USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 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 45 GLN : amide:sc= 0.77 K(o=1.5,f=-1.4) USER MOD Set 1.2: B 49 GLN : amide:sc= 0.717 K(o=1.5,f=-0.23) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 92 ASN : amide:sc= 0.018 K(o=0.018,f=-4.1!) USER MOD Set 3.1: A 45 GLN : amide:sc= -0.143 K(o=-1.2,f=-5!) USER MOD Set 3.2: A 49 GLN : amide:sc= -1.06 K(o=-1.2,f=-0.59) USER MOD Set 4.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 83 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3.9!) USER MOD Set 5.1: A 26 SER OG : rot 95:sc= 0.608 USER MOD Set 5.2: B 24 GLN : amide:sc= 0.898 K(o=2.6,f=-3.8!) USER MOD Set 5.3: B 73 HIS : no HE2:sc= 1.05 K(o=2.6,f=-4.2!) USER MOD Single : A 24 GLN : amide:sc= -0.708! C(o=-0.71!,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0382) USER MOD Single : A 28 GLN : amide:sc= -3.37! K(o=-3.4!,f=-0.81) USER MOD Single : A 31 SER OG : rot 70:sc= 1.24 USER MOD Single : A 32 HIS : no HD1:sc= -1.48! K(o=-1.5!,f=-0.22) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -113:sc= 1.34 (180deg=0.557) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.11) USER MOD Single : A 44 SER OG : rot 44:sc= 0.0232 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.295 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0021 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= 1.22 (180deg=1.08) USER MOD Single : A 61 SER OG : rot 105:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -2.18! USER MOD Single : A 73 HIS : no HE2:sc= 0.798 K(o=0.8,f=-4.6!) USER MOD Single : A 80 HIS : no HE2:sc= 0.814 K(o=0.81,f=-4.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 SER OG : rot 180:sc= -0.0258 USER MOD Single : B 27 LYS NZ :NH3+ 166:sc= -0.0211 (180deg=-0.221) USER MOD Single : B 28 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.78) USER MOD Single : B 31 SER OG : rot 84:sc= 0.531 USER MOD Single : B 32 HIS : no HD1:sc= 0.902 K(o=0.9,f=-5.4!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -140:sc= -1.01 (180deg=-3.27!) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -0.0974 X(o=-0.097,f=0) USER MOD Single : B 44 SER OG : rot 38:sc= 0.143 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 4:sc= 1.16 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 SER OG : rot 88:sc= 1.28 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.18) USER MOD Single : B 71 TYR OH : rot 177:sc= 1.28 USER MOD Single : B 72 TYR OH : rot 16:sc= -2.36! USER MOD Single : B 80 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.3!) USER MOD Single : B 83 ASN : amide:sc= -1.05 K(o=-1,f=-2.9!) USER MOD Single : B 91 TYR OH : rot -9:sc= 1.05 USER MOD Single : B 92 ASN : amide:sc= -0.228 K(o=-0.23,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -5.179 -5.290 -8.182 1.00 0.00 N ATOM 2 CA ALA A 22 -5.603 -4.323 -7.146 1.00 0.00 C ATOM 3 C ALA A 22 -4.391 -3.766 -6.418 1.00 0.00 C ATOM 4 O ALA A 22 -3.421 -4.484 -6.176 1.00 0.00 O ATOM 5 CB ALA A 22 -6.559 -4.978 -6.159 1.00 0.00 C ATOM 0 HA ALA A 22 -6.126 -3.501 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.859 -4.250 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.441 -5.335 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.062 -5.818 -5.674 1.00 0.00 H new ATOM 13 N GLU A 23 -4.451 -2.493 -6.059 1.00 0.00 N ATOM 14 CA GLU A 23 -3.327 -1.840 -5.408 1.00 0.00 C ATOM 15 C GLU A 23 -3.650 -1.553 -3.945 1.00 0.00 C ATOM 16 O GLU A 23 -4.817 -1.387 -3.582 1.00 0.00 O ATOM 17 CB GLU A 23 -2.971 -0.540 -6.138 1.00 0.00 C ATOM 18 CG GLU A 23 -1.655 0.069 -5.683 1.00 0.00 C ATOM 19 CD GLU A 23 -0.496 -0.888 -5.859 1.00 0.00 C ATOM 20 OE1 GLU A 23 -0.301 -1.764 -4.985 1.00 0.00 O ATOM 21 OE2 GLU A 23 0.217 -0.778 -6.876 1.00 0.00 O ATOM 0 H GLU A 23 -5.263 -1.894 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.468 -2.510 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.921 -0.736 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.770 0.185 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.462 0.980 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.732 0.356 -4.634 1.00 0.00 H new ATOM 28 N GLN A 24 -2.624 -1.507 -3.105 1.00 0.00 N ATOM 29 CA GLN A 24 -2.824 -1.204 -1.698 1.00 0.00 C ATOM 30 C GLN A 24 -2.569 0.273 -1.441 1.00 0.00 C ATOM 31 O GLN A 24 -1.623 0.852 -1.977 1.00 0.00 O ATOM 32 CB GLN A 24 -1.909 -2.038 -0.800 1.00 0.00 C ATOM 33 CG GLN A 24 -2.353 -2.022 0.658 1.00 0.00 C ATOM 34 CD GLN A 24 -1.325 -2.573 1.624 1.00 0.00 C ATOM 35 OE1 GLN A 24 -1.294 -2.176 2.788 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.479 -3.477 1.156 1.00 0.00 N ATOM 0 H GLN A 24 -1.654 -1.674 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.857 -1.453 -1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.891 -3.067 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.890 -1.657 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.591 -0.997 0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.272 -2.601 0.753 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.541 -3.778 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.235 -3.873 1.768 1.00 0.00 H new ATOM 45 N VAL A 25 -3.421 0.875 -0.630 1.00 0.00 N ATOM 46 CA VAL A 25 -3.267 2.271 -0.252 1.00 0.00 C ATOM 47 C VAL A 25 -3.257 2.410 1.264 1.00 0.00 C ATOM 48 O VAL A 25 -3.817 1.571 1.978 1.00 0.00 O ATOM 49 CB VAL A 25 -4.393 3.149 -0.841 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.295 3.208 -2.359 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.759 2.631 -0.413 1.00 0.00 C ATOM 0 H VAL A 25 -4.233 0.416 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.316 2.615 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.272 4.160 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.098 3.832 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.333 3.633 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.384 2.202 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.538 3.264 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.888 1.608 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.831 2.649 0.674 1.00 0.00 H new ATOM 61 N SER A 26 -2.612 3.452 1.752 1.00 0.00 N ATOM 62 CA SER A 26 -2.559 3.712 3.175 1.00 0.00 C ATOM 63 C SER A 26 -3.717 4.621 3.591 1.00 0.00 C ATOM 64 O SER A 26 -4.399 5.206 2.743 1.00 0.00 O ATOM 65 CB SER A 26 -1.215 4.336 3.545 1.00 0.00 C ATOM 66 OG SER A 26 -0.142 3.492 3.163 1.00 0.00 O ATOM 0 H SER A 26 -2.115 4.135 1.179 1.00 0.00 H new ATOM 0 HA SER A 26 -2.658 2.769 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.113 5.305 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.177 4.516 4.619 1.00 0.00 H new ATOM 0 HG SER A 26 0.191 3.764 2.282 1.00 0.00 H new ATOM 72 N LYS A 27 -3.931 4.746 4.899 1.00 0.00 N ATOM 73 CA LYS A 27 -5.104 5.439 5.419 1.00 0.00 C ATOM 74 C LYS A 27 -5.104 6.918 5.029 1.00 0.00 C ATOM 75 O LYS A 27 -6.159 7.553 4.991 1.00 0.00 O ATOM 76 CB LYS A 27 -5.191 5.285 6.942 1.00 0.00 C ATOM 77 CG LYS A 27 -6.520 5.744 7.527 1.00 0.00 C ATOM 78 CD LYS A 27 -6.570 5.544 9.033 1.00 0.00 C ATOM 79 CE LYS A 27 -7.888 6.024 9.628 1.00 0.00 C ATOM 80 NZ LYS A 27 -9.050 5.209 9.176 1.00 0.00 N ATOM 0 H LYS A 27 -3.307 4.376 5.616 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.984 4.978 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.031 4.239 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.385 5.855 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.676 6.797 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.334 5.191 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.431 4.488 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.744 6.083 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.826 5.989 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.050 7.066 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.905 5.511 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.191 5.342 8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.866 4.204 9.372 1.00 0.00 H new ATOM 94 N GLN A 28 -3.930 7.461 4.718 1.00 0.00 N ATOM 95 CA GLN A 28 -3.835 8.850 4.293 1.00 0.00 C ATOM 96 C GLN A 28 -4.527 9.027 2.950 1.00 0.00 C ATOM 97 O GLN A 28 -5.317 9.951 2.767 1.00 0.00 O ATOM 98 CB GLN A 28 -2.380 9.320 4.183 1.00 0.00 C ATOM 99 CG GLN A 28 -1.590 9.212 5.477 1.00 0.00 C ATOM 100 CD GLN A 28 -0.938 7.856 5.659 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.766 7.382 6.780 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.578 7.218 4.556 1.00 0.00 N ATOM 0 H GLN A 28 -3.040 6.964 4.752 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.326 9.459 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.878 8.733 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.370 10.358 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.821 9.984 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.254 9.406 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.738 7.646 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.141 6.299 4.618 1.00 0.00 H new ATOM 111 N GLU A 29 -4.249 8.117 2.024 1.00 0.00 N ATOM 112 CA GLU A 29 -4.829 8.183 0.692 1.00 0.00 C ATOM 113 C GLU A 29 -6.325 7.909 0.764 1.00 0.00 C ATOM 114 O GLU A 29 -7.124 8.576 0.105 1.00 0.00 O ATOM 115 CB GLU A 29 -4.155 7.184 -0.256 1.00 0.00 C ATOM 116 CG GLU A 29 -2.639 7.326 -0.341 1.00 0.00 C ATOM 117 CD GLU A 29 -1.909 6.536 0.730 1.00 0.00 C ATOM 118 OE1 GLU A 29 -1.805 7.025 1.879 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.451 5.414 0.426 1.00 0.00 O ATOM 0 H GLU A 29 -3.624 7.324 2.173 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.664 9.186 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.396 6.172 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.576 7.306 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.303 6.993 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.373 8.379 -0.253 1.00 0.00 H new ATOM 126 N ILE A 30 -6.693 6.937 1.592 1.00 0.00 N ATOM 127 CA ILE A 30 -8.092 6.593 1.810 1.00 0.00 C ATOM 128 C ILE A 30 -8.888 7.815 2.268 1.00 0.00 C ATOM 129 O ILE A 30 -9.985 8.081 1.771 1.00 0.00 O ATOM 130 CB ILE A 30 -8.230 5.474 2.864 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.475 4.222 2.412 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.697 5.152 3.115 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.433 3.126 3.454 1.00 0.00 C ATOM 0 H ILE A 30 -6.035 6.370 2.127 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.491 6.239 0.860 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.793 5.824 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.943 3.833 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.454 4.500 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.773 4.361 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.208 6.044 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.161 4.821 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.882 2.272 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.938 3.496 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.449 2.819 3.701 1.00 0.00 H new ATOM 145 N SER A 31 -8.312 8.565 3.199 1.00 0.00 N ATOM 146 CA SER A 31 -8.967 9.742 3.748 1.00 0.00 C ATOM 147 C SER A 31 -8.902 10.915 2.769 1.00 0.00 C ATOM 148 O SER A 31 -9.856 11.682 2.643 1.00 0.00 O ATOM 149 CB SER A 31 -8.311 10.128 5.076 1.00 0.00 C ATOM 150 OG SER A 31 -8.224 9.009 5.944 1.00 0.00 O ATOM 0 H SER A 31 -7.389 8.377 3.590 1.00 0.00 H new ATOM 0 HA SER A 31 -10.017 9.503 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.314 10.527 4.891 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.888 10.920 5.554 1.00 0.00 H new ATOM 0 HG SER A 31 -7.566 8.373 5.593 1.00 0.00 H new ATOM 156 N HIS A 32 -7.777 11.035 2.069 1.00 0.00 N ATOM 157 CA HIS A 32 -7.552 12.146 1.147 1.00 0.00 C ATOM 158 C HIS A 32 -8.466 12.045 -0.073 1.00 0.00 C ATOM 159 O HIS A 32 -9.092 13.024 -0.468 1.00 0.00 O ATOM 160 CB HIS A 32 -6.081 12.171 0.707 1.00 0.00 C ATOM 161 CG HIS A 32 -5.684 13.390 -0.075 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.008 14.454 0.484 1.00 0.00 N ATOM 163 CD2 HIS A 32 -5.845 13.698 -1.386 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.771 15.359 -0.445 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.268 14.927 -1.587 1.00 0.00 N ATOM 0 H HIS A 32 -7.003 10.373 2.123 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.788 13.074 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.449 12.102 1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.881 11.286 0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.335 13.090 -2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.256 16.297 -0.296 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.230 15.425 -2.476 1.00 0.00 H new ATOM 174 N PHE A 33 -8.538 10.861 -0.667 1.00 0.00 N ATOM 175 CA PHE A 33 -9.351 10.661 -1.861 1.00 0.00 C ATOM 176 C PHE A 33 -10.778 10.269 -1.493 1.00 0.00 C ATOM 177 O PHE A 33 -11.667 10.269 -2.344 1.00 0.00 O ATOM 178 CB PHE A 33 -8.725 9.591 -2.759 1.00 0.00 C ATOM 179 CG PHE A 33 -7.393 9.989 -3.333 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.322 10.779 -4.469 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.214 9.567 -2.741 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.099 11.144 -5.001 1.00 0.00 C ATOM 183 CE2 PHE A 33 -4.989 9.929 -3.268 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.931 10.716 -4.401 1.00 0.00 C ATOM 0 H PHE A 33 -8.046 10.028 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.386 11.604 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.604 8.673 -2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.411 9.368 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.232 11.114 -4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.253 8.948 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.057 11.763 -5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.077 9.597 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.975 10.996 -4.817 1.00 0.00 H new ATOM 194 N LYS A 34 -10.981 9.944 -0.218 1.00 0.00 N ATOM 195 CA LYS A 34 -12.286 9.557 0.300 1.00 0.00 C ATOM 196 C LYS A 34 -12.782 8.299 -0.404 1.00 0.00 C ATOM 197 O LYS A 34 -13.849 8.285 -1.017 1.00 0.00 O ATOM 198 CB LYS A 34 -13.304 10.694 0.151 1.00 0.00 C ATOM 199 CG LYS A 34 -14.474 10.564 1.106 1.00 0.00 C ATOM 200 CD LYS A 34 -14.021 10.753 2.544 1.00 0.00 C ATOM 201 CE LYS A 34 -14.758 9.824 3.489 1.00 0.00 C ATOM 202 NZ LYS A 34 -14.333 10.015 4.900 1.00 0.00 N ATOM 0 H LYS A 34 -10.242 9.942 0.485 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.178 9.345 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.805 11.647 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.677 10.710 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.235 11.305 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.935 9.583 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.949 10.569 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.188 11.787 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.831 9.999 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.580 8.790 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.861 9.361 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.314 9.823 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.526 10.995 5.191 1.00 0.00 H new ATOM 216 N LEU A 35 -11.984 7.245 -0.316 1.00 0.00 N ATOM 217 CA LEU A 35 -12.327 5.969 -0.924 1.00 0.00 C ATOM 218 C LEU A 35 -13.505 5.330 -0.200 1.00 0.00 C ATOM 219 O LEU A 35 -13.711 5.556 0.996 1.00 0.00 O ATOM 220 CB LEU A 35 -11.122 5.026 -0.898 1.00 0.00 C ATOM 221 CG LEU A 35 -9.898 5.510 -1.679 1.00 0.00 C ATOM 222 CD1 LEU A 35 -8.756 4.518 -1.546 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.250 5.723 -3.144 1.00 0.00 C ATOM 0 H LEU A 35 -11.089 7.250 0.174 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.612 6.149 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.830 4.864 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.429 4.059 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.577 6.464 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.894 4.878 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.486 4.412 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.067 3.550 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.368 6.067 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.596 4.784 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.039 6.471 -3.224 1.00 0.00 H new ATOM 235 N VAL A 36 -14.275 4.541 -0.927 1.00 0.00 N ATOM 236 CA VAL A 36 -15.445 3.885 -0.372 1.00 0.00 C ATOM 237 C VAL A 36 -15.160 2.409 -0.125 1.00 0.00 C ATOM 238 O VAL A 36 -14.797 1.678 -1.047 1.00 0.00 O ATOM 239 CB VAL A 36 -16.658 4.036 -1.317 1.00 0.00 C ATOM 240 CG1 VAL A 36 -17.856 3.245 -0.816 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.024 5.503 -1.475 1.00 0.00 C ATOM 0 H VAL A 36 -14.109 4.338 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.683 4.364 0.578 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.375 3.633 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.691 3.374 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.595 2.188 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.142 3.605 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.880 5.594 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.278 5.922 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.177 6.046 -1.894 1.00 0.00 H new ATOM 251 N LYS A 37 -15.297 1.981 1.124 1.00 0.00 N ATOM 252 CA LYS A 37 -15.092 0.584 1.471 1.00 0.00 C ATOM 253 C LYS A 37 -16.278 -0.256 1.012 1.00 0.00 C ATOM 254 O LYS A 37 -17.424 0.009 1.381 1.00 0.00 O ATOM 255 CB LYS A 37 -14.864 0.424 2.980 1.00 0.00 C ATOM 256 CG LYS A 37 -14.724 -1.026 3.425 1.00 0.00 C ATOM 257 CD LYS A 37 -14.184 -1.143 4.845 1.00 0.00 C ATOM 258 CE LYS A 37 -15.027 -0.372 5.851 1.00 0.00 C ATOM 259 NZ LYS A 37 -14.571 -0.609 7.246 1.00 0.00 N ATOM 0 H LYS A 37 -15.548 2.581 1.910 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.199 0.230 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.964 0.971 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.696 0.881 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.695 -1.518 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.058 -1.552 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.150 -2.194 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.160 -0.772 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.976 0.694 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.071 -0.669 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.303 -1.133 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.691 -1.163 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.399 0.303 7.715 1.00 0.00 H new ATOM 273 N VAL A 38 -15.995 -1.251 0.191 1.00 0.00 N ATOM 274 CA VAL A 38 -17.028 -2.134 -0.329 1.00 0.00 C ATOM 275 C VAL A 38 -17.318 -3.242 0.673 1.00 0.00 C ATOM 276 O VAL A 38 -18.458 -3.686 0.826 1.00 0.00 O ATOM 277 CB VAL A 38 -16.601 -2.757 -1.677 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.741 -3.553 -2.297 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.115 -1.676 -2.629 1.00 0.00 C ATOM 0 H VAL A 38 -15.053 -1.470 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 38 -17.928 -1.541 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.778 -3.447 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.413 -3.980 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.035 -4.355 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.592 -2.895 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.818 -2.130 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.918 -0.960 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.261 -1.161 -2.189 1.00 0.00 H new ATOM 289 N GLY A 39 -16.273 -3.666 1.369 1.00 0.00 N ATOM 290 CA GLY A 39 -16.401 -4.722 2.345 1.00 0.00 C ATOM 291 C GLY A 39 -15.066 -5.072 2.962 1.00 0.00 C ATOM 292 O GLY A 39 -14.055 -4.438 2.660 1.00 0.00 O ATOM 0 H GLY A 39 -15.330 -3.291 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.095 -4.414 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.827 -5.607 1.872 1.00 0.00 H new ATOM 296 N THR A 40 -15.057 -6.075 3.820 1.00 0.00 N ATOM 297 CA THR A 40 -13.836 -6.504 4.478 1.00 0.00 C ATOM 298 C THR A 40 -13.537 -7.964 4.141 1.00 0.00 C ATOM 299 O THR A 40 -14.415 -8.825 4.230 1.00 0.00 O ATOM 300 CB THR A 40 -13.957 -6.331 6.004 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.495 -5.034 6.290 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.604 -6.479 6.685 1.00 0.00 C ATOM 0 H THR A 40 -15.886 -6.610 4.079 1.00 0.00 H new ATOM 0 HA THR A 40 -13.015 -5.883 4.119 1.00 0.00 H new ATOM 0 HB THR A 40 -14.618 -7.108 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.576 -4.920 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.722 -6.352 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.200 -7.470 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.920 -5.721 6.303 1.00 0.00 H new ATOM 310 N ILE A 41 -12.306 -8.233 3.741 1.00 0.00 N ATOM 311 CA ILE A 41 -11.900 -9.580 3.371 1.00 0.00 C ATOM 312 C ILE A 41 -10.809 -10.083 4.303 1.00 0.00 C ATOM 313 O ILE A 41 -9.946 -9.320 4.731 1.00 0.00 O ATOM 314 CB ILE A 41 -11.389 -9.643 1.913 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.279 -8.609 1.685 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.537 -9.431 0.936 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.679 -8.649 0.295 1.00 0.00 C ATOM 0 H ILE A 41 -11.567 -7.534 3.664 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.781 -10.215 3.458 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.970 -10.634 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.681 -7.613 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.488 -8.773 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.159 -9.479 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.287 -10.208 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.988 -8.454 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.902 -7.889 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.245 -9.633 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.457 -8.454 -0.443 1.00 0.00 H new ATOM 329 N ASN A 42 -10.857 -11.358 4.634 1.00 0.00 N ATOM 330 CA ASN A 42 -9.835 -11.952 5.477 1.00 0.00 C ATOM 331 C ASN A 42 -9.308 -13.227 4.837 1.00 0.00 C ATOM 332 O ASN A 42 -10.075 -14.113 4.462 1.00 0.00 O ATOM 333 CB ASN A 42 -10.372 -12.227 6.893 1.00 0.00 C ATOM 334 CG ASN A 42 -11.489 -13.257 6.939 1.00 0.00 C ATOM 335 OD1 ASN A 42 -11.239 -14.455 7.072 1.00 0.00 O ATOM 336 ND2 ASN A 42 -12.730 -12.803 6.852 1.00 0.00 N ATOM 0 H ASN A 42 -11.589 -12.002 4.334 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.012 -11.244 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.550 -12.568 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.735 -11.293 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.515 -13.453 6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.901 -11.803 6.742 1.00 0.00 H new ATOM 343 N VAL A 43 -7.998 -13.297 4.673 1.00 0.00 N ATOM 344 CA VAL A 43 -7.368 -14.462 4.080 1.00 0.00 C ATOM 345 C VAL A 43 -6.757 -15.339 5.162 1.00 0.00 C ATOM 346 O VAL A 43 -5.683 -15.040 5.686 1.00 0.00 O ATOM 347 CB VAL A 43 -6.271 -14.066 3.066 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.686 -15.299 2.395 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.818 -13.100 2.026 1.00 0.00 C ATOM 0 H VAL A 43 -7.349 -12.558 4.943 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.143 -15.014 3.549 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.473 -13.563 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.916 -14.996 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.247 -15.951 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.475 -15.835 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.028 -12.836 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.639 -13.572 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.180 -12.199 2.521 1.00 0.00 H new ATOM 359 N SER A 44 -7.457 -16.406 5.504 1.00 0.00 N ATOM 360 CA SER A 44 -6.981 -17.345 6.503 1.00 0.00 C ATOM 361 C SER A 44 -6.550 -18.645 5.832 1.00 0.00 C ATOM 362 O SER A 44 -7.356 -19.327 5.196 1.00 0.00 O ATOM 363 CB SER A 44 -8.074 -17.592 7.546 1.00 0.00 C ATOM 364 OG SER A 44 -9.340 -17.775 6.929 1.00 0.00 O ATOM 0 H SER A 44 -8.363 -16.644 5.101 1.00 0.00 H new ATOM 0 HA SER A 44 -6.114 -16.926 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.824 -18.473 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.121 -16.748 8.235 1.00 0.00 H new ATOM 0 HG SER A 44 -9.242 -18.361 6.150 1.00 0.00 H new ATOM 370 N GLN A 45 -5.272 -18.972 5.957 1.00 0.00 N ATOM 371 CA GLN A 45 -4.708 -20.117 5.254 1.00 0.00 C ATOM 372 C GLN A 45 -3.885 -20.980 6.200 1.00 0.00 C ATOM 373 O GLN A 45 -3.124 -20.467 7.025 1.00 0.00 O ATOM 374 CB GLN A 45 -3.842 -19.655 4.079 1.00 0.00 C ATOM 375 CG GLN A 45 -4.602 -18.847 3.036 1.00 0.00 C ATOM 376 CD GLN A 45 -5.755 -19.612 2.416 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.715 -20.834 2.295 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.796 -18.893 2.026 1.00 0.00 N ATOM 0 H GLN A 45 -4.606 -18.462 6.538 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.534 -20.715 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.018 -19.053 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.402 -20.529 3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.984 -17.937 3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.913 -18.540 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.789 -17.880 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.605 -19.352 1.607 1.00 0.00 H new ATOM 387 N SER A 46 -4.034 -22.287 6.060 1.00 0.00 N ATOM 388 CA SER A 46 -3.388 -23.237 6.950 1.00 0.00 C ATOM 389 C SER A 46 -1.893 -23.358 6.666 1.00 0.00 C ATOM 390 O SER A 46 -1.481 -23.571 5.526 1.00 0.00 O ATOM 391 CB SER A 46 -4.058 -24.603 6.812 1.00 0.00 C ATOM 392 OG SER A 46 -5.435 -24.527 7.149 1.00 0.00 O ATOM 0 H SER A 46 -4.603 -22.717 5.331 1.00 0.00 H new ATOM 0 HA SER A 46 -3.499 -22.870 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.949 -24.965 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.560 -25.324 7.460 1.00 0.00 H new ATOM 0 HG SER A 46 -5.845 -25.412 7.052 1.00 0.00 H new ATOM 398 N GLY A 47 -1.089 -23.194 7.710 1.00 0.00 N ATOM 399 CA GLY A 47 0.343 -23.408 7.598 1.00 0.00 C ATOM 400 C GLY A 47 1.056 -22.316 6.833 1.00 0.00 C ATOM 401 O GLY A 47 2.164 -22.527 6.337 1.00 0.00 O ATOM 0 H GLY A 47 -1.406 -22.915 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.771 -23.480 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.523 -24.363 7.105 1.00 0.00 H new ATOM 405 N GLY A 48 0.429 -21.152 6.737 1.00 0.00 N ATOM 406 CA GLY A 48 1.036 -20.046 6.027 1.00 0.00 C ATOM 407 C GLY A 48 1.240 -20.360 4.559 1.00 0.00 C ATOM 408 O GLY A 48 2.372 -20.432 4.083 1.00 0.00 O ATOM 0 H GLY A 48 -0.488 -20.955 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.406 -19.162 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.996 -19.805 6.483 1.00 0.00 H new ATOM 412 N GLN A 49 0.137 -20.559 3.847 1.00 0.00 N ATOM 413 CA GLN A 49 0.182 -20.854 2.417 1.00 0.00 C ATOM 414 C GLN A 49 0.717 -19.657 1.641 1.00 0.00 C ATOM 415 O GLN A 49 1.183 -19.791 0.511 1.00 0.00 O ATOM 416 CB GLN A 49 -1.210 -21.241 1.917 1.00 0.00 C ATOM 417 CG GLN A 49 -1.765 -22.484 2.598 1.00 0.00 C ATOM 418 CD GLN A 49 -3.196 -22.792 2.205 1.00 0.00 C ATOM 419 OE1 GLN A 49 -3.964 -23.343 2.997 1.00 0.00 O ATOM 420 NE2 GLN A 49 -3.567 -22.448 0.983 1.00 0.00 N ATOM 0 H GLN A 49 -0.805 -20.521 4.238 1.00 0.00 H new ATOM 0 HA GLN A 49 0.857 -21.694 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.893 -20.408 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.169 -21.411 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.135 -23.338 2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.712 -22.352 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.902 -21.994 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.518 -22.637 0.667 1.00 0.00 H new ATOM 429 N ILE A 50 0.644 -18.490 2.262 1.00 0.00 N ATOM 430 CA ILE A 50 1.207 -17.278 1.693 1.00 0.00 C ATOM 431 C ILE A 50 2.712 -17.245 1.952 1.00 0.00 C ATOM 432 O ILE A 50 3.155 -17.012 3.080 1.00 0.00 O ATOM 433 CB ILE A 50 0.542 -16.004 2.278 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.901 -15.849 1.775 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.350 -14.763 1.940 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.888 -16.804 2.408 1.00 0.00 C ATOM 0 H ILE A 50 0.196 -18.358 3.169 1.00 0.00 H new ATOM 0 HA ILE A 50 1.014 -17.287 0.620 1.00 0.00 H new ATOM 0 HB ILE A 50 0.517 -16.117 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.231 -14.827 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.914 -15.995 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.862 -13.885 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.352 -14.857 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.417 -14.656 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.881 -16.626 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.587 -17.830 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.908 -16.645 3.486 1.00 0.00 H new ATOM 448 N SER A 51 3.488 -17.509 0.913 1.00 0.00 N ATOM 449 CA SER A 51 4.934 -17.600 1.048 1.00 0.00 C ATOM 450 C SER A 51 5.608 -16.241 0.861 1.00 0.00 C ATOM 451 O SER A 51 6.739 -16.035 1.306 1.00 0.00 O ATOM 452 CB SER A 51 5.484 -18.601 0.031 1.00 0.00 C ATOM 453 OG SER A 51 4.837 -19.857 0.157 1.00 0.00 O ATOM 0 H SER A 51 3.141 -17.664 -0.034 1.00 0.00 H new ATOM 0 HA SER A 51 5.156 -17.941 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.343 -18.215 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.557 -18.724 0.179 1.00 0.00 H new ATOM 0 HG SER A 51 5.203 -20.481 -0.504 1.00 0.00 H new ATOM 459 N SER A 52 4.915 -15.313 0.218 1.00 0.00 N ATOM 460 CA SER A 52 5.498 -14.018 -0.090 1.00 0.00 C ATOM 461 C SER A 52 4.434 -12.929 -0.063 1.00 0.00 C ATOM 462 O SER A 52 3.239 -13.223 -0.147 1.00 0.00 O ATOM 463 CB SER A 52 6.149 -14.068 -1.473 1.00 0.00 C ATOM 464 OG SER A 52 5.180 -14.331 -2.475 1.00 0.00 O ATOM 0 H SER A 52 3.953 -15.433 -0.099 1.00 0.00 H new ATOM 0 HA SER A 52 6.251 -13.785 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.646 -13.120 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.917 -14.841 -1.491 1.00 0.00 H new ATOM 0 HG SER A 52 5.616 -14.357 -3.352 1.00 0.00 H new ATOM 470 N PRO A 53 4.846 -11.653 0.054 1.00 0.00 N ATOM 471 CA PRO A 53 3.922 -10.522 -0.045 1.00 0.00 C ATOM 472 C PRO A 53 3.249 -10.481 -1.415 1.00 0.00 C ATOM 473 O PRO A 53 2.125 -10.001 -1.557 1.00 0.00 O ATOM 474 CB PRO A 53 4.815 -9.290 0.158 1.00 0.00 C ATOM 475 CG PRO A 53 6.206 -9.766 -0.093 1.00 0.00 C ATOM 476 CD PRO A 53 6.230 -11.214 0.302 1.00 0.00 C ATOM 0 HA PRO A 53 3.114 -10.581 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.543 -8.490 -0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.712 -8.891 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.476 -9.644 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.925 -9.191 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.945 -11.782 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.512 -11.342 1.347 1.00 0.00 H new ATOM 484 N SER A 54 3.949 -11.006 -2.414 1.00 0.00 N ATOM 485 CA SER A 54 3.425 -11.089 -3.766 1.00 0.00 C ATOM 486 C SER A 54 2.247 -12.057 -3.821 1.00 0.00 C ATOM 487 O SER A 54 1.203 -11.750 -4.395 1.00 0.00 O ATOM 488 CB SER A 54 4.529 -11.554 -4.715 1.00 0.00 C ATOM 489 OG SER A 54 5.734 -10.848 -4.467 1.00 0.00 O ATOM 0 H SER A 54 4.891 -11.383 -2.308 1.00 0.00 H new ATOM 0 HA SER A 54 3.077 -10.103 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.696 -12.624 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.217 -11.399 -5.748 1.00 0.00 H new ATOM 0 HG SER A 54 6.429 -11.161 -5.083 1.00 0.00 H new ATOM 495 N ASP A 55 2.424 -13.220 -3.201 1.00 0.00 N ATOM 496 CA ASP A 55 1.383 -14.244 -3.157 1.00 0.00 C ATOM 497 C ASP A 55 0.151 -13.726 -2.418 1.00 0.00 C ATOM 498 O ASP A 55 -0.989 -13.944 -2.847 1.00 0.00 O ATOM 499 CB ASP A 55 1.919 -15.504 -2.472 1.00 0.00 C ATOM 500 CG ASP A 55 0.899 -16.621 -2.427 1.00 0.00 C ATOM 501 OD1 ASP A 55 0.646 -17.244 -3.484 1.00 0.00 O ATOM 502 OD2 ASP A 55 0.345 -16.882 -1.346 1.00 0.00 O ATOM 0 H ASP A 55 3.285 -13.479 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 55 1.093 -14.490 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.808 -15.850 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.227 -15.257 -1.456 1.00 0.00 H new ATOM 507 N LEU A 56 0.394 -13.024 -1.315 1.00 0.00 N ATOM 508 CA LEU A 56 -0.677 -12.412 -0.535 1.00 0.00 C ATOM 509 C LEU A 56 -1.414 -11.371 -1.370 1.00 0.00 C ATOM 510 O LEU A 56 -2.645 -11.308 -1.360 1.00 0.00 O ATOM 511 CB LEU A 56 -0.105 -11.755 0.725 1.00 0.00 C ATOM 512 CG LEU A 56 -1.137 -11.144 1.676 1.00 0.00 C ATOM 513 CD1 LEU A 56 -2.079 -12.215 2.207 1.00 0.00 C ATOM 514 CD2 LEU A 56 -0.443 -10.425 2.823 1.00 0.00 C ATOM 0 H LEU A 56 1.329 -12.864 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.380 -13.192 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.471 -12.501 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.592 -10.973 0.422 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.728 -10.416 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.805 -11.760 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.602 -12.685 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.506 -12.969 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.191 -9.996 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.173 -11.133 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.187 -9.629 2.426 1.00 0.00 H new ATOM 526 N ARG A 57 -0.646 -10.567 -2.098 1.00 0.00 N ATOM 527 CA ARG A 57 -1.196 -9.513 -2.945 1.00 0.00 C ATOM 528 C ARG A 57 -2.167 -10.098 -3.968 1.00 0.00 C ATOM 529 O ARG A 57 -3.195 -9.497 -4.279 1.00 0.00 O ATOM 530 CB ARG A 57 -0.056 -8.778 -3.658 1.00 0.00 C ATOM 531 CG ARG A 57 -0.459 -7.452 -4.281 1.00 0.00 C ATOM 532 CD ARG A 57 0.721 -6.798 -4.981 1.00 0.00 C ATOM 533 NE ARG A 57 0.449 -5.412 -5.370 1.00 0.00 N ATOM 534 CZ ARG A 57 0.686 -4.918 -6.585 1.00 0.00 C ATOM 535 NH1 ARG A 57 1.110 -5.713 -7.559 1.00 0.00 N ATOM 536 NH2 ARG A 57 0.490 -3.631 -6.830 1.00 0.00 N ATOM 0 H ARG A 57 0.372 -10.627 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.743 -8.808 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.749 -8.601 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.346 -9.425 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.267 -7.612 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.844 -6.785 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.589 -6.823 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.978 -7.376 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 57 0.054 -4.787 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.256 -6.706 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.290 -5.331 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.157 -3.016 -6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.672 -3.256 -7.761 1.00 0.00 H new ATOM 550 N GLU A 58 -1.838 -11.283 -4.476 1.00 0.00 N ATOM 551 CA GLU A 58 -2.684 -11.965 -5.447 1.00 0.00 C ATOM 552 C GLU A 58 -4.022 -12.354 -4.828 1.00 0.00 C ATOM 553 O GLU A 58 -5.075 -12.161 -5.437 1.00 0.00 O ATOM 554 CB GLU A 58 -1.987 -13.209 -5.988 1.00 0.00 C ATOM 555 CG GLU A 58 -0.684 -12.914 -6.709 1.00 0.00 C ATOM 556 CD GLU A 58 -0.079 -14.153 -7.327 1.00 0.00 C ATOM 557 OE1 GLU A 58 -0.540 -14.559 -8.413 1.00 0.00 O ATOM 558 OE2 GLU A 58 0.855 -14.730 -6.734 1.00 0.00 O ATOM 0 H GLU A 58 -0.988 -11.791 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.867 -11.274 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.788 -13.891 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.662 -13.724 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.862 -12.172 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.026 -12.476 -6.007 1.00 0.00 H new ATOM 565 N LYS A 59 -3.978 -12.897 -3.613 1.00 0.00 N ATOM 566 CA LYS A 59 -5.195 -13.299 -2.914 1.00 0.00 C ATOM 567 C LYS A 59 -6.054 -12.091 -2.566 1.00 0.00 C ATOM 568 O LYS A 59 -7.276 -12.125 -2.707 1.00 0.00 O ATOM 569 CB LYS A 59 -4.858 -14.076 -1.640 1.00 0.00 C ATOM 570 CG LYS A 59 -4.380 -15.496 -1.898 1.00 0.00 C ATOM 571 CD LYS A 59 -5.435 -16.314 -2.628 1.00 0.00 C ATOM 572 CE LYS A 59 -6.706 -16.443 -1.805 1.00 0.00 C ATOM 573 NZ LYS A 59 -7.774 -17.173 -2.536 1.00 0.00 N ATOM 0 H LYS A 59 -3.116 -13.068 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.760 -13.946 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.087 -13.537 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.741 -14.110 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.464 -15.471 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.136 -15.977 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.665 -15.843 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.040 -17.306 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.483 -16.964 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.065 -15.450 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.379 -17.676 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.349 -16.496 -3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.342 -17.859 -3.188 1.00 0.00 H new ATOM 587 N LEU A 60 -5.409 -11.028 -2.113 1.00 0.00 N ATOM 588 CA LEU A 60 -6.112 -9.806 -1.757 1.00 0.00 C ATOM 589 C LEU A 60 -6.757 -9.183 -2.989 1.00 0.00 C ATOM 590 O LEU A 60 -7.901 -8.738 -2.938 1.00 0.00 O ATOM 591 CB LEU A 60 -5.150 -8.818 -1.095 1.00 0.00 C ATOM 592 CG LEU A 60 -4.529 -9.307 0.217 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.501 -8.313 0.726 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.607 -9.541 1.264 1.00 0.00 C ATOM 0 H LEU A 60 -4.398 -10.987 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.901 -10.051 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.348 -8.588 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.683 -7.887 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.025 -10.254 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.072 -8.679 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.711 -8.195 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.981 -7.350 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.147 -9.888 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.140 -8.609 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.308 -10.294 0.903 1.00 0.00 H new ATOM 606 N SER A 61 -6.025 -9.173 -4.098 1.00 0.00 N ATOM 607 CA SER A 61 -6.546 -8.646 -5.352 1.00 0.00 C ATOM 608 C SER A 61 -7.741 -9.468 -5.823 1.00 0.00 C ATOM 609 O SER A 61 -8.737 -8.919 -6.298 1.00 0.00 O ATOM 610 CB SER A 61 -5.456 -8.646 -6.429 1.00 0.00 C ATOM 611 OG SER A 61 -5.917 -8.042 -7.630 1.00 0.00 O ATOM 0 H SER A 61 -5.069 -9.524 -4.153 1.00 0.00 H new ATOM 0 HA SER A 61 -6.871 -7.620 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.580 -8.110 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.142 -9.670 -6.632 1.00 0.00 H new ATOM 0 HG SER A 61 -5.527 -7.147 -7.717 1.00 0.00 H new ATOM 617 N GLU A 62 -7.636 -10.784 -5.671 1.00 0.00 N ATOM 618 CA GLU A 62 -8.697 -11.699 -6.068 1.00 0.00 C ATOM 619 C GLU A 62 -9.999 -11.368 -5.344 1.00 0.00 C ATOM 620 O GLU A 62 -11.033 -11.146 -5.972 1.00 0.00 O ATOM 621 CB GLU A 62 -8.284 -13.141 -5.766 1.00 0.00 C ATOM 622 CG GLU A 62 -9.361 -14.164 -6.076 1.00 0.00 C ATOM 623 CD GLU A 62 -8.968 -15.565 -5.665 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.997 -15.864 -4.455 1.00 0.00 O ATOM 625 OE2 GLU A 62 -8.641 -16.381 -6.552 1.00 0.00 O ATOM 0 H GLU A 62 -6.817 -11.243 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.862 -11.589 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.391 -13.382 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.014 -13.219 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.281 -13.884 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.574 -14.149 -7.145 1.00 0.00 H new ATOM 632 N LEU A 63 -9.929 -11.314 -4.020 1.00 0.00 N ATOM 633 CA LEU A 63 -11.107 -11.075 -3.200 1.00 0.00 C ATOM 634 C LEU A 63 -11.607 -9.641 -3.362 1.00 0.00 C ATOM 635 O LEU A 63 -12.812 -9.387 -3.323 1.00 0.00 O ATOM 636 CB LEU A 63 -10.795 -11.367 -1.732 1.00 0.00 C ATOM 637 CG LEU A 63 -10.314 -12.792 -1.441 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.962 -12.947 0.030 1.00 0.00 C ATOM 639 CD2 LEU A 63 -11.373 -13.809 -1.846 1.00 0.00 C ATOM 0 H LEU A 63 -9.065 -11.433 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.897 -11.747 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.032 -10.666 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.690 -11.175 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.417 -12.977 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.622 -13.966 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.169 -12.246 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.842 -12.740 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.012 -14.815 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.289 -13.624 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.577 -13.717 -2.913 1.00 0.00 H new ATOM 651 N ALA A 64 -10.682 -8.708 -3.555 1.00 0.00 N ATOM 652 CA ALA A 64 -11.043 -7.309 -3.751 1.00 0.00 C ATOM 653 C ALA A 64 -11.818 -7.129 -5.050 1.00 0.00 C ATOM 654 O ALA A 64 -12.842 -6.445 -5.083 1.00 0.00 O ATOM 655 CB ALA A 64 -9.806 -6.422 -3.747 1.00 0.00 C ATOM 0 H ALA A 64 -9.679 -8.894 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.683 -7.009 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.102 -5.384 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.291 -6.520 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.137 -6.727 -4.552 1.00 0.00 H new ATOM 661 N ASP A 65 -11.337 -7.758 -6.116 1.00 0.00 N ATOM 662 CA ASP A 65 -11.994 -7.661 -7.414 1.00 0.00 C ATOM 663 C ASP A 65 -13.300 -8.446 -7.406 1.00 0.00 C ATOM 664 O ASP A 65 -14.269 -8.065 -8.064 1.00 0.00 O ATOM 665 CB ASP A 65 -11.080 -8.172 -8.529 1.00 0.00 C ATOM 666 CG ASP A 65 -11.613 -7.838 -9.909 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.281 -6.748 -10.427 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.350 -8.661 -10.489 1.00 0.00 O ATOM 0 H ASP A 65 -10.498 -8.338 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.213 -6.610 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.088 -7.737 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.968 -9.252 -8.437 1.00 0.00 H new ATOM 673 N ALA A 66 -13.323 -9.536 -6.639 1.00 0.00 N ATOM 674 CA ALA A 66 -14.534 -10.331 -6.467 1.00 0.00 C ATOM 675 C ALA A 66 -15.658 -9.474 -5.895 1.00 0.00 C ATOM 676 O ALA A 66 -16.833 -9.669 -6.217 1.00 0.00 O ATOM 677 CB ALA A 66 -14.264 -11.528 -5.567 1.00 0.00 C ATOM 0 H ALA A 66 -12.514 -9.887 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.845 -10.700 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.179 -12.109 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.492 -12.153 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.928 -11.180 -4.590 1.00 0.00 H new ATOM 683 N LYS A 67 -15.293 -8.520 -5.048 1.00 0.00 N ATOM 684 CA LYS A 67 -16.252 -7.557 -4.530 1.00 0.00 C ATOM 685 C LYS A 67 -16.455 -6.434 -5.542 1.00 0.00 C ATOM 686 O LYS A 67 -17.579 -5.994 -5.779 1.00 0.00 O ATOM 687 CB LYS A 67 -15.781 -6.984 -3.190 1.00 0.00 C ATOM 688 CG LYS A 67 -15.562 -8.039 -2.118 1.00 0.00 C ATOM 689 CD LYS A 67 -16.820 -8.861 -1.878 1.00 0.00 C ATOM 690 CE LYS A 67 -16.586 -9.953 -0.848 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.786 -10.812 -0.673 1.00 0.00 N ATOM 0 H LYS A 67 -14.340 -8.394 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.201 -8.067 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.851 -6.438 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.518 -6.264 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.747 -8.698 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.258 -7.557 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.624 -8.207 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.147 -9.309 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.740 -10.568 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.320 -9.501 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.588 -11.545 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.587 -10.229 -0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.025 -11.264 -1.579 1.00 0.00 H new ATOM 705 N GLY A 68 -15.361 -5.986 -6.143 1.00 0.00 N ATOM 706 CA GLY A 68 -15.441 -4.967 -7.169 1.00 0.00 C ATOM 707 C GLY A 68 -14.626 -3.733 -6.835 1.00 0.00 C ATOM 708 O GLY A 68 -14.904 -2.645 -7.341 1.00 0.00 O ATOM 0 H GLY A 68 -14.417 -6.312 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.093 -5.382 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.483 -4.681 -7.311 1.00 0.00 H new ATOM 712 N GLY A 69 -13.614 -3.903 -5.995 1.00 0.00 N ATOM 713 CA GLY A 69 -12.795 -2.779 -5.585 1.00 0.00 C ATOM 714 C GLY A 69 -11.469 -2.737 -6.316 1.00 0.00 C ATOM 715 O GLY A 69 -10.897 -3.779 -6.641 1.00 0.00 O ATOM 0 H GLY A 69 -13.345 -4.800 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.337 -1.851 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.614 -2.837 -4.512 1.00 0.00 H new ATOM 719 N LYS A 70 -10.993 -1.530 -6.600 1.00 0.00 N ATOM 720 CA LYS A 70 -9.704 -1.348 -7.256 1.00 0.00 C ATOM 721 C LYS A 70 -8.568 -1.336 -6.240 1.00 0.00 C ATOM 722 O LYS A 70 -7.422 -1.648 -6.567 1.00 0.00 O ATOM 723 CB LYS A 70 -9.692 -0.036 -8.045 1.00 0.00 C ATOM 724 CG LYS A 70 -10.748 0.037 -9.134 1.00 0.00 C ATOM 725 CD LYS A 70 -10.636 1.332 -9.923 1.00 0.00 C ATOM 726 CE LYS A 70 -11.590 1.348 -11.105 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.012 1.503 -10.696 1.00 0.00 N ATOM 0 H LYS A 70 -11.482 -0.661 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.556 -2.186 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.839 0.794 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.709 0.096 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.639 -0.813 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.740 -0.035 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.851 2.177 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.613 1.456 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.318 2.164 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.478 0.422 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.618 1.507 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.284 0.711 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.129 2.399 -10.181 1.00 0.00 H new ATOM 741 N TYR A 71 -8.889 -0.975 -5.005 1.00 0.00 N ATOM 742 CA TYR A 71 -7.880 -0.826 -3.971 1.00 0.00 C ATOM 743 C TYR A 71 -8.231 -1.664 -2.752 1.00 0.00 C ATOM 744 O TYR A 71 -9.348 -2.169 -2.628 1.00 0.00 O ATOM 745 CB TYR A 71 -7.757 0.643 -3.551 1.00 0.00 C ATOM 746 CG TYR A 71 -7.626 1.607 -4.709 1.00 0.00 C ATOM 747 CD1 TYR A 71 -6.403 1.819 -5.333 1.00 0.00 C ATOM 748 CD2 TYR A 71 -8.732 2.307 -5.176 1.00 0.00 C ATOM 749 CE1 TYR A 71 -6.288 2.702 -6.390 1.00 0.00 C ATOM 750 CE2 TYR A 71 -8.624 3.188 -6.232 1.00 0.00 C ATOM 751 CZ TYR A 71 -7.401 3.384 -6.835 1.00 0.00 C ATOM 752 OH TYR A 71 -7.294 4.262 -7.889 1.00 0.00 O ATOM 0 H TYR A 71 -9.842 -0.780 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.930 -1.168 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.633 0.916 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.889 0.753 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.530 1.286 -4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.692 2.159 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.331 2.857 -6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.494 3.722 -6.584 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.171 4.657 -8.076 1.00 0.00 H new ATOM 762 N TYR A 72 -7.272 -1.808 -1.857 1.00 0.00 N ATOM 763 CA TYR A 72 -7.495 -2.485 -0.595 1.00 0.00 C ATOM 764 C TYR A 72 -6.519 -1.958 0.448 1.00 0.00 C ATOM 765 O TYR A 72 -5.563 -1.253 0.115 1.00 0.00 O ATOM 766 CB TYR A 72 -7.350 -4.006 -0.750 1.00 0.00 C ATOM 767 CG TYR A 72 -5.981 -4.452 -1.209 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.687 -4.578 -2.559 1.00 0.00 C ATOM 769 CD2 TYR A 72 -4.982 -4.746 -0.290 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.439 -4.984 -2.980 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.731 -5.150 -0.704 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.465 -5.267 -2.050 1.00 0.00 C ATOM 773 OH TYR A 72 -2.219 -5.665 -2.466 1.00 0.00 O ATOM 0 H TYR A 72 -6.321 -1.461 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.514 -2.282 -0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.573 -4.481 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.094 -4.360 -1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.448 -4.354 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.189 -4.657 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.227 -5.080 -4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.964 -5.373 0.023 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.649 -5.824 -1.685 1.00 0.00 H new ATOM 783 N HIS A 73 -6.766 -2.289 1.701 1.00 0.00 N ATOM 784 CA HIS A 73 -5.902 -1.865 2.790 1.00 0.00 C ATOM 785 C HIS A 73 -5.813 -2.955 3.848 1.00 0.00 C ATOM 786 O HIS A 73 -6.816 -3.305 4.466 1.00 0.00 O ATOM 787 CB HIS A 73 -6.434 -0.565 3.409 1.00 0.00 C ATOM 788 CG HIS A 73 -5.614 -0.060 4.558 1.00 0.00 C ATOM 789 ND1 HIS A 73 -4.427 0.616 4.395 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.814 -0.146 5.894 1.00 0.00 C ATOM 791 CE1 HIS A 73 -3.931 0.921 5.578 1.00 0.00 C ATOM 792 NE2 HIS A 73 -4.753 0.472 6.507 1.00 0.00 N ATOM 0 H HIS A 73 -7.563 -2.854 1.993 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.903 -1.683 2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.473 0.204 2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.457 -0.728 3.749 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.998 0.845 3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.653 -0.614 6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.006 1.450 5.757 1.00 0.00 H new ATOM 801 N ILE A 74 -4.618 -3.492 4.045 1.00 0.00 N ATOM 802 CA ILE A 74 -4.402 -4.511 5.062 1.00 0.00 C ATOM 803 C ILE A 74 -4.487 -3.881 6.448 1.00 0.00 C ATOM 804 O ILE A 74 -3.834 -2.874 6.721 1.00 0.00 O ATOM 805 CB ILE A 74 -3.033 -5.205 4.894 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.872 -5.723 3.462 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.892 -6.349 5.890 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.524 -6.358 3.193 1.00 0.00 C ATOM 0 H ILE A 74 -3.784 -3.240 3.515 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.179 -5.267 4.946 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.247 -4.475 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.655 -6.454 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.020 -4.896 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.922 -6.828 5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.970 -5.959 6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.683 -7.079 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.483 -6.701 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.736 -5.625 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.381 -7.206 3.863 1.00 0.00 H new ATOM 820 N ILE A 75 -5.314 -4.454 7.309 1.00 0.00 N ATOM 821 CA ILE A 75 -5.528 -3.892 8.637 1.00 0.00 C ATOM 822 C ILE A 75 -5.041 -4.829 9.733 1.00 0.00 C ATOM 823 O ILE A 75 -4.694 -4.385 10.826 1.00 0.00 O ATOM 824 CB ILE A 75 -7.016 -3.564 8.877 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.880 -4.815 8.683 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.459 -2.450 7.945 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.349 -4.602 8.976 1.00 0.00 C ATOM 0 H ILE A 75 -5.846 -5.303 7.115 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.946 -2.971 8.678 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.141 -3.225 9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.772 -5.162 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.503 -5.608 9.329 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.511 -2.225 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.861 -1.559 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.324 -2.766 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.891 -5.534 8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.471 -4.285 10.012 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.745 -3.833 8.312 1.00 0.00 H new ATOM 839 N ALA A 76 -5.018 -6.123 9.448 1.00 0.00 N ATOM 840 CA ALA A 76 -4.604 -7.105 10.437 1.00 0.00 C ATOM 841 C ALA A 76 -4.006 -8.333 9.772 1.00 0.00 C ATOM 842 O ALA A 76 -4.723 -9.238 9.361 1.00 0.00 O ATOM 843 CB ALA A 76 -5.779 -7.500 11.321 1.00 0.00 C ATOM 0 H ALA A 76 -5.280 -6.515 8.544 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.835 -6.650 11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.451 -8.236 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.159 -6.618 11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.569 -7.930 10.705 1.00 0.00 H new ATOM 849 N ALA A 77 -2.692 -8.347 9.646 1.00 0.00 N ATOM 850 CA ALA A 77 -1.996 -9.498 9.092 1.00 0.00 C ATOM 851 C ALA A 77 -1.220 -10.199 10.192 1.00 0.00 C ATOM 852 O ALA A 77 -0.165 -9.726 10.616 1.00 0.00 O ATOM 853 CB ALA A 77 -1.067 -9.078 7.961 1.00 0.00 C ATOM 0 H ALA A 77 -2.083 -7.575 9.919 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.730 -10.189 8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.558 -9.956 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.648 -8.606 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.329 -8.371 8.340 1.00 0.00 H new ATOM 859 N ARG A 78 -1.749 -11.314 10.666 1.00 0.00 N ATOM 860 CA ARG A 78 -1.147 -12.015 11.788 1.00 0.00 C ATOM 861 C ARG A 78 -1.033 -13.507 11.510 1.00 0.00 C ATOM 862 O ARG A 78 -1.856 -14.086 10.798 1.00 0.00 O ATOM 863 CB ARG A 78 -1.970 -11.783 13.059 1.00 0.00 C ATOM 864 CG ARG A 78 -3.422 -12.219 12.934 1.00 0.00 C ATOM 865 CD ARG A 78 -4.198 -12.002 14.224 1.00 0.00 C ATOM 866 NE ARG A 78 -4.228 -10.595 14.627 1.00 0.00 N ATOM 867 CZ ARG A 78 -5.276 -9.790 14.445 1.00 0.00 C ATOM 868 NH1 ARG A 78 -6.383 -10.254 13.873 1.00 0.00 N ATOM 869 NH2 ARG A 78 -5.222 -8.528 14.858 1.00 0.00 N ATOM 0 H ARG A 78 -2.591 -11.752 10.293 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.142 -11.618 11.931 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.507 -12.323 13.885 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.938 -10.724 13.314 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.899 -11.663 12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.461 -13.274 12.661 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.219 -12.362 14.096 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.748 -12.596 15.020 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.397 -10.207 15.074 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.432 -11.227 13.572 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.183 -9.637 13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.380 -8.176 15.313 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.023 -7.911 14.719 1.00 0.00 H new ATOM 883 N GLU A 79 0.001 -14.117 12.060 1.00 0.00 N ATOM 884 CA GLU A 79 0.160 -15.556 11.987 1.00 0.00 C ATOM 885 C GLU A 79 -0.438 -16.199 13.231 1.00 0.00 C ATOM 886 O GLU A 79 0.147 -16.157 14.315 1.00 0.00 O ATOM 887 CB GLU A 79 1.636 -15.924 11.824 1.00 0.00 C ATOM 888 CG GLU A 79 2.216 -15.453 10.500 1.00 0.00 C ATOM 889 CD GLU A 79 3.698 -15.717 10.366 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.496 -14.841 10.753 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.076 -16.787 9.846 1.00 0.00 O ATOM 0 H GLU A 79 0.745 -13.635 12.564 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.371 -15.935 11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.208 -15.486 12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.747 -17.006 11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.691 -15.950 9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.034 -14.384 10.392 1.00 0.00 H new ATOM 898 N HIS A 80 -1.627 -16.758 13.065 1.00 0.00 N ATOM 899 CA HIS A 80 -2.376 -17.346 14.167 1.00 0.00 C ATOM 900 C HIS A 80 -1.783 -18.703 14.535 1.00 0.00 C ATOM 901 O HIS A 80 -2.322 -19.746 14.166 1.00 0.00 O ATOM 902 CB HIS A 80 -3.843 -17.499 13.758 1.00 0.00 C ATOM 903 CG HIS A 80 -4.808 -17.622 14.900 1.00 0.00 C ATOM 904 ND1 HIS A 80 -5.776 -16.679 15.156 1.00 0.00 N ATOM 905 CD2 HIS A 80 -4.974 -18.590 15.830 1.00 0.00 C ATOM 906 CE1 HIS A 80 -6.495 -17.059 16.194 1.00 0.00 C ATOM 907 NE2 HIS A 80 -6.032 -18.216 16.622 1.00 0.00 N ATOM 0 H HIS A 80 -2.100 -16.817 12.163 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.314 -16.694 15.038 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.128 -16.639 13.152 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.938 -18.381 13.124 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.916 -15.819 14.625 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.385 -19.489 15.931 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.324 -16.514 16.621 1.00 0.00 H new ATOM 916 N GLY A 81 -0.655 -18.677 15.229 1.00 0.00 N ATOM 917 CA GLY A 81 0.037 -19.902 15.560 1.00 0.00 C ATOM 918 C GLY A 81 0.731 -20.475 14.343 1.00 0.00 C ATOM 919 O GLY A 81 1.584 -19.815 13.750 1.00 0.00 O ATOM 0 H GLY A 81 -0.207 -17.826 15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.769 -19.710 16.345 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.672 -20.629 15.956 1.00 0.00 H new ATOM 923 N PRO A 82 0.374 -21.699 13.937 1.00 0.00 N ATOM 924 CA PRO A 82 0.886 -22.298 12.709 1.00 0.00 C ATOM 925 C PRO A 82 0.087 -21.851 11.484 1.00 0.00 C ATOM 926 O PRO A 82 0.413 -22.200 10.352 1.00 0.00 O ATOM 927 CB PRO A 82 0.691 -23.791 12.959 1.00 0.00 C ATOM 928 CG PRO A 82 -0.524 -23.869 13.822 1.00 0.00 C ATOM 929 CD PRO A 82 -0.542 -22.609 14.653 1.00 0.00 C ATOM 0 HA PRO A 82 1.917 -22.014 12.498 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.550 -24.335 12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.558 -24.227 13.454 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.426 -23.946 13.215 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.491 -24.753 14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.546 -22.191 14.723 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.203 -22.797 15.672 1.00 0.00 H new ATOM 937 N ASN A 83 -0.963 -21.076 11.727 1.00 0.00 N ATOM 938 CA ASN A 83 -1.861 -20.642 10.667 1.00 0.00 C ATOM 939 C ASN A 83 -1.568 -19.192 10.292 1.00 0.00 C ATOM 940 O ASN A 83 -0.814 -18.513 10.983 1.00 0.00 O ATOM 941 CB ASN A 83 -3.312 -20.797 11.136 1.00 0.00 C ATOM 942 CG ASN A 83 -4.243 -21.245 10.029 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.351 -22.440 9.753 1.00 0.00 O ATOM 944 ND2 ASN A 83 -4.956 -20.313 9.422 1.00 0.00 N ATOM 0 H ASN A 83 -1.213 -20.734 12.655 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.707 -21.260 9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.350 -21.520 11.951 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.663 -19.846 11.537 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.624 -20.574 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.838 -19.333 9.679 1.00 0.00 H new ATOM 951 N PHE A 84 -2.148 -18.722 9.198 1.00 0.00 N ATOM 952 CA PHE A 84 -1.949 -17.344 8.767 1.00 0.00 C ATOM 953 C PHE A 84 -3.282 -16.704 8.410 1.00 0.00 C ATOM 954 O PHE A 84 -4.078 -17.293 7.683 1.00 0.00 O ATOM 955 CB PHE A 84 -0.996 -17.284 7.566 1.00 0.00 C ATOM 956 CG PHE A 84 -0.774 -15.891 7.043 1.00 0.00 C ATOM 957 CD1 PHE A 84 -0.068 -14.962 7.787 1.00 0.00 C ATOM 958 CD2 PHE A 84 -1.276 -15.512 5.810 1.00 0.00 C ATOM 959 CE1 PHE A 84 0.135 -13.681 7.313 1.00 0.00 C ATOM 960 CE2 PHE A 84 -1.076 -14.232 5.328 1.00 0.00 C ATOM 961 CZ PHE A 84 -0.369 -13.315 6.081 1.00 0.00 C ATOM 0 H PHE A 84 -2.759 -19.271 8.593 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.501 -16.789 9.592 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.036 -17.713 7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.396 -17.905 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.330 -15.243 8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.830 -16.225 5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.687 -12.966 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.472 -13.949 4.364 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.211 -12.314 5.707 1.00 0.00 H new ATOM 971 N GLU A 85 -3.519 -15.507 8.927 1.00 0.00 N ATOM 972 CA GLU A 85 -4.752 -14.781 8.655 1.00 0.00 C ATOM 973 C GLU A 85 -4.473 -13.299 8.412 1.00 0.00 C ATOM 974 O GLU A 85 -4.030 -12.574 9.307 1.00 0.00 O ATOM 975 CB GLU A 85 -5.752 -14.969 9.803 1.00 0.00 C ATOM 976 CG GLU A 85 -5.103 -15.049 11.174 1.00 0.00 C ATOM 977 CD GLU A 85 -6.106 -15.246 12.295 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.050 -16.046 12.124 1.00 0.00 O ATOM 979 OE2 GLU A 85 -5.940 -14.627 13.367 1.00 0.00 O ATOM 0 H GLU A 85 -2.870 -15.015 9.541 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.194 -15.190 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.461 -14.141 9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.324 -15.880 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.389 -15.872 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.538 -14.135 11.356 1.00 0.00 H new ATOM 986 N ALA A 86 -4.717 -12.865 7.185 1.00 0.00 N ATOM 987 CA ALA A 86 -4.520 -11.476 6.808 1.00 0.00 C ATOM 988 C ALA A 86 -5.850 -10.821 6.464 1.00 0.00 C ATOM 989 O ALA A 86 -6.492 -11.172 5.474 1.00 0.00 O ATOM 990 CB ALA A 86 -3.558 -11.376 5.632 1.00 0.00 C ATOM 0 H ALA A 86 -5.054 -13.461 6.429 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.086 -10.947 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.421 -10.329 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.597 -11.808 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.967 -11.920 4.780 1.00 0.00 H new ATOM 996 N VAL A 87 -6.267 -9.887 7.300 1.00 0.00 N ATOM 997 CA VAL A 87 -7.514 -9.167 7.097 1.00 0.00 C ATOM 998 C VAL A 87 -7.251 -7.827 6.416 1.00 0.00 C ATOM 999 O VAL A 87 -6.376 -7.062 6.840 1.00 0.00 O ATOM 1000 CB VAL A 87 -8.245 -8.925 8.436 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.631 -8.348 8.200 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -8.328 -10.211 9.245 1.00 0.00 C ATOM 0 H VAL A 87 -5.754 -9.606 8.136 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.148 -9.782 6.459 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.669 -8.198 9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.126 -8.186 9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.545 -7.399 7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.218 -9.045 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.847 -10.017 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.875 -10.964 8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.322 -10.575 9.454 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.003 -7.553 5.361 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.862 -6.319 4.607 1.00 0.00 C ATOM 1014 C ALA A 88 -9.231 -5.761 4.238 1.00 0.00 C ATOM 1015 O ALA A 88 -10.204 -6.503 4.120 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.026 -6.555 3.356 1.00 0.00 C ATOM 0 H ALA A 88 -8.726 -8.178 5.005 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.350 -5.587 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.929 -5.622 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.036 -6.912 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.513 -7.301 2.728 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.304 -4.455 4.069 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.548 -3.805 3.695 1.00 0.00 C ATOM 1024 C GLU A 89 -10.528 -3.459 2.210 1.00 0.00 C ATOM 1025 O GLU A 89 -9.521 -2.972 1.697 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.758 -2.544 4.539 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.743 -2.813 6.035 1.00 0.00 C ATOM 1028 CD GLU A 89 -10.950 -1.565 6.870 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -9.990 -0.787 7.037 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -12.067 -1.368 7.383 1.00 0.00 O ATOM 0 H GLU A 89 -8.514 -3.820 4.185 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.377 -4.487 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.979 -1.821 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.710 -2.088 4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.523 -3.536 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.791 -3.269 6.306 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.633 -3.723 1.527 1.00 0.00 N ATOM 1038 CA VAL A 90 -11.740 -3.461 0.098 1.00 0.00 C ATOM 1039 C VAL A 90 -12.212 -2.037 -0.147 1.00 0.00 C ATOM 1040 O VAL A 90 -13.279 -1.643 0.321 1.00 0.00 O ATOM 1041 CB VAL A 90 -12.720 -4.440 -0.589 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -12.893 -4.101 -2.068 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.250 -5.876 -0.419 1.00 0.00 C ATOM 0 H VAL A 90 -12.475 -4.122 1.943 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.747 -3.602 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.692 -4.335 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.588 -4.806 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.287 -3.089 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.928 -4.165 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.953 -6.549 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.264 -5.992 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.196 -6.118 0.642 1.00 0.00 H new ATOM 1053 N TYR A 91 -11.419 -1.276 -0.881 1.00 0.00 N ATOM 1054 CA TYR A 91 -11.753 0.106 -1.167 1.00 0.00 C ATOM 1055 C TYR A 91 -11.931 0.325 -2.658 1.00 0.00 C ATOM 1056 O TYR A 91 -11.128 -0.125 -3.473 1.00 0.00 O ATOM 1057 CB TYR A 91 -10.687 1.043 -0.609 1.00 0.00 C ATOM 1058 CG TYR A 91 -10.811 1.247 0.880 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -11.741 2.140 1.389 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.014 0.543 1.774 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -11.875 2.330 2.749 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -10.144 0.727 3.136 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.076 1.622 3.618 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.209 1.809 4.972 1.00 0.00 O ATOM 0 H TYR A 91 -10.540 -1.593 -1.289 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.700 0.333 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.700 0.639 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.759 2.008 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.371 2.696 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.283 -0.158 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.603 3.031 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.519 0.173 3.821 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.573 1.234 5.446 1.00 0.00 H new ATOM 1074 N ASN A 92 -12.998 1.010 -3.006 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.305 1.273 -4.396 1.00 0.00 C ATOM 1076 C ASN A 92 -13.601 2.754 -4.593 1.00 0.00 C ATOM 1077 O ASN A 92 -13.781 3.496 -3.623 1.00 0.00 O ATOM 1078 CB ASN A 92 -14.493 0.409 -4.828 1.00 0.00 C ATOM 1079 CG ASN A 92 -14.775 0.467 -6.315 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -13.885 0.734 -7.126 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.013 0.185 -6.681 1.00 0.00 N ATOM 0 H ASN A 92 -13.670 1.397 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.447 1.017 -5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.302 -0.626 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.382 0.730 -4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.265 0.182 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.717 -0.030 -5.975 1.00 0.00 H new ATOM 1088 N ASP A 93 -13.632 3.170 -5.850 1.00 0.00 N ATOM 1089 CA ASP A 93 -13.888 4.554 -6.217 1.00 0.00 C ATOM 1090 C ASP A 93 -15.268 5.000 -5.738 1.00 0.00 C ATOM 1091 O ASP A 93 -16.235 4.234 -5.797 1.00 0.00 O ATOM 1092 CB ASP A 93 -13.763 4.702 -7.733 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.052 6.103 -8.221 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -13.661 7.071 -7.542 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.675 6.232 -9.293 1.00 0.00 O ATOM 0 H ASP A 93 -13.479 2.553 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.152 5.195 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.755 4.419 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.449 4.007 -8.217 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.352 6.253 -5.301 1.00 0.00 N ATOM 1101 CA ALA A 94 -16.533 6.779 -4.613 1.00 0.00 C ATOM 1102 C ALA A 94 -17.742 6.932 -5.533 1.00 0.00 C ATOM 1103 O ALA A 94 -18.833 7.275 -5.079 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.199 8.116 -3.968 1.00 0.00 C ATOM 0 H ALA A 94 -14.603 6.936 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.808 6.050 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.080 8.504 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.392 7.981 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.885 8.822 -4.736 1.00 0.00 H new ATOM 1290 N ALA B 22 8.022 -0.122 -8.495 1.00 0.00 N ATOM 1291 CA ALA B 22 7.970 -0.146 -7.017 1.00 0.00 C ATOM 1292 C ALA B 22 6.529 -0.061 -6.540 1.00 0.00 C ATOM 1293 O ALA B 22 5.782 0.827 -6.953 1.00 0.00 O ATOM 1294 CB ALA B 22 8.790 0.996 -6.439 1.00 0.00 C ATOM 0 HA ALA B 22 8.396 -1.087 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.741 0.964 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.827 0.897 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.390 1.946 -6.792 1.00 0.00 H new ATOM 1302 N GLU B 23 6.146 -0.982 -5.669 1.00 0.00 N ATOM 1303 CA GLU B 23 4.772 -1.063 -5.191 1.00 0.00 C ATOM 1304 C GLU B 23 4.685 -0.549 -3.760 1.00 0.00 C ATOM 1305 O GLU B 23 5.712 -0.292 -3.128 1.00 0.00 O ATOM 1306 CB GLU B 23 4.257 -2.508 -5.257 1.00 0.00 C ATOM 1307 CG GLU B 23 4.103 -3.067 -6.669 1.00 0.00 C ATOM 1308 CD GLU B 23 5.422 -3.248 -7.398 1.00 0.00 C ATOM 1309 OE1 GLU B 23 6.183 -4.168 -7.045 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.699 -2.473 -8.339 1.00 0.00 O ATOM 0 H GLU B 23 6.770 -1.687 -5.277 1.00 0.00 H new ATOM 0 HA GLU B 23 4.149 -0.442 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU B 23 4.941 -3.149 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU B 23 3.291 -2.558 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.592 -4.028 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU B 23 3.466 -2.398 -7.248 1.00 0.00 H new ATOM 1317 N GLN B 24 3.471 -0.398 -3.243 1.00 0.00 N ATOM 1318 CA GLN B 24 3.301 0.059 -1.872 1.00 0.00 C ATOM 1319 C GLN B 24 2.903 -1.090 -0.958 1.00 0.00 C ATOM 1320 O GLN B 24 2.040 -1.901 -1.295 1.00 0.00 O ATOM 1321 CB GLN B 24 2.264 1.185 -1.761 1.00 0.00 C ATOM 1322 CG GLN B 24 2.090 1.665 -0.325 1.00 0.00 C ATOM 1323 CD GLN B 24 1.180 2.869 -0.172 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.388 3.690 0.720 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.156 2.970 -1.002 1.00 0.00 N ATOM 0 H GLN B 24 2.602 -0.583 -3.745 1.00 0.00 H new ATOM 0 HA GLN B 24 4.266 0.454 -1.555 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.570 2.022 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.306 0.834 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN B 24 1.692 0.846 0.273 1.00 0.00 H new ATOM 0 HG3 GLN B 24 3.070 1.911 0.084 1.00 0.00 H new ATOM 0 HE21 GLN B 24 0.018 2.268 -1.729 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.496 3.750 -0.915 1.00 0.00 H new ATOM 1334 N VAL B 25 3.555 -1.151 0.191 1.00 0.00 N ATOM 1335 CA VAL B 25 3.206 -2.094 1.240 1.00 0.00 C ATOM 1336 C VAL B 25 2.969 -1.325 2.532 1.00 0.00 C ATOM 1337 O VAL B 25 3.456 -0.200 2.680 1.00 0.00 O ATOM 1338 CB VAL B 25 4.313 -3.151 1.463 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.465 -4.045 0.244 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.641 -2.486 1.802 1.00 0.00 C ATOM 0 H VAL B 25 4.343 -0.546 0.423 1.00 0.00 H new ATOM 0 HA VAL B 25 2.304 -2.625 0.934 1.00 0.00 H new ATOM 0 HB VAL B 25 4.014 -3.771 2.308 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.250 -4.779 0.427 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.524 -4.560 0.051 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.731 -3.438 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.403 -3.251 1.954 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.941 -1.833 0.982 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.531 -1.897 2.713 1.00 0.00 H new ATOM 1350 N SER B 26 2.232 -1.905 3.461 1.00 0.00 N ATOM 1351 CA SER B 26 1.964 -1.237 4.713 1.00 0.00 C ATOM 1352 C SER B 26 3.092 -1.530 5.695 1.00 0.00 C ATOM 1353 O SER B 26 3.914 -2.427 5.470 1.00 0.00 O ATOM 1354 CB SER B 26 0.607 -1.674 5.281 1.00 0.00 C ATOM 1355 OG SER B 26 0.250 -0.907 6.421 1.00 0.00 O ATOM 0 H SER B 26 1.813 -2.830 3.370 1.00 0.00 H new ATOM 0 HA SER B 26 1.917 -0.161 4.544 1.00 0.00 H new ATOM 0 HB2 SER B 26 -0.161 -1.568 4.515 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.646 -2.730 5.549 1.00 0.00 H new ATOM 0 HG SER B 26 -0.619 -1.208 6.759 1.00 0.00 H new ATOM 1361 N LYS B 27 3.124 -0.781 6.792 1.00 0.00 N ATOM 1362 CA LYS B 27 4.187 -0.909 7.780 1.00 0.00 C ATOM 1363 C LYS B 27 4.134 -2.290 8.438 1.00 0.00 C ATOM 1364 O LYS B 27 5.054 -2.694 9.155 1.00 0.00 O ATOM 1365 CB LYS B 27 4.057 0.207 8.821 1.00 0.00 C ATOM 1366 CG LYS B 27 5.382 0.670 9.403 1.00 0.00 C ATOM 1367 CD LYS B 27 5.208 1.952 10.204 1.00 0.00 C ATOM 1368 CE LYS B 27 6.532 2.486 10.729 1.00 0.00 C ATOM 1369 NZ LYS B 27 7.490 2.805 9.635 1.00 0.00 N ATOM 0 H LYS B 27 2.422 -0.076 7.019 1.00 0.00 H new ATOM 0 HA LYS B 27 5.155 -0.811 7.288 1.00 0.00 H new ATOM 0 HB2 LYS B 27 3.556 1.060 8.363 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.418 -0.140 9.632 1.00 0.00 H new ATOM 0 HG2 LYS B 27 5.794 -0.110 10.043 1.00 0.00 H new ATOM 0 HG3 LYS B 27 6.099 0.834 8.599 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.736 2.709 9.577 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.535 1.767 11.041 1.00 0.00 H new ATOM 0 HE2 LYS B 27 6.350 3.383 11.321 1.00 0.00 H new ATOM 0 HE3 LYS B 27 6.979 1.749 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 8.271 3.378 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 7.869 1.922 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 7.000 3.338 8.889 1.00 0.00 H new ATOM 1383 N GLN B 28 3.050 -3.011 8.164 1.00 0.00 N ATOM 1384 CA GLN B 28 2.892 -4.381 8.615 1.00 0.00 C ATOM 1385 C GLN B 28 3.790 -5.315 7.812 1.00 0.00 C ATOM 1386 O GLN B 28 4.556 -6.089 8.385 1.00 0.00 O ATOM 1387 CB GLN B 28 1.435 -4.822 8.471 1.00 0.00 C ATOM 1388 CG GLN B 28 0.475 -4.070 9.373 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.968 -4.476 9.146 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -1.888 -3.688 9.356 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.176 -5.706 8.706 1.00 0.00 N ATOM 0 H GLN B 28 2.260 -2.658 7.624 1.00 0.00 H new ATOM 0 HA GLN B 28 3.179 -4.430 9.665 1.00 0.00 H new ATOM 0 HB2 GLN B 28 1.125 -4.688 7.435 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.365 -5.888 8.689 1.00 0.00 H new ATOM 0 HG2 GLN B 28 0.741 -4.251 10.414 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.580 -2.999 9.199 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.386 -6.330 8.544 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -2.127 -6.030 8.529 1.00 0.00 H new ATOM 1400 N GLU B 29 3.705 -5.231 6.484 1.00 0.00 N ATOM 1401 CA GLU B 29 4.492 -6.104 5.618 1.00 0.00 C ATOM 1402 C GLU B 29 5.966 -5.785 5.772 1.00 0.00 C ATOM 1403 O GLU B 29 6.808 -6.683 5.796 1.00 0.00 O ATOM 1404 CB GLU B 29 4.094 -5.960 4.143 1.00 0.00 C ATOM 1405 CG GLU B 29 2.621 -6.209 3.861 1.00 0.00 C ATOM 1406 CD GLU B 29 1.802 -4.939 3.924 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.575 -4.430 5.038 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.400 -4.437 2.856 1.00 0.00 O ATOM 0 H GLU B 29 3.104 -4.572 5.989 1.00 0.00 H new ATOM 0 HA GLU B 29 4.294 -7.132 5.922 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.351 -4.955 3.807 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.687 -6.656 3.550 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.513 -6.660 2.874 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.231 -6.926 4.583 1.00 0.00 H new ATOM 1415 N ILE B 30 6.258 -4.500 5.901 1.00 0.00 N ATOM 1416 CA ILE B 30 7.621 -4.029 6.078 1.00 0.00 C ATOM 1417 C ILE B 30 8.302 -4.737 7.246 1.00 0.00 C ATOM 1418 O ILE B 30 9.399 -5.275 7.106 1.00 0.00 O ATOM 1419 CB ILE B 30 7.651 -2.506 6.315 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.072 -1.773 5.102 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.070 -2.038 6.602 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.957 -0.276 5.286 1.00 0.00 C ATOM 0 H ILE B 30 5.559 -3.757 5.886 1.00 0.00 H new ATOM 0 HA ILE B 30 8.164 -4.259 5.161 1.00 0.00 H new ATOM 0 HB ILE B 30 7.036 -2.274 7.185 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.700 -1.975 4.234 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.085 -2.179 4.882 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.071 -0.961 6.767 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.446 -2.542 7.492 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.710 -2.276 5.753 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.539 0.170 4.384 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.304 -0.063 6.133 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.945 0.144 5.474 1.00 0.00 H new ATOM 1434 N SER B 31 7.641 -4.758 8.389 1.00 0.00 N ATOM 1435 CA SER B 31 8.222 -5.353 9.578 1.00 0.00 C ATOM 1436 C SER B 31 8.115 -6.876 9.539 1.00 0.00 C ATOM 1437 O SER B 31 9.065 -7.580 9.885 1.00 0.00 O ATOM 1438 CB SER B 31 7.534 -4.801 10.823 1.00 0.00 C ATOM 1439 OG SER B 31 7.460 -3.384 10.768 1.00 0.00 O ATOM 0 H SER B 31 6.706 -4.372 8.519 1.00 0.00 H new ATOM 0 HA SER B 31 9.280 -5.094 9.611 1.00 0.00 H new ATOM 0 HB2 SER B 31 6.531 -5.220 10.906 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.082 -5.107 11.714 1.00 0.00 H new ATOM 0 HG SER B 31 6.678 -3.117 10.241 1.00 0.00 H new ATOM 1445 N HIS B 32 6.970 -7.381 9.086 1.00 0.00 N ATOM 1446 CA HIS B 32 6.716 -8.820 9.079 1.00 0.00 C ATOM 1447 C HIS B 32 7.662 -9.552 8.129 1.00 0.00 C ATOM 1448 O HIS B 32 8.153 -10.633 8.446 1.00 0.00 O ATOM 1449 CB HIS B 32 5.265 -9.118 8.693 1.00 0.00 C ATOM 1450 CG HIS B 32 4.919 -10.575 8.753 1.00 0.00 C ATOM 1451 ND1 HIS B 32 4.746 -11.358 7.632 1.00 0.00 N ATOM 1452 CD2 HIS B 32 4.722 -11.393 9.814 1.00 0.00 C ATOM 1453 CE1 HIS B 32 4.462 -12.593 8.002 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.441 -12.641 9.320 1.00 0.00 N ATOM 0 H HIS B 32 6.204 -6.816 8.719 1.00 0.00 H new ATOM 0 HA HIS B 32 6.896 -9.182 10.091 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.600 -8.567 9.358 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.083 -8.750 7.683 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.776 -11.114 10.856 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.278 -13.424 7.337 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.247 -13.471 9.880 1.00 0.00 H new ATOM 1463 N PHE B 33 7.901 -8.973 6.962 1.00 0.00 N ATOM 1464 CA PHE B 33 8.795 -9.585 5.989 1.00 0.00 C ATOM 1465 C PHE B 33 10.211 -9.048 6.162 1.00 0.00 C ATOM 1466 O PHE B 33 11.157 -9.552 5.553 1.00 0.00 O ATOM 1467 CB PHE B 33 8.288 -9.352 4.563 1.00 0.00 C ATOM 1468 CG PHE B 33 6.946 -9.986 4.303 1.00 0.00 C ATOM 1469 CD1 PHE B 33 6.835 -11.355 4.124 1.00 0.00 C ATOM 1470 CD2 PHE B 33 5.798 -9.212 4.243 1.00 0.00 C ATOM 1471 CE1 PHE B 33 5.605 -11.941 3.891 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.565 -9.793 4.008 1.00 0.00 C ATOM 1473 CZ PHE B 33 4.469 -11.158 3.832 1.00 0.00 C ATOM 0 H PHE B 33 7.492 -8.087 6.666 1.00 0.00 H new ATOM 0 HA PHE B 33 8.814 -10.661 6.163 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.219 -8.280 4.379 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.015 -9.751 3.855 1.00 0.00 H new ATOM 0 HD1 PHE B 33 7.720 -11.972 4.167 1.00 0.00 H new ATOM 0 HD2 PHE B 33 5.867 -8.143 4.381 1.00 0.00 H new ATOM 0 HE1 PHE B 33 5.532 -13.010 3.755 1.00 0.00 H new ATOM 0 HE2 PHE B 33 3.678 -9.179 3.962 1.00 0.00 H new ATOM 0 HZ PHE B 33 3.507 -11.613 3.648 1.00 0.00 H new ATOM 1483 N LYS B 34 10.330 -8.017 7.001 1.00 0.00 N ATOM 1484 CA LYS B 34 11.619 -7.469 7.420 1.00 0.00 C ATOM 1485 C LYS B 34 12.311 -6.741 6.267 1.00 0.00 C ATOM 1486 O LYS B 34 13.139 -7.313 5.560 1.00 0.00 O ATOM 1487 CB LYS B 34 12.516 -8.579 7.983 1.00 0.00 C ATOM 1488 CG LYS B 34 13.657 -8.094 8.870 1.00 0.00 C ATOM 1489 CD LYS B 34 13.193 -7.767 10.288 1.00 0.00 C ATOM 1490 CE LYS B 34 12.694 -6.338 10.425 1.00 0.00 C ATOM 1491 NZ LYS B 34 12.411 -5.993 11.842 1.00 0.00 N ATOM 0 H LYS B 34 9.529 -7.537 7.411 1.00 0.00 H new ATOM 0 HA LYS B 34 11.437 -6.740 8.209 1.00 0.00 H new ATOM 0 HB2 LYS B 34 11.898 -9.270 8.556 1.00 0.00 H new ATOM 0 HB3 LYS B 34 12.937 -9.143 7.151 1.00 0.00 H new ATOM 0 HG2 LYS B 34 14.432 -8.859 8.912 1.00 0.00 H new ATOM 0 HG3 LYS B 34 14.108 -7.207 8.425 1.00 0.00 H new ATOM 0 HD2 LYS B 34 12.397 -8.455 10.573 1.00 0.00 H new ATOM 0 HD3 LYS B 34 14.018 -7.928 10.982 1.00 0.00 H new ATOM 0 HE2 LYS B 34 13.440 -5.651 10.024 1.00 0.00 H new ATOM 0 HE3 LYS B 34 11.790 -6.209 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 12.073 -5.011 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 11.682 -6.633 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 13.280 -6.093 12.404 1.00 0.00 H new ATOM 1505 N LEU B 35 11.943 -5.482 6.076 1.00 0.00 N ATOM 1506 CA LEU B 35 12.499 -4.667 5.005 1.00 0.00 C ATOM 1507 C LEU B 35 13.406 -3.576 5.569 1.00 0.00 C ATOM 1508 O LEU B 35 13.218 -3.119 6.700 1.00 0.00 O ATOM 1509 CB LEU B 35 11.372 -4.031 4.184 1.00 0.00 C ATOM 1510 CG LEU B 35 10.372 -5.012 3.562 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.288 -4.258 2.809 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.081 -5.988 2.637 1.00 0.00 C ATOM 0 H LEU B 35 11.255 -4.999 6.655 1.00 0.00 H new ATOM 0 HA LEU B 35 13.093 -5.314 4.359 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.825 -3.340 4.825 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.818 -3.439 3.385 1.00 0.00 H new ATOM 0 HG LEU B 35 9.905 -5.581 4.366 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.586 -4.969 2.373 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.758 -3.600 3.497 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.742 -3.664 2.016 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.353 -6.675 2.206 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.577 -5.437 1.838 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.822 -6.552 3.203 1.00 0.00 H new ATOM 1524 N VAL B 36 14.381 -3.164 4.770 1.00 0.00 N ATOM 1525 CA VAL B 36 15.316 -2.116 5.158 1.00 0.00 C ATOM 1526 C VAL B 36 14.978 -0.822 4.428 1.00 0.00 C ATOM 1527 O VAL B 36 14.805 -0.825 3.208 1.00 0.00 O ATOM 1528 CB VAL B 36 16.774 -2.506 4.821 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.751 -1.456 5.329 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.113 -3.875 5.384 1.00 0.00 C ATOM 0 H VAL B 36 14.546 -3.545 3.838 1.00 0.00 H new ATOM 0 HA VAL B 36 15.227 -1.979 6.236 1.00 0.00 H new ATOM 0 HB VAL B 36 16.865 -2.554 3.736 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.769 -1.755 5.079 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.529 -0.496 4.862 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.656 -1.363 6.411 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.144 -4.126 5.134 1.00 0.00 H new ATOM 0 HG22 VAL B 36 16.996 -3.862 6.468 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.443 -4.621 4.955 1.00 0.00 H new ATOM 1540 N LYS B 37 14.873 0.278 5.162 1.00 0.00 N ATOM 1541 CA LYS B 37 14.585 1.562 4.543 1.00 0.00 C ATOM 1542 C LYS B 37 15.849 2.154 3.934 1.00 0.00 C ATOM 1543 O LYS B 37 16.826 2.416 4.635 1.00 0.00 O ATOM 1544 CB LYS B 37 13.978 2.553 5.542 1.00 0.00 C ATOM 1545 CG LYS B 37 13.532 3.854 4.889 1.00 0.00 C ATOM 1546 CD LYS B 37 12.852 4.810 5.863 1.00 0.00 C ATOM 1547 CE LYS B 37 13.844 5.497 6.795 1.00 0.00 C ATOM 1548 NZ LYS B 37 14.358 4.588 7.853 1.00 0.00 N ATOM 0 H LYS B 37 14.982 0.306 6.176 1.00 0.00 H new ATOM 0 HA LYS B 37 13.851 1.385 3.756 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.124 2.088 6.034 1.00 0.00 H new ATOM 0 HB3 LYS B 37 14.711 2.774 6.318 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.398 4.348 4.449 1.00 0.00 H new ATOM 0 HG3 LYS B 37 12.846 3.627 4.073 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.303 5.566 5.302 1.00 0.00 H new ATOM 0 HD3 LYS B 37 12.122 4.260 6.457 1.00 0.00 H new ATOM 0 HE2 LYS B 37 14.681 5.879 6.211 1.00 0.00 H new ATOM 0 HE3 LYS B 37 13.363 6.357 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 14.425 5.105 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 13.709 3.783 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 15.300 4.239 7.583 1.00 0.00 H new ATOM 1562 N VAL B 38 15.818 2.355 2.628 1.00 0.00 N ATOM 1563 CA VAL B 38 16.938 2.947 1.919 1.00 0.00 C ATOM 1564 C VAL B 38 16.956 4.452 2.152 1.00 0.00 C ATOM 1565 O VAL B 38 18.015 5.072 2.257 1.00 0.00 O ATOM 1566 CB VAL B 38 16.858 2.656 0.404 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.088 3.181 -0.324 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.683 1.166 0.159 1.00 0.00 C ATOM 0 H VAL B 38 15.024 2.115 2.034 1.00 0.00 H new ATOM 0 HA VAL B 38 17.857 2.503 2.303 1.00 0.00 H new ATOM 0 HB VAL B 38 15.988 3.178 0.005 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.002 2.961 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.163 4.259 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.980 2.699 0.075 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.628 0.978 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.531 0.626 0.580 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.764 0.825 0.635 1.00 0.00 H new ATOM 1578 N GLY B 39 15.764 5.025 2.250 1.00 0.00 N ATOM 1579 CA GLY B 39 15.629 6.448 2.474 1.00 0.00 C ATOM 1580 C GLY B 39 14.183 6.886 2.421 1.00 0.00 C ATOM 1581 O GLY B 39 13.279 6.051 2.354 1.00 0.00 O ATOM 0 H GLY B 39 14.880 4.522 2.177 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.052 6.706 3.445 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.202 6.991 1.722 1.00 0.00 H new ATOM 1585 N THR B 40 13.960 8.189 2.440 1.00 0.00 N ATOM 1586 CA THR B 40 12.615 8.736 2.415 1.00 0.00 C ATOM 1587 C THR B 40 12.452 9.663 1.212 1.00 0.00 C ATOM 1588 O THR B 40 13.289 10.535 0.975 1.00 0.00 O ATOM 1589 CB THR B 40 12.314 9.507 3.719 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.585 8.667 4.852 1.00 0.00 O ATOM 1591 CG2 THR B 40 10.864 9.968 3.767 1.00 0.00 C ATOM 0 H THR B 40 14.699 8.892 2.473 1.00 0.00 H new ATOM 0 HA THR B 40 11.908 7.911 2.331 1.00 0.00 H new ATOM 0 HB THR B 40 12.955 10.388 3.746 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.395 9.160 5.677 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.684 10.507 4.697 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.663 10.626 2.921 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.205 9.101 3.717 1.00 0.00 H new ATOM 1599 N ILE B 41 11.389 9.459 0.447 1.00 0.00 N ATOM 1600 CA ILE B 41 11.143 10.260 -0.745 1.00 0.00 C ATOM 1601 C ILE B 41 9.970 11.201 -0.533 1.00 0.00 C ATOM 1602 O ILE B 41 9.008 10.868 0.160 1.00 0.00 O ATOM 1603 CB ILE B 41 10.874 9.387 -1.990 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.799 8.334 -1.696 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.162 8.735 -2.467 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.460 7.460 -2.885 1.00 0.00 C ATOM 0 H ILE B 41 10.683 8.746 0.630 1.00 0.00 H new ATOM 0 HA ILE B 41 12.050 10.838 -0.922 1.00 0.00 H new ATOM 0 HB ILE B 41 10.501 10.029 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.138 7.701 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE B 41 8.894 8.837 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE B 41 11.956 8.123 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE B 41 12.887 9.507 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.567 8.107 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.693 6.740 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.090 8.082 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.353 6.928 -3.212 1.00 0.00 H new ATOM 1618 N ASN B 42 10.058 12.376 -1.126 1.00 0.00 N ATOM 1619 CA ASN B 42 9.010 13.376 -1.005 1.00 0.00 C ATOM 1620 C ASN B 42 8.771 14.061 -2.340 1.00 0.00 C ATOM 1621 O ASN B 42 9.682 14.646 -2.927 1.00 0.00 O ATOM 1622 CB ASN B 42 9.358 14.408 0.078 1.00 0.00 C ATOM 1623 CG ASN B 42 10.776 14.947 -0.039 1.00 0.00 C ATOM 1624 OD1 ASN B 42 11.707 14.394 0.545 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.951 16.030 -0.780 1.00 0.00 N ATOM 0 H ASN B 42 10.850 12.665 -1.701 1.00 0.00 H new ATOM 0 HA ASN B 42 8.092 12.871 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN B 42 8.655 15.239 0.018 1.00 0.00 H new ATOM 0 HB3 ASN B 42 9.230 13.952 1.060 1.00 0.00 H new ATOM 0 HD21 ASN B 42 11.882 16.433 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN B 42 10.155 16.461 -1.249 1.00 0.00 H new ATOM 1632 N VAL B 43 7.550 13.963 -2.829 1.00 0.00 N ATOM 1633 CA VAL B 43 7.178 14.601 -4.075 1.00 0.00 C ATOM 1634 C VAL B 43 6.293 15.804 -3.799 1.00 0.00 C ATOM 1635 O VAL B 43 5.103 15.661 -3.512 1.00 0.00 O ATOM 1636 CB VAL B 43 6.435 13.630 -5.020 1.00 0.00 C ATOM 1637 CG1 VAL B 43 6.131 14.295 -6.355 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.241 12.359 -5.229 1.00 0.00 C ATOM 0 H VAL B 43 6.796 13.445 -2.379 1.00 0.00 H new ATOM 0 HA VAL B 43 8.098 14.917 -4.566 1.00 0.00 H new ATOM 0 HB VAL B 43 5.488 13.363 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.608 13.590 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.504 15.171 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL B 43 7.063 14.600 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.699 11.690 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL B 43 8.206 12.609 -5.670 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.397 11.865 -4.270 1.00 0.00 H new ATOM 1648 N SER B 44 6.884 16.984 -3.848 1.00 0.00 N ATOM 1649 CA SER B 44 6.134 18.212 -3.688 1.00 0.00 C ATOM 1650 C SER B 44 5.822 18.802 -5.055 1.00 0.00 C ATOM 1651 O SER B 44 6.725 19.177 -5.804 1.00 0.00 O ATOM 1652 CB SER B 44 6.922 19.202 -2.830 1.00 0.00 C ATOM 1653 OG SER B 44 8.258 19.326 -3.288 1.00 0.00 O ATOM 0 H SER B 44 7.884 17.116 -3.998 1.00 0.00 H new ATOM 0 HA SER B 44 5.194 17.999 -3.180 1.00 0.00 H new ATOM 0 HB2 SER B 44 6.434 20.177 -2.854 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.920 18.870 -1.792 1.00 0.00 H new ATOM 0 HG SER B 44 8.273 19.291 -4.267 1.00 0.00 H new ATOM 1659 N GLN B 45 4.548 18.838 -5.396 1.00 0.00 N ATOM 1660 CA GLN B 45 4.117 19.358 -6.681 1.00 0.00 C ATOM 1661 C GLN B 45 3.407 20.688 -6.492 1.00 0.00 C ATOM 1662 O GLN B 45 2.368 20.756 -5.838 1.00 0.00 O ATOM 1663 CB GLN B 45 3.202 18.348 -7.376 1.00 0.00 C ATOM 1664 CG GLN B 45 3.887 17.024 -7.678 1.00 0.00 C ATOM 1665 CD GLN B 45 4.948 17.149 -8.753 1.00 0.00 C ATOM 1666 OE1 GLN B 45 4.669 16.958 -9.936 1.00 0.00 O ATOM 1667 NE2 GLN B 45 6.165 17.486 -8.355 1.00 0.00 N ATOM 0 H GLN B 45 3.789 18.512 -4.798 1.00 0.00 H new ATOM 0 HA GLN B 45 4.991 19.521 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.332 18.163 -6.746 1.00 0.00 H new ATOM 0 HB3 GLN B 45 2.836 18.780 -8.307 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.343 16.639 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.140 16.296 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.354 17.635 -7.364 1.00 0.00 H new ATOM 0 HE22 GLN B 45 6.913 17.596 -9.039 1.00 0.00 H new ATOM 1676 N SER B 46 3.975 21.736 -7.067 1.00 0.00 N ATOM 1677 CA SER B 46 3.443 23.089 -6.926 1.00 0.00 C ATOM 1678 C SER B 46 2.234 23.303 -7.835 1.00 0.00 C ATOM 1679 O SER B 46 2.173 24.269 -8.596 1.00 0.00 O ATOM 1680 CB SER B 46 4.538 24.098 -7.264 1.00 0.00 C ATOM 1681 OG SER B 46 5.722 23.826 -6.528 1.00 0.00 O ATOM 0 H SER B 46 4.815 21.677 -7.643 1.00 0.00 H new ATOM 0 HA SER B 46 3.116 23.230 -5.896 1.00 0.00 H new ATOM 0 HB2 SER B 46 4.753 24.064 -8.332 1.00 0.00 H new ATOM 0 HB3 SER B 46 4.190 25.107 -7.041 1.00 0.00 H new ATOM 0 HG SER B 46 6.410 24.483 -6.761 1.00 0.00 H new ATOM 1687 N GLY B 47 1.274 22.402 -7.736 1.00 0.00 N ATOM 1688 CA GLY B 47 0.096 22.465 -8.563 1.00 0.00 C ATOM 1689 C GLY B 47 -0.499 21.095 -8.775 1.00 0.00 C ATOM 1690 O GLY B 47 0.018 20.102 -8.251 1.00 0.00 O ATOM 0 H GLY B 47 1.293 21.616 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -0.643 23.117 -8.097 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.349 22.907 -9.527 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.563 21.026 -9.557 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.239 19.765 -9.784 1.00 0.00 C ATOM 1696 C GLY B 48 -1.552 18.915 -10.834 1.00 0.00 C ATOM 1697 O GLY B 48 -2.192 18.447 -11.775 1.00 0.00 O ATOM 0 H GLY B 48 -1.974 21.824 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.288 19.210 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.266 19.958 -10.094 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.249 18.713 -10.675 1.00 0.00 N ATOM 1702 CA GLN B 49 0.509 17.878 -11.597 1.00 0.00 C ATOM 1703 C GLN B 49 0.270 16.406 -11.289 1.00 0.00 C ATOM 1704 O GLN B 49 0.522 15.535 -12.119 1.00 0.00 O ATOM 1705 CB GLN B 49 2.001 18.212 -11.540 1.00 0.00 C ATOM 1706 CG GLN B 49 2.308 19.644 -11.954 1.00 0.00 C ATOM 1707 CD GLN B 49 3.779 19.890 -12.229 1.00 0.00 C ATOM 1708 OE1 GLN B 49 4.129 20.718 -13.068 1.00 0.00 O ATOM 1709 NE2 GLN B 49 4.653 19.182 -11.532 1.00 0.00 N ATOM 0 H GLN B 49 0.303 19.115 -9.918 1.00 0.00 H new ATOM 0 HA GLN B 49 0.163 18.081 -12.610 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.366 18.047 -10.526 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.546 17.527 -12.190 1.00 0.00 H new ATOM 0 HG2 GLN B 49 1.733 19.887 -12.848 1.00 0.00 H new ATOM 0 HG3 GLN B 49 1.975 20.321 -11.167 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.327 18.504 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.653 19.315 -11.683 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.213 16.138 -10.082 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.677 14.809 -9.724 1.00 0.00 C ATOM 1720 C ILE B 50 -2.186 14.748 -9.929 1.00 0.00 C ATOM 1721 O ILE B 50 -2.961 15.196 -9.082 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.331 14.447 -8.260 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.184 14.533 -8.030 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.845 13.054 -7.914 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.994 13.589 -8.897 1.00 0.00 C ATOM 0 H ILE B 50 -0.293 16.828 -9.335 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.172 14.085 -10.363 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.822 15.166 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.512 15.555 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.395 14.319 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.591 12.819 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.928 13.025 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.384 12.321 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.054 13.710 -8.675 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.696 12.561 -8.692 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.815 13.816 -9.948 1.00 0.00 H new ATOM 1737 N SER B 51 -2.592 14.237 -11.079 1.00 0.00 N ATOM 1738 CA SER B 51 -3.994 14.242 -11.461 1.00 0.00 C ATOM 1739 C SER B 51 -4.699 12.972 -10.992 1.00 0.00 C ATOM 1740 O SER B 51 -5.885 12.995 -10.663 1.00 0.00 O ATOM 1741 CB SER B 51 -4.111 14.393 -12.981 1.00 0.00 C ATOM 1742 OG SER B 51 -5.462 14.465 -13.397 1.00 0.00 O ATOM 0 H SER B 51 -1.969 13.812 -11.766 1.00 0.00 H new ATOM 0 HA SER B 51 -4.483 15.087 -10.977 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.584 15.292 -13.299 1.00 0.00 H new ATOM 0 HB3 SER B 51 -3.624 13.549 -13.469 1.00 0.00 H new ATOM 0 HG SER B 51 -5.499 14.562 -14.371 1.00 0.00 H new ATOM 1748 N SER B 52 -3.968 11.870 -10.954 1.00 0.00 N ATOM 1749 CA SER B 52 -4.543 10.596 -10.565 1.00 0.00 C ATOM 1750 C SER B 52 -3.571 9.800 -9.698 1.00 0.00 C ATOM 1751 O SER B 52 -2.383 10.134 -9.618 1.00 0.00 O ATOM 1752 CB SER B 52 -4.921 9.805 -11.821 1.00 0.00 C ATOM 1753 OG SER B 52 -3.835 9.728 -12.732 1.00 0.00 O ATOM 0 H SER B 52 -2.976 11.833 -11.188 1.00 0.00 H new ATOM 0 HA SER B 52 -5.439 10.778 -9.972 1.00 0.00 H new ATOM 0 HB2 SER B 52 -5.233 8.799 -11.539 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.773 10.279 -12.308 1.00 0.00 H new ATOM 0 HG SER B 52 -3.044 10.147 -12.334 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.062 8.744 -9.021 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.211 7.846 -8.233 1.00 0.00 C ATOM 1761 C PRO B 53 -2.077 7.258 -9.066 1.00 0.00 C ATOM 1762 O PRO B 53 -1.006 6.959 -8.542 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.170 6.741 -7.781 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.517 7.372 -7.811 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.486 8.356 -8.945 1.00 0.00 C ATOM 0 HA PRO B 53 -2.726 8.365 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.122 5.879 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.921 6.386 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.295 6.624 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.736 7.871 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.831 7.907 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.127 9.216 -8.749 1.00 0.00 H new ATOM 1773 N SER B 54 -2.315 7.112 -10.365 1.00 0.00 N ATOM 1774 CA SER B 54 -1.306 6.600 -11.281 1.00 0.00 C ATOM 1775 C SER B 54 -0.097 7.535 -11.334 1.00 0.00 C ATOM 1776 O SER B 54 1.046 7.079 -11.368 1.00 0.00 O ATOM 1777 CB SER B 54 -1.913 6.426 -12.672 1.00 0.00 C ATOM 1778 OG SER B 54 -3.060 5.590 -12.620 1.00 0.00 O ATOM 0 H SER B 54 -3.204 7.343 -10.808 1.00 0.00 H new ATOM 0 HA SER B 54 -0.964 5.630 -10.920 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.185 7.400 -13.080 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.173 5.994 -13.345 1.00 0.00 H new ATOM 0 HG SER B 54 -3.435 5.493 -13.520 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.358 8.843 -11.316 1.00 0.00 N ATOM 1785 CA ASP B 55 0.714 9.837 -11.274 1.00 0.00 C ATOM 1786 C ASP B 55 1.511 9.665 -9.992 1.00 0.00 C ATOM 1787 O ASP B 55 2.742 9.627 -10.005 1.00 0.00 O ATOM 1788 CB ASP B 55 0.158 11.266 -11.317 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.618 11.577 -12.576 1.00 0.00 C ATOM 1790 OD1 ASP B 55 0.004 11.959 -13.585 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -1.861 11.467 -12.554 1.00 0.00 O ATOM 0 H ASP B 55 -1.299 9.237 -11.330 1.00 0.00 H new ATOM 0 HA ASP B 55 1.348 9.683 -12.147 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.489 11.421 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.984 11.971 -11.226 1.00 0.00 H new ATOM 1796 N LEU B 56 0.782 9.548 -8.889 1.00 0.00 N ATOM 1797 CA LEU B 56 1.388 9.369 -7.575 1.00 0.00 C ATOM 1798 C LEU B 56 2.226 8.091 -7.531 1.00 0.00 C ATOM 1799 O LEU B 56 3.341 8.084 -7.008 1.00 0.00 O ATOM 1800 CB LEU B 56 0.296 9.323 -6.503 1.00 0.00 C ATOM 1801 CG LEU B 56 0.797 9.239 -5.061 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.661 10.444 -4.728 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.376 9.142 -4.099 1.00 0.00 C ATOM 0 H LEU B 56 -0.238 9.574 -8.879 1.00 0.00 H new ATOM 0 HA LEU B 56 2.048 10.214 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.325 10.213 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.345 8.463 -6.698 1.00 0.00 H new ATOM 0 HG LEU B 56 1.405 8.341 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU B 56 2.009 10.368 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.519 10.474 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU B 56 1.075 11.356 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.004 9.083 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.007 10.024 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.959 8.249 -4.325 1.00 0.00 H new ATOM 1815 N ARG B 57 1.682 7.016 -8.091 1.00 0.00 N ATOM 1816 CA ARG B 57 2.380 5.737 -8.146 1.00 0.00 C ATOM 1817 C ARG B 57 3.662 5.851 -8.965 1.00 0.00 C ATOM 1818 O ARG B 57 4.712 5.376 -8.539 1.00 0.00 O ATOM 1819 CB ARG B 57 1.470 4.650 -8.733 1.00 0.00 C ATOM 1820 CG ARG B 57 0.359 4.209 -7.787 1.00 0.00 C ATOM 1821 CD ARG B 57 0.899 3.364 -6.639 1.00 0.00 C ATOM 1822 NE ARG B 57 1.174 1.985 -7.050 1.00 0.00 N ATOM 1823 CZ ARG B 57 2.385 1.500 -7.322 1.00 0.00 C ATOM 1824 NH1 ARG B 57 3.465 2.255 -7.182 1.00 0.00 N ATOM 1825 NH2 ARG B 57 2.512 0.241 -7.702 1.00 0.00 N ATOM 0 H ARG B 57 0.755 7.006 -8.515 1.00 0.00 H new ATOM 0 HA ARG B 57 2.647 5.456 -7.127 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.024 5.020 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.076 3.784 -8.997 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -0.147 5.087 -7.386 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -0.385 3.637 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG B 57 1.814 3.817 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG B 57 0.178 3.361 -5.822 1.00 0.00 H new ATOM 0 HE ARG B 57 0.380 1.350 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG B 57 3.375 3.220 -6.863 1.00 0.00 H new ATOM 0 HH12 ARG B 57 4.386 1.872 -7.394 1.00 0.00 H new ATOM 0 HH21 ARG B 57 1.687 -0.352 -7.785 1.00 0.00 H new ATOM 0 HH22 ARG B 57 3.436 -0.138 -7.912 1.00 0.00 H new ATOM 1839 N GLU B 58 3.574 6.499 -10.124 1.00 0.00 N ATOM 1840 CA GLU B 58 4.724 6.650 -11.012 1.00 0.00 C ATOM 1841 C GLU B 58 5.851 7.427 -10.336 1.00 0.00 C ATOM 1842 O GLU B 58 6.979 6.940 -10.244 1.00 0.00 O ATOM 1843 CB GLU B 58 4.318 7.363 -12.304 1.00 0.00 C ATOM 1844 CG GLU B 58 5.481 7.597 -13.255 1.00 0.00 C ATOM 1845 CD GLU B 58 5.111 8.479 -14.428 1.00 0.00 C ATOM 1846 OE1 GLU B 58 5.085 9.713 -14.262 1.00 0.00 O ATOM 1847 OE2 GLU B 58 4.848 7.943 -15.527 1.00 0.00 O ATOM 0 H GLU B 58 2.716 6.929 -10.471 1.00 0.00 H new ATOM 0 HA GLU B 58 5.085 5.649 -11.249 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.556 6.772 -12.812 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.864 8.322 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.305 8.055 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.839 6.637 -13.627 1.00 0.00 H new ATOM 1854 N LYS B 59 5.535 8.631 -9.861 1.00 0.00 N ATOM 1855 CA LYS B 59 6.536 9.513 -9.263 1.00 0.00 C ATOM 1856 C LYS B 59 7.288 8.815 -8.135 1.00 0.00 C ATOM 1857 O LYS B 59 8.517 8.826 -8.097 1.00 0.00 O ATOM 1858 CB LYS B 59 5.884 10.793 -8.728 1.00 0.00 C ATOM 1859 CG LYS B 59 5.247 11.667 -9.801 1.00 0.00 C ATOM 1860 CD LYS B 59 6.273 12.198 -10.794 1.00 0.00 C ATOM 1861 CE LYS B 59 7.334 13.048 -10.111 1.00 0.00 C ATOM 1862 NZ LYS B 59 8.272 13.659 -11.092 1.00 0.00 N ATOM 0 H LYS B 59 4.592 9.018 -9.879 1.00 0.00 H new ATOM 0 HA LYS B 59 7.247 9.774 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.122 10.521 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.637 11.377 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS B 59 4.491 11.091 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.734 12.505 -9.328 1.00 0.00 H new ATOM 0 HD2 LYS B 59 6.751 11.362 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS B 59 5.768 12.791 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.851 13.835 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS B 59 7.895 12.433 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 8.979 14.230 -10.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 8.752 12.908 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 7.741 14.267 -11.748 1.00 0.00 H new ATOM 1876 N LEU B 60 6.544 8.197 -7.230 1.00 0.00 N ATOM 1877 CA LEU B 60 7.144 7.534 -6.081 1.00 0.00 C ATOM 1878 C LEU B 60 7.917 6.287 -6.504 1.00 0.00 C ATOM 1879 O LEU B 60 8.981 5.997 -5.961 1.00 0.00 O ATOM 1880 CB LEU B 60 6.069 7.169 -5.056 1.00 0.00 C ATOM 1881 CG LEU B 60 5.329 8.360 -4.442 1.00 0.00 C ATOM 1882 CD1 LEU B 60 4.220 7.879 -3.521 1.00 0.00 C ATOM 1883 CD2 LEU B 60 6.294 9.257 -3.681 1.00 0.00 C ATOM 0 H LEU B 60 5.526 8.140 -7.268 1.00 0.00 H new ATOM 0 HA LEU B 60 7.848 8.228 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.340 6.515 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.533 6.596 -4.253 1.00 0.00 H new ATOM 0 HG LEU B 60 4.884 8.939 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.704 8.738 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.511 7.276 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.648 7.277 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.748 10.098 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.768 8.687 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.058 9.630 -4.363 1.00 0.00 H new ATOM 1895 N SER B 61 7.389 5.564 -7.484 1.00 0.00 N ATOM 1896 CA SER B 61 8.016 4.334 -7.952 1.00 0.00 C ATOM 1897 C SER B 61 9.362 4.622 -8.612 1.00 0.00 C ATOM 1898 O SER B 61 10.362 3.956 -8.329 1.00 0.00 O ATOM 1899 CB SER B 61 7.093 3.611 -8.939 1.00 0.00 C ATOM 1900 OG SER B 61 7.671 2.404 -9.405 1.00 0.00 O ATOM 0 H SER B 61 6.527 5.809 -7.971 1.00 0.00 H new ATOM 0 HA SER B 61 8.188 3.692 -7.088 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.140 3.396 -8.456 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.881 4.264 -9.785 1.00 0.00 H new ATOM 0 HG SER B 61 7.435 1.672 -8.797 1.00 0.00 H new ATOM 1906 N GLU B 62 9.385 5.629 -9.476 1.00 0.00 N ATOM 1907 CA GLU B 62 10.582 5.959 -10.236 1.00 0.00 C ATOM 1908 C GLU B 62 11.679 6.477 -9.308 1.00 0.00 C ATOM 1909 O GLU B 62 12.867 6.223 -9.527 1.00 0.00 O ATOM 1910 CB GLU B 62 10.253 7.000 -11.306 1.00 0.00 C ATOM 1911 CG GLU B 62 11.033 6.817 -12.599 1.00 0.00 C ATOM 1912 CD GLU B 62 10.785 5.466 -13.243 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.617 5.027 -13.289 1.00 0.00 O ATOM 1914 OE2 GLU B 62 11.759 4.831 -13.697 1.00 0.00 O ATOM 0 H GLU B 62 8.585 6.232 -9.668 1.00 0.00 H new ATOM 0 HA GLU B 62 10.946 5.055 -10.725 1.00 0.00 H new ATOM 0 HB2 GLU B 62 9.186 6.957 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.456 7.994 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.758 7.605 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU B 62 12.098 6.929 -12.396 1.00 0.00 H new ATOM 1921 N LEU B 63 11.274 7.195 -8.266 1.00 0.00 N ATOM 1922 CA LEU B 63 12.217 7.708 -7.283 1.00 0.00 C ATOM 1923 C LEU B 63 12.705 6.594 -6.364 1.00 0.00 C ATOM 1924 O LEU B 63 13.875 6.561 -5.991 1.00 0.00 O ATOM 1925 CB LEU B 63 11.583 8.831 -6.456 1.00 0.00 C ATOM 1926 CG LEU B 63 11.262 10.110 -7.231 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.596 11.132 -6.324 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.527 10.688 -7.852 1.00 0.00 C ATOM 0 H LEU B 63 10.300 7.434 -8.082 1.00 0.00 H new ATOM 0 HA LEU B 63 13.073 8.112 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.663 8.456 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.257 9.081 -5.636 1.00 0.00 H new ATOM 0 HG LEU B 63 10.567 9.861 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.375 12.035 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.669 10.717 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.265 11.378 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU B 63 12.281 11.598 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU B 63 13.245 10.921 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.962 9.959 -8.536 1.00 0.00 H new ATOM 1940 N ALA B 64 11.806 5.682 -6.002 1.00 0.00 N ATOM 1941 CA ALA B 64 12.157 4.561 -5.136 1.00 0.00 C ATOM 1942 C ALA B 64 13.238 3.698 -5.775 1.00 0.00 C ATOM 1943 O ALA B 64 14.196 3.293 -5.111 1.00 0.00 O ATOM 1944 CB ALA B 64 10.926 3.722 -4.823 1.00 0.00 C ATOM 0 H ALA B 64 10.829 5.698 -6.295 1.00 0.00 H new ATOM 0 HA ALA B 64 12.550 4.965 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.207 2.891 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.183 4.340 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.505 3.334 -5.750 1.00 0.00 H new ATOM 1950 N ASP B 65 13.089 3.435 -7.070 1.00 0.00 N ATOM 1951 CA ASP B 65 14.073 2.650 -7.808 1.00 0.00 C ATOM 1952 C ASP B 65 15.388 3.416 -7.916 1.00 0.00 C ATOM 1953 O ASP B 65 16.469 2.831 -7.832 1.00 0.00 O ATOM 1954 CB ASP B 65 13.551 2.300 -9.204 1.00 0.00 C ATOM 1955 CG ASP B 65 14.484 1.368 -9.962 1.00 0.00 C ATOM 1956 OD1 ASP B 65 14.375 0.134 -9.780 1.00 0.00 O ATOM 1957 OD2 ASP B 65 15.318 1.860 -10.754 1.00 0.00 O ATOM 0 H ASP B 65 12.298 3.753 -7.629 1.00 0.00 H new ATOM 0 HA ASP B 65 14.248 1.723 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.571 1.832 -9.114 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.415 3.217 -9.777 1.00 0.00 H new ATOM 1962 N ALA B 66 15.282 4.731 -8.090 1.00 0.00 N ATOM 1963 CA ALA B 66 16.452 5.598 -8.157 1.00 0.00 C ATOM 1964 C ALA B 66 17.244 5.549 -6.852 1.00 0.00 C ATOM 1965 O ALA B 66 18.474 5.535 -6.862 1.00 0.00 O ATOM 1966 CB ALA B 66 16.038 7.026 -8.475 1.00 0.00 C ATOM 0 H ALA B 66 14.392 5.220 -8.187 1.00 0.00 H new ATOM 0 HA ALA B 66 17.097 5.236 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.924 7.660 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.524 7.050 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.369 7.393 -7.696 1.00 0.00 H new ATOM 1972 N LYS B 67 16.532 5.530 -5.729 1.00 0.00 N ATOM 1973 CA LYS B 67 17.174 5.397 -4.427 1.00 0.00 C ATOM 1974 C LYS B 67 17.762 3.996 -4.284 1.00 0.00 C ATOM 1975 O LYS B 67 18.954 3.830 -4.030 1.00 0.00 O ATOM 1976 CB LYS B 67 16.175 5.652 -3.290 1.00 0.00 C ATOM 1977 CG LYS B 67 15.416 6.969 -3.395 1.00 0.00 C ATOM 1978 CD LYS B 67 16.321 8.185 -3.258 1.00 0.00 C ATOM 1979 CE LYS B 67 15.517 9.472 -3.387 1.00 0.00 C ATOM 1980 NZ LYS B 67 16.354 10.691 -3.217 1.00 0.00 N ATOM 0 H LYS B 67 15.515 5.605 -5.695 1.00 0.00 H new ATOM 0 HA LYS B 67 17.968 6.140 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.455 4.834 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.712 5.632 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS B 67 14.902 7.011 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.649 7.004 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS B 67 16.826 8.161 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.096 8.156 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.037 9.499 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS B 67 14.722 9.475 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 15.758 11.538 -3.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 16.792 10.682 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 17.097 10.706 -3.944 1.00 0.00 H new ATOM 1994 N GLY B 68 16.914 2.991 -4.462 1.00 0.00 N ATOM 1995 CA GLY B 68 17.362 1.616 -4.370 1.00 0.00 C ATOM 1996 C GLY B 68 16.390 0.736 -3.611 1.00 0.00 C ATOM 1997 O GLY B 68 16.802 -0.126 -2.834 1.00 0.00 O ATOM 0 H GLY B 68 15.922 3.105 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.501 1.215 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.334 1.587 -3.877 1.00 0.00 H new ATOM 2001 N GLY B 69 15.102 0.949 -3.836 1.00 0.00 N ATOM 2002 CA GLY B 69 14.090 0.167 -3.157 1.00 0.00 C ATOM 2003 C GLY B 69 13.037 -0.357 -4.110 1.00 0.00 C ATOM 2004 O GLY B 69 12.761 0.259 -5.137 1.00 0.00 O ATOM 0 H GLY B 69 14.739 1.652 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.563 -0.671 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.613 0.779 -2.392 1.00 0.00 H new ATOM 2008 N LYS B 70 12.453 -1.497 -3.770 1.00 0.00 N ATOM 2009 CA LYS B 70 11.443 -2.124 -4.617 1.00 0.00 C ATOM 2010 C LYS B 70 10.045 -1.805 -4.101 1.00 0.00 C ATOM 2011 O LYS B 70 9.058 -1.880 -4.837 1.00 0.00 O ATOM 2012 CB LYS B 70 11.635 -3.641 -4.638 1.00 0.00 C ATOM 2013 CG LYS B 70 13.003 -4.094 -5.123 1.00 0.00 C ATOM 2014 CD LYS B 70 13.198 -5.578 -4.870 1.00 0.00 C ATOM 2015 CE LYS B 70 14.584 -6.048 -5.275 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.844 -7.436 -4.809 1.00 0.00 N ATOM 0 H LYS B 70 12.660 -2.009 -2.912 1.00 0.00 H new ATOM 0 HA LYS B 70 11.554 -1.730 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.472 -4.030 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.871 -4.083 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.104 -3.885 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.781 -3.528 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.038 -5.789 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.448 -6.142 -5.425 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.683 -6.002 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.334 -5.376 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.870 -7.604 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.439 -7.565 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 14.405 -8.111 -5.467 1.00 0.00 H new ATOM 2030 N TYR B 71 9.968 -1.452 -2.829 1.00 0.00 N ATOM 2031 CA TYR B 71 8.695 -1.191 -2.184 1.00 0.00 C ATOM 2032 C TYR B 71 8.742 0.167 -1.512 1.00 0.00 C ATOM 2033 O TYR B 71 9.808 0.614 -1.087 1.00 0.00 O ATOM 2034 CB TYR B 71 8.396 -2.264 -1.126 1.00 0.00 C ATOM 2035 CG TYR B 71 8.833 -3.660 -1.516 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.982 -4.517 -2.205 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.105 -4.118 -1.196 1.00 0.00 C ATOM 2038 CE1 TYR B 71 8.390 -5.790 -2.562 1.00 0.00 C ATOM 2039 CE2 TYR B 71 10.520 -5.384 -1.551 1.00 0.00 C ATOM 2040 CZ TYR B 71 9.660 -6.216 -2.234 1.00 0.00 C ATOM 2041 OH TYR B 71 10.073 -7.479 -2.589 1.00 0.00 O ATOM 0 H TYR B 71 10.779 -1.339 -2.220 1.00 0.00 H new ATOM 0 HA TYR B 71 7.910 -1.210 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR B 71 8.891 -1.988 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.324 -2.273 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.988 -4.184 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.782 -3.470 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR B 71 7.718 -6.446 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR B 71 11.513 -5.722 -1.295 1.00 0.00 H new ATOM 0 HH TYR B 71 11.009 -7.603 -2.326 1.00 0.00 H new ATOM 2051 N TYR B 72 7.607 0.829 -1.421 1.00 0.00 N ATOM 2052 CA TYR B 72 7.536 2.069 -0.676 1.00 0.00 C ATOM 2053 C TYR B 72 6.248 2.132 0.128 1.00 0.00 C ATOM 2054 O TYR B 72 5.350 1.313 -0.052 1.00 0.00 O ATOM 2055 CB TYR B 72 7.688 3.295 -1.592 1.00 0.00 C ATOM 2056 CG TYR B 72 6.565 3.524 -2.581 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.395 4.168 -2.197 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.693 3.135 -3.907 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.384 4.410 -3.103 1.00 0.00 C ATOM 2060 CE2 TYR B 72 5.691 3.382 -4.822 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.537 4.018 -4.414 1.00 0.00 C ATOM 2062 OH TYR B 72 3.541 4.283 -5.324 1.00 0.00 O ATOM 0 H TYR B 72 6.729 0.533 -1.849 1.00 0.00 H new ATOM 0 HA TYR B 72 8.374 2.090 0.020 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.782 4.183 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.621 3.196 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.275 4.484 -1.171 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.592 2.630 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.477 4.904 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR B 72 5.809 3.079 -5.852 1.00 0.00 H new ATOM 0 HH TYR B 72 2.933 4.957 -4.956 1.00 0.00 H new ATOM 2072 N HIS B 73 6.176 3.094 1.029 1.00 0.00 N ATOM 2073 CA HIS B 73 5.020 3.254 1.897 1.00 0.00 C ATOM 2074 C HIS B 73 4.742 4.732 2.127 1.00 0.00 C ATOM 2075 O HIS B 73 5.597 5.453 2.634 1.00 0.00 O ATOM 2076 CB HIS B 73 5.273 2.538 3.229 1.00 0.00 C ATOM 2077 CG HIS B 73 4.221 2.776 4.269 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.473 3.449 5.442 1.00 0.00 N ATOM 2079 CD2 HIS B 73 2.918 2.413 4.317 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.373 3.495 6.166 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.412 2.870 5.509 1.00 0.00 N ATOM 0 H HIS B 73 6.912 3.784 1.181 1.00 0.00 H new ATOM 0 HA HIS B 73 4.146 2.810 1.421 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.347 1.467 3.043 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.236 2.861 3.624 1.00 0.00 H new ATOM 0 HD1 HIS B 73 5.372 3.850 5.710 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.377 1.866 3.559 1.00 0.00 H new ATOM 0 HE1 HIS B 73 3.274 3.965 7.134 1.00 0.00 H new ATOM 2090 N ILE B 74 3.556 5.178 1.746 1.00 0.00 N ATOM 2091 CA ILE B 74 3.186 6.576 1.901 1.00 0.00 C ATOM 2092 C ILE B 74 2.854 6.877 3.359 1.00 0.00 C ATOM 2093 O ILE B 74 2.070 6.164 3.987 1.00 0.00 O ATOM 2094 CB ILE B 74 1.982 6.944 1.006 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.307 6.649 -0.463 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.606 8.411 1.182 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.150 6.889 -1.409 1.00 0.00 C ATOM 0 H ILE B 74 2.833 4.593 1.327 1.00 0.00 H new ATOM 0 HA ILE B 74 4.039 7.180 1.591 1.00 0.00 H new ATOM 0 HB ILE B 74 1.129 6.335 1.307 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.149 7.270 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.627 5.611 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.756 8.648 0.542 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.340 8.596 2.223 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.453 9.039 0.907 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.459 6.658 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.313 6.249 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.843 7.933 -1.351 1.00 0.00 H new ATOM 2109 N ILE B 75 3.478 7.916 3.898 1.00 0.00 N ATOM 2110 CA ILE B 75 3.230 8.322 5.274 1.00 0.00 C ATOM 2111 C ILE B 75 2.565 9.689 5.327 1.00 0.00 C ATOM 2112 O ILE B 75 1.981 10.070 6.341 1.00 0.00 O ATOM 2113 CB ILE B 75 4.529 8.359 6.108 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.593 9.223 5.417 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.045 6.949 6.343 1.00 0.00 C ATOM 2116 CD1 ILE B 75 6.874 9.367 6.213 1.00 0.00 C ATOM 0 H ILE B 75 4.159 8.492 3.403 1.00 0.00 H new ATOM 0 HA ILE B 75 2.563 7.575 5.704 1.00 0.00 H new ATOM 0 HB ILE B 75 4.307 8.809 7.076 1.00 0.00 H new ATOM 0 HG12 ILE B 75 5.827 8.787 4.446 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.178 10.214 5.231 1.00 0.00 H new ATOM 0 HG21 ILE B 75 5.961 6.990 6.932 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.293 6.371 6.881 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.251 6.473 5.385 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.577 9.991 5.661 1.00 0.00 H new ATOM 0 HD12 ILE B 75 6.655 9.831 7.174 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.313 8.383 6.377 1.00 0.00 H new ATOM 2128 N ALA B 76 2.650 10.426 4.229 1.00 0.00 N ATOM 2129 CA ALA B 76 2.072 11.755 4.164 1.00 0.00 C ATOM 2130 C ALA B 76 1.550 12.060 2.770 1.00 0.00 C ATOM 2131 O ALA B 76 2.323 12.304 1.849 1.00 0.00 O ATOM 2132 CB ALA B 76 3.093 12.804 4.589 1.00 0.00 C ATOM 0 H ALA B 76 3.114 10.124 3.372 1.00 0.00 H new ATOM 0 HA ALA B 76 1.229 11.787 4.855 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.641 13.795 4.534 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.412 12.607 5.612 1.00 0.00 H new ATOM 0 HB3 ALA B 76 3.956 12.761 3.925 1.00 0.00 H new ATOM 2138 N ALA B 77 0.237 12.016 2.619 1.00 0.00 N ATOM 2139 CA ALA B 77 -0.405 12.422 1.379 1.00 0.00 C ATOM 2140 C ALA B 77 -1.271 13.640 1.649 1.00 0.00 C ATOM 2141 O ALA B 77 -2.484 13.529 1.843 1.00 0.00 O ATOM 2142 CB ALA B 77 -1.227 11.282 0.787 1.00 0.00 C ATOM 0 H ALA B 77 -0.409 11.702 3.343 1.00 0.00 H new ATOM 0 HA ALA B 77 0.358 12.679 0.645 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -1.696 11.614 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -0.576 10.433 0.580 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.998 10.983 1.497 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.639 14.798 1.686 1.00 0.00 N ATOM 2149 CA ARG B 78 -1.299 16.007 2.150 1.00 0.00 C ATOM 2150 C ARG B 78 -1.433 17.036 1.040 1.00 0.00 C ATOM 2151 O ARG B 78 -0.729 16.979 0.028 1.00 0.00 O ATOM 2152 CB ARG B 78 -0.520 16.602 3.322 1.00 0.00 C ATOM 2153 CG ARG B 78 0.930 16.917 2.993 1.00 0.00 C ATOM 2154 CD ARG B 78 1.703 17.321 4.233 1.00 0.00 C ATOM 2155 NE ARG B 78 1.641 16.287 5.265 1.00 0.00 N ATOM 2156 CZ ARG B 78 2.375 16.294 6.374 1.00 0.00 C ATOM 2157 NH1 ARG B 78 3.280 17.244 6.573 1.00 0.00 N ATOM 2158 NH2 ARG B 78 2.217 15.330 7.271 1.00 0.00 N ATOM 0 H ARG B 78 0.331 14.929 1.400 1.00 0.00 H new ATOM 0 HA ARG B 78 -2.304 15.738 2.474 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -1.016 17.516 3.650 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -0.550 15.904 4.159 1.00 0.00 H new ATOM 0 HG2 ARG B 78 1.399 16.045 2.538 1.00 0.00 H new ATOM 0 HG3 ARG B 78 0.972 17.721 2.258 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.743 17.510 3.969 1.00 0.00 H new ATOM 0 HD3 ARG B 78 1.299 18.254 4.627 1.00 0.00 H new ATOM 0 HE ARG B 78 0.994 15.511 5.125 1.00 0.00 H new ATOM 0 HH11 ARG B 78 3.415 17.974 5.873 1.00 0.00 H new ATOM 0 HH12 ARG B 78 3.840 17.244 7.425 1.00 0.00 H new ATOM 0 HH21 ARG B 78 1.536 14.589 7.108 1.00 0.00 H new ATOM 0 HH22 ARG B 78 2.777 15.330 8.124 1.00 0.00 H new ATOM 2172 N GLU B 79 -2.344 17.973 1.241 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.570 19.042 0.291 1.00 0.00 C ATOM 2174 C GLU B 79 -2.214 20.379 0.932 1.00 0.00 C ATOM 2175 O GLU B 79 -2.938 20.891 1.785 1.00 0.00 O ATOM 2176 CB GLU B 79 -4.026 19.033 -0.175 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.300 19.964 -1.341 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.714 19.834 -1.855 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.019 18.816 -2.513 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.525 20.749 -1.617 1.00 0.00 O ATOM 0 H GLU B 79 -2.944 18.012 2.065 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.934 18.892 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.300 18.017 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.667 19.313 0.661 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.121 20.994 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.600 19.748 -2.148 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.087 20.929 0.523 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.581 22.164 1.097 1.00 0.00 C ATOM 2189 C HIS B 80 -0.999 23.346 0.223 1.00 0.00 C ATOM 2190 O HIS B 80 -0.162 24.003 -0.397 1.00 0.00 O ATOM 2191 CB HIS B 80 0.945 22.090 1.205 1.00 0.00 C ATOM 2192 CG HIS B 80 1.537 22.982 2.253 1.00 0.00 C ATOM 2193 ND1 HIS B 80 2.620 22.608 3.017 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.207 24.230 2.660 1.00 0.00 C ATOM 2195 CE1 HIS B 80 2.929 23.583 3.849 1.00 0.00 C ATOM 2196 NE2 HIS B 80 2.087 24.582 3.653 1.00 0.00 N ATOM 0 H HIS B 80 -0.498 20.537 -0.212 1.00 0.00 H new ATOM 0 HA HIS B 80 -0.998 22.303 2.095 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.232 21.060 1.418 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.378 22.349 0.239 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.108 21.715 2.950 1.00 0.00 H new ATOM 0 HD2 HIS B 80 0.401 24.837 2.275 1.00 0.00 H new ATOM 0 HE1 HIS B 80 3.734 23.568 4.569 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.300 23.588 0.166 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.825 24.634 -0.684 1.00 0.00 C ATOM 2207 C GLY B 81 -2.778 24.229 -2.139 1.00 0.00 C ATOM 2208 O GLY B 81 -3.428 23.258 -2.534 1.00 0.00 O ATOM 0 H GLY B 81 -3.004 23.075 0.697 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.853 24.857 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.249 25.548 -0.539 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.011 24.949 -2.969 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.794 24.569 -4.362 1.00 0.00 C ATOM 2214 C PRO B 82 -0.770 23.443 -4.479 1.00 0.00 C ATOM 2215 O PRO B 82 -0.772 22.677 -5.442 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.261 25.855 -4.993 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.579 26.572 -3.880 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.309 26.199 -2.617 1.00 0.00 C ATOM 0 HA PRO B 82 -2.696 24.192 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.569 25.639 -5.807 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -2.069 26.454 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.471 26.285 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -0.606 27.650 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.619 26.050 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -2.008 26.978 -2.315 1.00 0.00 H new ATOM 2226 N ASN B 83 0.080 23.335 -3.467 1.00 0.00 N ATOM 2227 CA ASN B 83 1.163 22.363 -3.465 1.00 0.00 C ATOM 2228 C ASN B 83 0.695 21.026 -2.916 1.00 0.00 C ATOM 2229 O ASN B 83 0.167 20.944 -1.811 1.00 0.00 O ATOM 2230 CB ASN B 83 2.346 22.873 -2.633 1.00 0.00 C ATOM 2231 CG ASN B 83 3.161 23.937 -3.344 1.00 0.00 C ATOM 2232 OD1 ASN B 83 2.658 24.663 -4.202 1.00 0.00 O ATOM 2233 ND2 ASN B 83 4.429 24.051 -2.975 1.00 0.00 N ATOM 0 H ASN B 83 0.038 23.915 -2.629 1.00 0.00 H new ATOM 0 HA ASN B 83 1.484 22.225 -4.497 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.973 23.278 -1.693 1.00 0.00 H new ATOM 0 HB3 ASN B 83 2.995 22.034 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN B 83 5.024 24.759 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.810 23.431 -2.260 1.00 0.00 H new ATOM 2240 N PHE B 84 0.881 19.978 -3.693 1.00 0.00 N ATOM 2241 CA PHE B 84 0.575 18.635 -3.239 1.00 0.00 C ATOM 2242 C PHE B 84 1.853 17.976 -2.739 1.00 0.00 C ATOM 2243 O PHE B 84 2.831 17.870 -3.481 1.00 0.00 O ATOM 2244 CB PHE B 84 -0.050 17.814 -4.369 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.427 16.416 -3.961 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.538 16.189 -3.163 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.331 15.331 -4.371 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.888 14.906 -2.787 1.00 0.00 C ATOM 2249 CE2 PHE B 84 -0.014 14.046 -3.997 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.125 13.833 -3.203 1.00 0.00 C ATOM 0 H PHE B 84 1.244 20.030 -4.645 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.148 18.684 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.939 18.330 -4.732 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.652 17.764 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -2.137 17.024 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.201 15.491 -4.990 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.758 14.743 -2.168 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.584 13.209 -4.325 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.396 12.830 -2.909 1.00 0.00 H new ATOM 2260 N GLU B 85 1.854 17.555 -1.485 1.00 0.00 N ATOM 2261 CA GLU B 85 3.051 16.994 -0.881 1.00 0.00 C ATOM 2262 C GLU B 85 2.842 15.527 -0.531 1.00 0.00 C ATOM 2263 O GLU B 85 2.072 15.195 0.373 1.00 0.00 O ATOM 2264 CB GLU B 85 3.444 17.787 0.370 1.00 0.00 C ATOM 2265 CG GLU B 85 3.545 19.287 0.130 1.00 0.00 C ATOM 2266 CD GLU B 85 4.136 20.038 1.305 1.00 0.00 C ATOM 2267 OE1 GLU B 85 3.470 20.140 2.359 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.265 20.550 1.173 1.00 0.00 O ATOM 0 H GLU B 85 1.043 17.591 -0.868 1.00 0.00 H new ATOM 0 HA GLU B 85 3.861 17.063 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.710 17.601 1.154 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.403 17.420 0.737 1.00 0.00 H new ATOM 0 HG2 GLU B 85 4.157 19.467 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU B 85 2.552 19.682 -0.084 1.00 0.00 H new ATOM 2275 N ALA B 86 3.517 14.656 -1.266 1.00 0.00 N ATOM 2276 CA ALA B 86 3.441 13.225 -1.020 1.00 0.00 C ATOM 2277 C ALA B 86 4.776 12.698 -0.511 1.00 0.00 C ATOM 2278 O ALA B 86 5.779 12.724 -1.224 1.00 0.00 O ATOM 2279 CB ALA B 86 3.026 12.493 -2.283 1.00 0.00 C ATOM 0 H ALA B 86 4.126 14.918 -2.041 1.00 0.00 H new ATOM 0 HA ALA B 86 2.687 13.046 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA B 86 2.974 11.423 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.048 12.850 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA B 86 3.758 12.680 -3.069 1.00 0.00 H new ATOM 2285 N VAL B 87 4.785 12.237 0.727 1.00 0.00 N ATOM 2286 CA VAL B 87 5.997 11.719 1.345 1.00 0.00 C ATOM 2287 C VAL B 87 5.863 10.221 1.600 1.00 0.00 C ATOM 2288 O VAL B 87 4.855 9.762 2.149 1.00 0.00 O ATOM 2289 CB VAL B 87 6.306 12.442 2.675 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.648 11.997 3.234 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.278 13.953 2.488 1.00 0.00 C ATOM 0 H VAL B 87 3.962 12.210 1.329 1.00 0.00 H new ATOM 0 HA VAL B 87 6.821 11.900 0.655 1.00 0.00 H new ATOM 0 HB VAL B 87 5.532 12.172 3.393 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.843 12.520 4.170 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.628 10.922 3.416 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.436 12.229 2.517 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.498 14.441 3.437 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.025 14.242 1.749 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.290 14.259 2.143 1.00 0.00 H new ATOM 2301 N ALA B 88 6.877 9.466 1.203 1.00 0.00 N ATOM 2302 CA ALA B 88 6.847 8.018 1.333 1.00 0.00 C ATOM 2303 C ALA B 88 8.194 7.470 1.792 1.00 0.00 C ATOM 2304 O ALA B 88 9.222 8.137 1.678 1.00 0.00 O ATOM 2305 CB ALA B 88 6.442 7.381 0.009 1.00 0.00 C ATOM 0 H ALA B 88 7.733 9.834 0.787 1.00 0.00 H new ATOM 0 HA ALA B 88 6.108 7.765 2.094 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.423 6.297 0.118 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.451 7.735 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.162 7.656 -0.762 1.00 0.00 H new ATOM 2311 N GLU B 89 8.175 6.244 2.291 1.00 0.00 N ATOM 2312 CA GLU B 89 9.382 5.570 2.746 1.00 0.00 C ATOM 2313 C GLU B 89 9.831 4.573 1.681 1.00 0.00 C ATOM 2314 O GLU B 89 9.003 3.868 1.116 1.00 0.00 O ATOM 2315 CB GLU B 89 9.100 4.795 4.037 1.00 0.00 C ATOM 2316 CG GLU B 89 8.436 5.592 5.148 1.00 0.00 C ATOM 2317 CD GLU B 89 7.987 4.701 6.297 1.00 0.00 C ATOM 2318 OE1 GLU B 89 8.799 4.441 7.214 1.00 0.00 O ATOM 2319 OE2 GLU B 89 6.823 4.241 6.283 1.00 0.00 O ATOM 0 H GLU B 89 7.325 5.689 2.392 1.00 0.00 H new ATOM 0 HA GLU B 89 10.155 6.318 2.926 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.465 3.942 3.797 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.042 4.396 4.413 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.132 6.343 5.522 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.576 6.127 4.746 1.00 0.00 H new ATOM 2326 N VAL B 90 11.130 4.514 1.408 1.00 0.00 N ATOM 2327 CA VAL B 90 11.661 3.575 0.422 1.00 0.00 C ATOM 2328 C VAL B 90 12.247 2.351 1.116 1.00 0.00 C ATOM 2329 O VAL B 90 13.168 2.476 1.923 1.00 0.00 O ATOM 2330 CB VAL B 90 12.755 4.226 -0.453 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.288 3.241 -1.482 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.221 5.475 -1.134 1.00 0.00 C ATOM 0 H VAL B 90 11.834 5.103 1.853 1.00 0.00 H new ATOM 0 HA VAL B 90 10.831 3.278 -0.219 1.00 0.00 H new ATOM 0 HB VAL B 90 13.581 4.514 0.197 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.057 3.725 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.716 2.378 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.473 2.913 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.006 5.920 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.374 5.210 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL B 90 11.900 6.192 -0.379 1.00 0.00 H new ATOM 2342 N TYR B 91 11.722 1.175 0.804 1.00 0.00 N ATOM 2343 CA TYR B 91 12.178 -0.049 1.447 1.00 0.00 C ATOM 2344 C TYR B 91 12.686 -1.076 0.441 1.00 0.00 C ATOM 2345 O TYR B 91 12.149 -1.229 -0.659 1.00 0.00 O ATOM 2346 CB TYR B 91 11.068 -0.658 2.306 1.00 0.00 C ATOM 2347 CG TYR B 91 10.856 0.069 3.616 1.00 0.00 C ATOM 2348 CD1 TYR B 91 9.965 1.126 3.711 1.00 0.00 C ATOM 2349 CD2 TYR B 91 11.559 -0.300 4.753 1.00 0.00 C ATOM 2350 CE1 TYR B 91 9.785 1.797 4.905 1.00 0.00 C ATOM 2351 CE2 TYR B 91 11.382 0.366 5.951 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.494 1.416 6.019 1.00 0.00 C ATOM 2353 OH TYR B 91 10.314 2.094 7.206 1.00 0.00 O ATOM 0 H TYR B 91 10.984 1.042 0.113 1.00 0.00 H new ATOM 0 HA TYR B 91 13.016 0.225 2.088 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.136 -0.652 1.741 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.309 -1.701 2.512 1.00 0.00 H new ATOM 0 HD1 TYR B 91 9.404 1.429 2.840 1.00 0.00 H new ATOM 0 HD2 TYR B 91 12.257 -1.122 4.701 1.00 0.00 H new ATOM 0 HE1 TYR B 91 9.088 2.620 4.963 1.00 0.00 H new ATOM 0 HE2 TYR B 91 11.936 0.065 6.828 1.00 0.00 H new ATOM 0 HH TYR B 91 9.766 2.891 7.048 1.00 0.00 H new ATOM 2363 N ASN B 92 13.741 -1.762 0.842 1.00 0.00 N ATOM 2364 CA ASN B 92 14.325 -2.849 0.072 1.00 0.00 C ATOM 2365 C ASN B 92 14.256 -4.112 0.926 1.00 0.00 C ATOM 2366 O ASN B 92 14.238 -4.008 2.152 1.00 0.00 O ATOM 2367 CB ASN B 92 15.780 -2.489 -0.280 1.00 0.00 C ATOM 2368 CG ASN B 92 16.435 -3.412 -1.300 1.00 0.00 C ATOM 2369 OD1 ASN B 92 16.181 -4.615 -1.346 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.286 -2.841 -2.140 1.00 0.00 N ATOM 0 H ASN B 92 14.223 -1.579 1.722 1.00 0.00 H new ATOM 0 HA ASN B 92 13.785 -3.015 -0.860 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.805 -1.469 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.374 -2.500 0.634 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.753 -3.402 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.474 -1.841 -2.074 1.00 0.00 H new ATOM 2377 N ASP B 93 14.186 -5.286 0.294 1.00 0.00 N ATOM 2378 CA ASP B 93 14.094 -6.557 1.024 1.00 0.00 C ATOM 2379 C ASP B 93 15.192 -6.627 2.073 1.00 0.00 C ATOM 2380 O ASP B 93 14.938 -6.604 3.278 1.00 0.00 O ATOM 2381 CB ASP B 93 14.262 -7.753 0.075 1.00 0.00 C ATOM 2382 CG ASP B 93 13.633 -7.541 -1.286 1.00 0.00 C ATOM 2383 OD1 ASP B 93 14.323 -6.995 -2.178 1.00 0.00 O ATOM 2384 OD2 ASP B 93 12.470 -7.944 -1.481 1.00 0.00 O ATOM 0 H ASP B 93 14.191 -5.385 -0.721 1.00 0.00 H new ATOM 0 HA ASP B 93 13.110 -6.602 1.491 1.00 0.00 H new ATOM 0 HB2 ASP B 93 15.325 -7.958 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP B 93 13.821 -8.637 0.536 1.00 0.00 H new ATOM 2389 N ALA B 94 16.412 -6.707 1.573 1.00 0.00 N ATOM 2390 CA ALA B 94 17.621 -6.710 2.379 1.00 0.00 C ATOM 2391 C ALA B 94 18.803 -6.684 1.426 1.00 0.00 C ATOM 2392 O ALA B 94 19.931 -7.007 1.787 1.00 0.00 O ATOM 2393 CB ALA B 94 17.679 -7.943 3.275 1.00 0.00 C ATOM 0 H ALA B 94 16.595 -6.773 0.572 1.00 0.00 H new ATOM 0 HA ALA B 94 17.638 -5.840 3.035 1.00 0.00 H new ATOM 0 HB1 ALA B 94 18.594 -7.920 3.867 1.00 0.00 H new ATOM 0 HB2 ALA B 94 16.816 -7.950 3.941 1.00 0.00 H new ATOM 0 HB3 ALA B 94 17.669 -8.842 2.658 1.00 0.00 H new