 0.433 -6.123 1.00 0.00 C ATOM 1359 OE1 GLU B 609 10.720 0.609 -7.323 1.00 0.00 O ATOM 1360 OE2 GLU B 609 11.859 -0.407 -5.742 1.00 0.00 O ATOM 0 H GLU B 609 11.491 3.817 -4.130 1.00 0.00 H new ATOM 0 HA GLU B 609 11.743 2.815 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.417 3.200 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.166 2.502 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU B 609 10.988 1.417 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.441 0.752 -4.710 1.00 0.00 H new ATOM 1367 N ALA B 610 9.860 5.533 -6.550 1.00 0.00 N ATOM 1368 CA ALA B 610 9.306 6.620 -7.348 1.00 0.00 C ATOM 1369 C ALA B 610 10.370 7.238 -8.248 1.00 0.00 C ATOM 1370 O ALA B 610 10.239 7.237 -9.472 1.00 0.00 O ATOM 1371 CB ALA B 610 8.695 7.681 -6.443 1.00 0.00 C ATOM 0 H ALA B 610 9.676 5.608 -5.549 1.00 0.00 H new ATOM 0 HA ALA B 610 8.524 6.208 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.285 8.487 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.899 7.236 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.463 8.081 -5.781 1.00 0.00 H new ATOM 1377 N VAL B 611 11.423 7.767 -7.634 1.00 0.00 N ATOM 1378 CA VAL B 611 12.510 8.389 -8.381 1.00 0.00 C ATOM 1379 C VAL B 611 13.005 7.474 -9.495 1.00 0.00 C ATOM 1380 O VAL B 611 13.247 7.920 -10.617 1.00 0.00 O ATOM 1381 CB VAL B 611 13.693 8.744 -7.459 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.765 9.497 -8.232 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.213 9.557 -6.267 1.00 0.00 C ATOM 0 H VAL B 611 11.547 7.777 -6.622 1.00 0.00 H new ATOM 0 HA VAL B 611 12.111 9.305 -8.817 1.00 0.00 H new ATOM 0 HB VAL B 611 14.131 7.818 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.592 9.739 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.129 8.875 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.343 10.417 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.061 9.799 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.749 10.479 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.484 8.977 -5.701 1.00 0.00 H new ATOM 1393 N ALA B 612 13.154 6.192 -9.179 1.00 0.00 N ATOM 1394 CA ALA B 612 13.617 5.213 -10.154 1.00 0.00 C ATOM 1395 C ALA B 612 12.691 5.163 -11.365 1.00 0.00 C ATOM 1396 O ALA B 612 13.148 5.096 -12.506 1.00 0.00 O ATOM 1397 CB ALA B 612 13.725 3.838 -9.512 1.00 0.00 C ATOM 0 H ALA B 612 12.961 5.807 -8.254 1.00 0.00 H new ATOM 0 HA ALA B 612 14.605 5.519 -10.498 1.00 0.00 H new ATOM 0 HB1 ALA B 612 14.072 3.117 -10.252 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.433 3.878 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.747 3.533 -9.139 1.00 0.00 H new ATOM 1403 N VAL B 613 11.387 5.196 -11.108 1.00 0.00 N ATOM 1404 CA VAL B 613 10.397 5.154 -12.177 1.00 0.00 C ATOM 1405 C VAL B 613 10.511 6.377 -13.080 1.00 0.00 C ATOM 1406 O VAL B 613 10.404 6.272 -14.303 1.00 0.00 O ATOM 1407 CB VAL B 613 8.965 5.079 -11.613 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.943 5.194 -12.733 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.769 3.789 -10.831 1.00 0.00 C ATOM 0 H VAL B 613 10.992 5.252 -10.169 1.00 0.00 H new ATOM 0 HA VAL B 613 10.598 4.255 -12.760 1.00 0.00 H new ATOM 0 HB VAL B 613 8.816 5.917 -10.932 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.938 5.139 -12.315 1.00 0.00 H new ATOM 0 HG12 VAL B 613 8.071 6.147 -13.246 1.00 0.00 H new ATOM 0 HG13 VAL B 613 8.087 4.378 -13.442 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.752 3.752 -10.439 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.936 2.936 -11.489 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.478 3.754 -10.004 1.00 0.00 H new ATOM 1419 N LEU B 614 10.731 7.537 -12.471 1.00 0.00 N ATOM 1420 CA LEU B 614 10.861 8.782 -13.220 1.00 0.00 C ATOM 1421 C LEU B 614 11.877 8.635 -14.348 1.00 0.00 C ATOM 1422 O LEU B 614 11.704 9.200 -15.428 1.00 0.00 O ATOM 1423 CB LEU B 614 11.279 9.920 -12.287 1.00 0.00 C ATOM 1424 CG LEU B 614 10.505 10.030 -10.973 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.808 11.351 -10.283 1.00 0.00 C ATOM 1426 CD2 LEU B 614 9.010 9.887 -11.221 1.00 0.00 C ATOM 0 H LEU B 614 10.823 7.641 -11.461 1.00 0.00 H new ATOM 0 HA LEU B 614 9.891 9.017 -13.658 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.337 9.801 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.175 10.862 -12.826 1.00 0.00 H new ATOM 0 HG LEU B 614 10.824 9.220 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.248 11.411 -9.350 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.875 11.414 -10.070 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.518 12.176 -10.934 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.475 9.968 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.676 10.676 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.807 8.915 -11.671 1.00 0.00 H new ATOM 1438 N GLN B 615 12.933 7.871 -14.090 1.00 0.00 N ATOM 1439 CA GLN B 615 13.975 7.649 -15.086 1.00 0.00 C ATOM 1440 C GLN B 615 13.379 7.147 -16.396 1.00 0.00 C ATOM 1441 O GLN B 615 13.869 7.471 -17.477 1.00 0.00 O ATOM 1442 CB GLN B 615 15.004 6.646 -14.562 1.00 0.00 C ATOM 1443 CG GLN B 615 16.346 6.723 -15.272 1.00 0.00 C ATOM 1444 CD GLN B 615 17.279 5.594 -14.882 1.00 0.00 C ATOM 1445 OE1 GLN B 615 17.049 4.896 -13.894 1.00 0.00 O ATOM 1446 NE2 GLN B 615 18.340 5.407 -15.659 1.00 0.00 N ATOM 0 H GLN B 615 13.090 7.396 -13.201 1.00 0.00 H new ATOM 0 HA GLN B 615 14.470 8.601 -15.276 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.156 6.817 -13.496 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.603 5.638 -14.669 1.00 0.00 H new ATOM 0 HG2 GLN B 615 16.184 6.699 -16.350 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.820 7.677 -15.042 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.492 6.009 -16.468 1.00 0.00 H new ATOM 0 HE22 GLN B 615 19.003 4.661 -15.446 1.00 0.00 H new ATOM 1455 N ALA B 616 12.318 6.353 -16.292 1.00 0.00 N ATOM 1456 CA ALA B 616 11.653 5.807 -17.468 1.00 0.00 C ATOM 1457 C ALA B 616 11.186 6.920 -18.401 1.00 0.00 C ATOM 1458 O ALA B 616 11.017 6.707 -19.602 1.00 0.00 O ATOM 1459 CB ALA B 616 10.477 4.935 -17.054 1.00 0.00 C ATOM 0 H ALA B 616 11.901 6.074 -15.404 1.00 0.00 H new ATOM 0 HA ALA B 616 12.373 5.193 -18.009 1.00 0.00 H new ATOM 0 HB1 ALA B 616 9.990 4.534 -17.943 1.00 0.00 H new ATOM 0 HB2 ALA B 616 10.834 4.113 -16.434 1.00 0.00 H new ATOM 0 HB3 ALA B 616 9.763 5.532 -16.488 1.00 0.00 H new ATOM 1465 N HIS B 617 10.979 8.107 -17.840 1.00 0.00 N ATOM 1466 CA HIS B 617 10.531 9.254 -18.622 1.00 0.00 C ATOM 1467 C HIS B 617 11.631 10.306 -18.724 1.00 0.00 C ATOM 1468 O HIS B 617 12.130 10.592 -19.812 1.00 0.00 O ATOM 1469 CB HIS B 617 9.278 9.868 -17.996 1.00 0.00 C ATOM 1470 CG HIS B 617 8.350 10.487 -18.995 1.00 0.00 C ATOM 1471 ND1 HIS B 617 7.006 10.681 -18.755 1.00 0.00 N ATOM 1472 CD2 HIS B 617 8.579 10.957 -20.243 1.00 0.00 C ATOM 1473 CE1 HIS B 617 6.449 11.243 -19.812 1.00 0.00 C ATOM 1474 NE2 HIS B 617 7.382 11.422 -20.729 1.00 0.00 N ATOM 0 H HIS B 617 11.114 8.300 -16.848 1.00 0.00 H new ATOM 0 HA HIS B 617 10.292 8.905 -19.627 1.00 0.00 H new ATOM 0 HB2 HIS B 617 8.742 9.096 -17.445 1.00 0.00 H new ATOM 0 HB3 HIS B 617 9.578 10.626 -17.273 1.00 0.00 H new ATOM 0 HD2 HIS B 617 9.527 10.965 -20.761 1.00 0.00 H new ATOM 0 HE1 HIS B 617 5.407 11.511 -19.910 1.00 0.00 H new ATOM 0 HE2 HIS B 617 7.237 11.838 -21.649 1.00 0.00 H new ATOM 1482 N GLN B 618 12.004 10.877 -17.583 1.00 0.00 N ATOM 1483 CA GLN B 618 13.044 11.898 -17.545 1.00 0.00 C ATOM 1484 C GLN B 618 13.751 11.904 -16.193 1.00 0.00 C ATOM 1485 O GLN B 618 13.122 11.722 -15.152 1.00 0.00 O ATOM 1486 CB GLN B 618 12.445 13.277 -17.826 1.00 0.00 C ATOM 1487 CG GLN B 618 11.615 13.827 -16.677 1.00 0.00 C ATOM 1488 CD GLN B 618 10.354 13.023 -16.431 1.00 0.00 C ATOM 1489 OE1 GLN B 618 9.333 13.233 -17.086 1.00 0.00 O ATOM 1490 NE2 GLN B 618 10.418 12.095 -15.483 1.00 0.00 N ATOM 0 H GLN B 618 11.602 10.650 -16.674 1.00 0.00 H new ATOM 0 HA GLN B 618 13.777 11.664 -18.317 1.00 0.00 H new ATOM 0 HB2 GLN B 618 13.252 13.976 -18.047 1.00 0.00 H new ATOM 0 HB3 GLN B 618 11.821 13.218 -18.718 1.00 0.00 H new ATOM 0 HG2 GLN B 618 12.219 13.836 -15.769 1.00 0.00 H new ATOM 0 HG3 GLN B 618 11.346 14.861 -16.891 1.00 0.00 H new ATOM 0 HE21 GLN B 618 11.285 11.955 -14.964 1.00 0.00 H new ATOM 0 HE22 GLN B 618 9.600 11.523 -15.274 1.00 0.00 H new ATOM 1499 N ALA B 619 15.063 12.114 -16.219 1.00 0.00 N ATOM 1500 CA ALA B 619 15.856 12.146 -14.996 1.00 0.00 C ATOM 1501 C ALA B 619 15.591 13.421 -14.203 1.00 0.00 C ATOM 1502 O ALA B 619 14.963 13.387 -13.144 1.00 0.00 O ATOM 1503 CB ALA B 619 17.336 12.023 -15.323 1.00 0.00 C ATOM 0 H ALA B 619 15.599 12.265 -17.074 1.00 0.00 H new ATOM 0 HA ALA B 619 15.560 11.298 -14.379 1.00 0.00 H new ATOM 0 HB1 ALA B 619 17.916 12.048 -14.400 1.00 0.00 H new ATOM 0 HB2 ALA B 619 17.517 11.081 -15.840 1.00 0.00 H new ATOM 0 HB3 ALA B 619 17.637 12.852 -15.964 1.00 0.00 H new ATOM 1509 N LYS B 620 16.075 14.545 -14.720 1.00 0.00 N ATOM 1510 CA LYS B 620 15.890 15.833 -14.061 1.00 0.00 C ATOM 1511 C LYS B 620 15.532 16.916 -15.074 1.00 0.00 C ATOM 1512 O LYS B 620 15.801 18.096 -14.854 1.00 0.00 O ATOM 1513 CB LYS B 620 17.160 16.227 -13.304 1.00 0.00 C ATOM 1514 CG LYS B 620 16.937 17.314 -12.267 1.00 0.00 C ATOM 1515 CD LYS B 620 18.161 18.202 -12.116 1.00 0.00 C ATOM 1516 CE LYS B 620 17.791 19.573 -11.573 1.00 0.00 C ATOM 1517 NZ LYS B 620 18.995 20.410 -11.312 1.00 0.00 N ATOM 0 H LYS B 620 16.599 14.590 -15.594 1.00 0.00 H new ATOM 0 HA LYS B 620 15.067 15.737 -13.353 1.00 0.00 H new ATOM 0 HB2 LYS B 620 17.568 15.344 -12.811 1.00 0.00 H new ATOM 0 HB3 LYS B 620 17.909 16.567 -14.019 1.00 0.00 H new ATOM 0 HG2 LYS B 620 16.079 17.922 -12.555 1.00 0.00 H new ATOM 0 HG3 LYS B 620 16.697 16.858 -11.307 1.00 0.00 H new ATOM 0 HD2 LYS B 620 18.877 17.725 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS B 620 18.653 18.313 -13.082 1.00 0.00 H new ATOM 0 HE2 LYS B 620 17.142 20.083 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS B 620 17.223 19.457 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 620 18.700 21.337 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 620 19.602 19.936 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 620 19.524 20.543 -12.197 1.00 0.00 H new ATOM 1531 N GLU B 621 14.922 16.505 -16.181 1.00 0.00 N ATOM 1532 CA GLU B 621 14.527 17.442 -17.227 1.00 0.00 C ATOM 1533 C GLU B 621 15.734 18.216 -17.748 1.00 0.00 C ATOM 1534 O GLU B 621 15.668 19.429 -17.947 1.00 0.00 O ATOM 1535 CB GLU B 621 13.472 18.416 -16.697 1.00 0.00 C ATOM 1536 CG GLU B 621 12.088 17.804 -16.567 1.00 0.00 C ATOM 1537 CD GLU B 621 11.355 17.732 -17.892 1.00 0.00 C ATOM 1538 OE1 GLU B 621 11.946 17.230 -18.871 1.00 0.00 O ATOM 1539 OE2 GLU B 621 10.190 18.178 -17.950 1.00 0.00 O ATOM 0 H GLU B 621 14.691 15.531 -16.377 1.00 0.00 H new ATOM 0 HA GLU B 621 14.101 16.869 -18.051 1.00 0.00 H new ATOM 0 HB2 GLU B 621 13.789 18.786 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU B 621 13.418 19.277 -17.363 1.00 0.00 H new ATOM 0 HG2 GLU B 621 12.176 16.801 -16.150 1.00 0.00 H new ATOM 0 HG3 GLU B 621 11.500 18.392 -15.862 1.00 0.00 H new ATOM 1546 N ALA B 622 16.835 17.506 -17.967 1.00 0.00 N ATOM 1547 CA ALA B 622 18.057 18.125 -18.467 1.00 0.00 C ATOM 1548 C ALA B 622 18.316 17.734 -19.918 1.00 0.00 C ATOM 1549 O ALA B 622 18.702 16.601 -20.206 1.00 0.00 O ATOM 1550 CB ALA B 622 19.241 17.736 -17.594 1.00 0.00 C ATOM 0 H ALA B 622 16.906 16.501 -17.806 1.00 0.00 H new ATOM 0 HA ALA B 622 17.930 19.207 -18.427 1.00 0.00 H new ATOM 0 HB1 ALA B 622 20.146 18.205 -17.979 1.00 0.00 H new ATOM 0 HB2 ALA B 622 19.065 18.071 -16.572 1.00 0.00 H new ATOM 0 HB3 ALA B 622 19.361 16.653 -17.605 1.00 0.00 H new ATOM 1556 N ALA B 623 18.101 18.678 -20.828 1.00 0.00 N ATOM 1557 CA ALA B 623 18.313 18.433 -22.249 1.00 0.00 C ATOM 1558 C ALA B 623 19.573 19.133 -22.745 1.00 0.00 C ATOM 1559 O ALA B 623 19.527 20.290 -23.167 1.00 0.00 O ATOM 1560 CB ALA B 623 17.102 18.889 -23.050 1.00 0.00 C ATOM 0 H ALA B 623 17.780 19.620 -20.606 1.00 0.00 H new ATOM 0 HA ALA B 623 18.446 17.361 -22.392 1.00 0.00 H new ATOM 0 HB1 ALA B 623 17.274 18.700 -24.110 1.00 0.00 H new ATOM 0 HB2 ALA B 623 16.220 18.338 -22.722 1.00 0.00 H new ATOM 0 HB3 ALA B 623 16.943 19.956 -22.893 1.00 0.00 H new TER 1566 ALA B 623