USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 SER OG : rot -144:sc= 0.841 USER MOD Set 1.2: A 113 TYR OH : rot 180:sc= 0.167 USER MOD Set 2.1: A 103 ASN : amide:sc= 0.15 K(o=1.1,f=-0.7) USER MOD Set 2.2: A 105 ASN : amide:sc= 0.96 K(o=1.1,f=-5.2!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.089) USER MOD Single : A 25 ASN : amide:sc= 0.164 K(o=0.16,f=-5.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -132:sc= -0.513 (180deg=-2.15!) USER MOD Single : A 47 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00674) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 98:sc= 0.108! USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 67 GLN : amide:sc= -0.0255 X(o=-0.025,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 6:sc= -1.56! USER MOD Single : A 92 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.0023) USER MOD Single : A 100 GLN : amide:sc= -0.0251 K(o=-0.025,f=-2.1!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -3.19 K(o=-3.2,f=-5.1!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.51! C(o=-2.5!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 6.435 -2.328 -19.368 1.00 0.00 N ATOM 2 CA ALA A 21 7.244 -2.835 -18.222 1.00 0.00 C ATOM 3 C ALA A 21 6.580 -2.508 -16.889 1.00 0.00 C ATOM 4 O ALA A 21 6.662 -1.380 -16.403 1.00 0.00 O ATOM 5 CB ALA A 21 8.647 -2.248 -18.269 1.00 0.00 C ATOM 0 HA ALA A 21 7.308 -3.920 -18.309 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.228 -2.626 -17.427 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.131 -2.536 -19.202 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.589 -1.161 -18.211 1.00 0.00 H new ATOM 13 N MET A 22 5.920 -3.502 -16.303 1.00 0.00 N ATOM 14 CA MET A 22 5.241 -3.320 -15.025 1.00 0.00 C ATOM 15 C MET A 22 6.246 -3.240 -13.881 1.00 0.00 C ATOM 16 O MET A 22 7.442 -3.458 -14.084 1.00 0.00 O ATOM 17 CB MET A 22 4.260 -4.468 -14.778 1.00 0.00 C ATOM 18 CG MET A 22 3.205 -4.612 -15.863 1.00 0.00 C ATOM 19 SD MET A 22 2.782 -6.333 -16.197 1.00 0.00 S ATOM 20 CE MET A 22 1.345 -6.132 -17.247 1.00 0.00 C ATOM 0 H MET A 22 5.841 -4.441 -16.693 1.00 0.00 H new ATOM 0 HA MET A 22 4.689 -2.381 -15.065 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.818 -5.401 -14.700 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.765 -4.311 -13.820 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.306 -4.072 -15.564 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.566 -4.146 -16.780 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.967 -7.112 -17.538 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.570 -5.591 -16.704 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.622 -5.571 -18.139 1.00 0.00 H new ATOM 30 N ALA A 23 5.752 -2.927 -12.687 1.00 0.00 N ATOM 31 CA ALA A 23 6.606 -2.817 -11.509 1.00 0.00 C ATOM 32 C ALA A 23 7.616 -1.686 -11.666 1.00 0.00 C ATOM 33 O ALA A 23 8.317 -1.601 -12.675 1.00 0.00 O ATOM 34 CB ALA A 23 7.322 -4.135 -11.250 1.00 0.00 C ATOM 0 H ALA A 23 4.764 -2.745 -12.510 1.00 0.00 H new ATOM 0 HA ALA A 23 5.972 -2.586 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.955 -4.038 -10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.587 -4.922 -11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.938 -4.390 -12.113 1.00 0.00 H new ATOM 40 N GLN A 24 7.688 -0.820 -10.668 1.00 0.00 N ATOM 41 CA GLN A 24 8.615 0.308 -10.686 1.00 0.00 C ATOM 42 C GLN A 24 9.541 0.278 -9.477 1.00 0.00 C ATOM 43 O GLN A 24 9.239 -0.354 -8.465 1.00 0.00 O ATOM 44 CB GLN A 24 7.855 1.638 -10.725 1.00 0.00 C ATOM 45 CG GLN A 24 6.476 1.580 -10.092 1.00 0.00 C ATOM 46 CD GLN A 24 5.676 2.849 -10.316 1.00 0.00 C ATOM 47 OE1 GLN A 24 6.193 3.956 -10.157 1.00 0.00 O ATOM 48 NE2 GLN A 24 4.407 2.693 -10.669 1.00 0.00 N ATOM 0 H GLN A 24 7.112 -0.875 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 24 9.220 0.220 -11.589 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.446 2.398 -10.214 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.754 1.957 -11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.928 0.732 -10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.579 1.405 -9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.023 1.756 -10.789 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.816 3.510 -10.821 1.00 0.00 H new ATOM 57 N ASN A 25 10.670 0.967 -9.591 1.00 0.00 N ATOM 58 CA ASN A 25 11.646 1.024 -8.516 1.00 0.00 C ATOM 59 C ASN A 25 11.680 2.413 -7.879 1.00 0.00 C ATOM 60 O ASN A 25 11.938 3.406 -8.568 1.00 0.00 O ATOM 61 CB ASN A 25 13.035 0.650 -9.026 1.00 0.00 C ATOM 62 CG ASN A 25 13.465 1.504 -10.202 1.00 0.00 C ATOM 63 OD1 ASN A 25 12.702 1.710 -11.145 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.693 2.005 -10.160 1.00 0.00 N ATOM 0 H ASN A 25 10.931 1.496 -10.423 1.00 0.00 H new ATOM 0 HA ASN A 25 11.345 0.302 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.758 0.759 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.041 -0.399 -9.320 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.034 2.584 -10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.296 1.811 -9.360 1.00 0.00 H new ATOM 71 N ILE A 26 11.420 2.474 -6.578 1.00 0.00 N ATOM 72 CA ILE A 26 11.422 3.742 -5.858 1.00 0.00 C ATOM 73 C ILE A 26 12.362 3.690 -4.659 1.00 0.00 C ATOM 74 O ILE A 26 12.357 2.727 -3.900 1.00 0.00 O ATOM 75 CB ILE A 26 10.008 4.115 -5.370 1.00 0.00 C ATOM 76 CG1 ILE A 26 9.000 3.986 -6.514 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.997 5.526 -4.803 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.559 3.982 -6.060 1.00 0.00 C ATOM 0 H ILE A 26 11.205 1.661 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 26 11.769 4.502 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 26 9.720 3.425 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.149 4.810 -7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.201 3.065 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.991 5.774 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.689 5.586 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.303 6.231 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.905 3.888 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.392 3.142 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.339 4.914 -5.539 1.00 0.00 H new ATOM 90 N THR A 27 13.172 4.733 -4.512 1.00 0.00 N ATOM 91 CA THR A 27 14.120 4.807 -3.399 1.00 0.00 C ATOM 92 C THR A 27 13.465 5.401 -2.157 1.00 0.00 C ATOM 93 O THR A 27 12.677 6.344 -2.256 1.00 0.00 O ATOM 94 CB THR A 27 15.340 5.640 -3.797 1.00 0.00 C ATOM 95 OG1 THR A 27 14.942 6.862 -4.395 1.00 0.00 O ATOM 96 CG2 THR A 27 16.259 4.928 -4.767 1.00 0.00 C ATOM 0 H THR A 27 13.194 5.534 -5.143 1.00 0.00 H new ATOM 0 HA THR A 27 14.441 3.793 -3.163 1.00 0.00 H new ATOM 0 HB THR A 27 15.885 5.816 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.737 7.380 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.104 5.573 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.624 4.007 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.712 4.691 -5.679 1.00 0.00 H new ATOM 104 N ALA A 28 13.796 4.842 -0.999 1.00 0.00 N ATOM 105 CA ALA A 28 13.242 5.311 0.250 1.00 0.00 C ATOM 106 C ALA A 28 14.321 5.395 1.326 1.00 0.00 C ATOM 107 O ALA A 28 15.393 4.804 1.193 1.00 0.00 O ATOM 108 CB ALA A 28 12.112 4.399 0.702 1.00 0.00 C ATOM 0 H ALA A 28 14.447 4.062 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 28 12.842 6.312 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.704 4.765 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.327 4.390 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.494 3.387 0.840 1.00 0.00 H new ATOM 114 N ARG A 29 14.031 6.136 2.391 1.00 0.00 N ATOM 115 CA ARG A 29 14.977 6.299 3.490 1.00 0.00 C ATOM 116 C ARG A 29 14.402 5.751 4.793 1.00 0.00 C ATOM 117 O ARG A 29 13.247 6.010 5.131 1.00 0.00 O ATOM 118 CB ARG A 29 15.338 7.777 3.659 1.00 0.00 C ATOM 119 CG ARG A 29 16.458 8.020 4.657 1.00 0.00 C ATOM 120 CD ARG A 29 16.282 9.345 5.379 1.00 0.00 C ATOM 121 NE ARG A 29 16.323 9.186 6.840 1.00 0.00 N ATOM 122 CZ ARG A 29 16.454 10.198 7.686 1.00 0.00 C ATOM 123 NH1 ARG A 29 16.557 11.443 7.248 1.00 0.00 N ATOM 124 NH2 ARG A 29 16.482 9.964 8.990 1.00 0.00 N ATOM 0 H ARG A 29 13.149 6.633 2.516 1.00 0.00 H new ATOM 0 HA ARG A 29 15.878 5.734 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.631 8.184 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.452 8.324 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.481 7.208 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.417 8.011 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.066 10.035 5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.331 9.792 5.090 1.00 0.00 H new ATOM 0 HE ARG A 29 16.246 8.244 7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.536 11.635 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.657 12.211 7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.403 9.009 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.583 10.739 9.645 1.00 0.00 H new ATOM 138 N ILE A 30 15.216 4.991 5.528 1.00 0.00 N ATOM 139 CA ILE A 30 14.788 4.403 6.787 1.00 0.00 C ATOM 140 C ILE A 30 14.406 5.479 7.799 1.00 0.00 C ATOM 141 O ILE A 30 15.155 6.429 8.023 1.00 0.00 O ATOM 142 CB ILE A 30 15.883 3.506 7.412 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.268 4.132 7.218 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.839 2.114 6.800 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.139 4.047 8.451 1.00 0.00 C ATOM 0 H ILE A 30 16.177 4.771 5.267 1.00 0.00 H new ATOM 0 HA ILE A 30 13.918 3.789 6.554 1.00 0.00 H new ATOM 0 HB ILE A 30 15.691 3.422 8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.772 3.633 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.150 5.178 6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.615 1.494 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.863 1.665 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.007 2.184 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.105 4.508 8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.655 4.570 9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.286 3.001 8.721 1.00 0.00 H new ATOM 157 N GLY A 31 13.237 5.316 8.411 1.00 0.00 N ATOM 158 CA GLY A 31 12.774 6.275 9.408 1.00 0.00 C ATOM 159 C GLY A 31 12.236 7.554 8.781 1.00 0.00 C ATOM 160 O GLY A 31 11.851 8.478 9.499 1.00 0.00 O ATOM 0 H GLY A 31 12.600 4.539 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.994 5.815 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.596 6.521 10.080 1.00 0.00 H new ATOM 164 N GLU A 32 12.207 7.614 7.453 1.00 0.00 N ATOM 165 CA GLU A 32 11.711 8.795 6.764 1.00 0.00 C ATOM 166 C GLU A 32 10.251 8.611 6.337 1.00 0.00 C ATOM 167 O GLU A 32 9.897 7.593 5.752 1.00 0.00 O ATOM 168 CB GLU A 32 12.572 9.083 5.525 1.00 0.00 C ATOM 169 CG GLU A 32 12.150 10.330 4.766 1.00 0.00 C ATOM 170 CD GLU A 32 12.815 11.586 5.294 1.00 0.00 C ATOM 171 OE1 GLU A 32 12.573 11.937 6.476 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.577 12.219 4.540 1.00 0.00 O ATOM 0 H GLU A 32 12.519 6.863 6.838 1.00 0.00 H new ATOM 0 HA GLU A 32 11.769 9.636 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.612 9.190 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.525 8.226 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.396 10.209 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.068 10.442 4.831 1.00 0.00 H new ATOM 179 N PRO A 33 9.381 9.595 6.637 1.00 0.00 N ATOM 180 CA PRO A 33 7.959 9.525 6.277 1.00 0.00 C ATOM 181 C PRO A 33 7.749 9.515 4.766 1.00 0.00 C ATOM 182 O PRO A 33 8.447 10.213 4.030 1.00 0.00 O ATOM 183 CB PRO A 33 7.357 10.799 6.896 1.00 0.00 C ATOM 184 CG PRO A 33 8.369 11.283 7.871 1.00 0.00 C ATOM 185 CD PRO A 33 9.703 10.846 7.348 1.00 0.00 C ATOM 0 HA PRO A 33 7.495 8.608 6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.158 11.550 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.408 10.586 7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.327 12.368 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.185 10.866 8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.139 11.590 6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.419 10.681 8.153 1.00 0.00 H new ATOM 193 N LEU A 34 6.786 8.723 4.316 1.00 0.00 N ATOM 194 CA LEU A 34 6.489 8.628 2.883 1.00 0.00 C ATOM 195 C LEU A 34 4.983 8.563 2.643 1.00 0.00 C ATOM 196 O LEU A 34 4.251 7.916 3.394 1.00 0.00 O ATOM 197 CB LEU A 34 7.169 7.397 2.279 1.00 0.00 C ATOM 198 CG LEU A 34 8.534 7.662 1.639 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.432 8.771 0.603 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.564 8.016 2.712 1.00 0.00 C ATOM 0 H LEU A 34 6.199 8.139 4.912 1.00 0.00 H new ATOM 0 HA LEU A 34 6.878 9.523 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.290 6.647 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.508 6.968 1.526 1.00 0.00 H new ATOM 0 HG LEU A 34 8.863 6.754 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.412 8.945 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.728 8.478 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.083 9.686 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.530 8.202 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.242 8.911 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.656 7.188 3.415 1.00 0.00 H new ATOM 212 N VAL A 35 4.526 9.239 1.593 1.00 0.00 N ATOM 213 CA VAL A 35 3.107 9.258 1.253 1.00 0.00 C ATOM 214 C VAL A 35 2.881 8.838 -0.181 1.00 0.00 C ATOM 215 O VAL A 35 3.659 9.191 -1.067 1.00 0.00 O ATOM 216 CB VAL A 35 2.494 10.656 1.480 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.988 10.619 1.272 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.834 11.177 2.861 1.00 0.00 C ATOM 0 H VAL A 35 5.118 9.781 0.963 1.00 0.00 H new ATOM 0 HA VAL A 35 2.613 8.545 1.913 1.00 0.00 H new ATOM 0 HB VAL A 35 2.924 11.340 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.573 11.614 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.769 10.298 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.540 9.918 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.391 12.164 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.440 10.495 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.917 11.248 2.967 1.00 0.00 H new ATOM 228 N LEU A 36 1.812 8.083 -0.424 1.00 0.00 N ATOM 229 CA LEU A 36 1.487 7.616 -1.758 1.00 0.00 C ATOM 230 C LEU A 36 -0.023 7.625 -1.987 1.00 0.00 C ATOM 231 O LEU A 36 -0.797 7.285 -1.094 1.00 0.00 O ATOM 232 CB LEU A 36 2.043 6.207 -1.981 1.00 0.00 C ATOM 233 CG LEU A 36 3.213 6.124 -2.961 1.00 0.00 C ATOM 234 CD1 LEU A 36 3.672 4.683 -3.123 1.00 0.00 C ATOM 235 CD2 LEU A 36 2.822 6.715 -4.307 1.00 0.00 C ATOM 0 H LEU A 36 1.155 7.783 0.296 1.00 0.00 H new ATOM 0 HA LEU A 36 1.948 8.296 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.363 5.802 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.238 5.568 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 36 4.043 6.705 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.506 4.643 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.992 4.292 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.848 4.079 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.666 6.648 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.977 6.161 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.542 7.760 -4.178 1.00 0.00 H new ATOM 247 N LYS A 37 -0.432 8.020 -3.189 1.00 0.00 N ATOM 248 CA LYS A 37 -1.850 8.077 -3.540 1.00 0.00 C ATOM 249 C LYS A 37 -2.225 6.958 -4.508 1.00 0.00 C ATOM 250 O LYS A 37 -1.600 6.794 -5.556 1.00 0.00 O ATOM 251 CB LYS A 37 -2.192 9.434 -4.151 1.00 0.00 C ATOM 252 CG LYS A 37 -1.571 10.612 -3.418 1.00 0.00 C ATOM 253 CD LYS A 37 -0.306 11.098 -4.109 1.00 0.00 C ATOM 254 CE LYS A 37 -0.545 12.395 -4.876 1.00 0.00 C ATOM 255 NZ LYS A 37 -0.602 12.175 -6.339 1.00 0.00 N ATOM 0 H LYS A 37 0.198 8.306 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.427 7.943 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.860 9.448 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.275 9.555 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.292 11.428 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.338 10.322 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.477 11.253 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.052 10.330 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.479 12.847 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.252 13.103 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.766 13.082 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.298 11.768 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.378 11.520 -6.562 1.00 0.00 H new ATOM 269 N CYS A 38 -3.253 6.193 -4.143 1.00 0.00 N ATOM 270 CA CYS A 38 -3.719 5.093 -4.981 1.00 0.00 C ATOM 271 C CYS A 38 -5.168 5.313 -5.402 1.00 0.00 C ATOM 272 O CYS A 38 -6.076 5.297 -4.570 1.00 0.00 O ATOM 273 CB CYS A 38 -3.586 3.761 -4.237 1.00 0.00 C ATOM 274 SG CYS A 38 -4.153 2.315 -5.200 1.00 0.00 S ATOM 0 H CYS A 38 -3.776 6.315 -3.276 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.098 5.061 -5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.542 3.614 -3.960 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.158 3.815 -3.310 1.00 0.00 H new ATOM 279 N LYS A 39 -5.379 5.522 -6.698 1.00 0.00 N ATOM 280 CA LYS A 39 -6.719 5.749 -7.230 1.00 0.00 C ATOM 281 C LYS A 39 -7.660 4.608 -6.854 1.00 0.00 C ATOM 282 O LYS A 39 -7.226 3.581 -6.340 1.00 0.00 O ATOM 283 CB LYS A 39 -6.669 5.905 -8.751 1.00 0.00 C ATOM 284 CG LYS A 39 -6.217 4.645 -9.477 1.00 0.00 C ATOM 285 CD LYS A 39 -7.241 4.189 -10.507 1.00 0.00 C ATOM 286 CE LYS A 39 -7.757 2.791 -10.203 1.00 0.00 C ATOM 287 NZ LYS A 39 -8.193 2.078 -11.434 1.00 0.00 N ATOM 0 H LYS A 39 -4.639 5.539 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.103 6.669 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.658 6.188 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.993 6.722 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.263 4.832 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.050 3.848 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.076 4.889 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.791 4.203 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.975 2.215 -9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.593 2.857 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.537 1.130 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.957 2.613 -11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.389 1.992 -12.088 1.00 0.00 H new ATOM 301 N GLY A 40 -8.948 4.795 -7.122 1.00 0.00 N ATOM 302 CA GLY A 40 -9.927 3.774 -6.805 1.00 0.00 C ATOM 303 C GLY A 40 -11.267 4.035 -7.462 1.00 0.00 C ATOM 304 O GLY A 40 -11.343 4.712 -8.487 1.00 0.00 O ATOM 0 H GLY A 40 -9.331 5.636 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.551 2.802 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.059 3.724 -5.724 1.00 0.00 H new ATOM 308 N ALA A 41 -12.327 3.492 -6.873 1.00 0.00 N ATOM 309 CA ALA A 41 -13.669 3.666 -7.416 1.00 0.00 C ATOM 310 C ALA A 41 -14.147 5.108 -7.249 1.00 0.00 C ATOM 311 O ALA A 41 -13.504 5.913 -6.584 1.00 0.00 O ATOM 312 CB ALA A 41 -14.636 2.711 -6.726 1.00 0.00 C ATOM 0 H ALA A 41 -12.283 2.930 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.638 3.441 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.637 2.847 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.312 1.683 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.652 2.919 -5.656 1.00 0.00 H new ATOM 318 N PRO A 42 -15.287 5.453 -7.874 1.00 0.00 N ATOM 319 CA PRO A 42 -15.853 6.805 -7.802 1.00 0.00 C ATOM 320 C PRO A 42 -16.128 7.242 -6.365 1.00 0.00 C ATOM 321 O PRO A 42 -15.546 6.709 -5.421 1.00 0.00 O ATOM 322 CB PRO A 42 -17.165 6.694 -8.587 1.00 0.00 C ATOM 323 CG PRO A 42 -16.988 5.504 -9.466 1.00 0.00 C ATOM 324 CD PRO A 42 -16.114 4.554 -8.698 1.00 0.00 C ATOM 0 HA PRO A 42 -15.167 7.551 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.016 6.567 -7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -17.352 7.594 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -17.949 5.047 -9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -16.525 5.783 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.702 3.872 -8.084 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -15.504 3.941 -9.362 1.00 0.00 H new ATOM 332 N LYS A 43 -17.021 8.215 -6.216 1.00 0.00 N ATOM 333 CA LYS A 43 -17.374 8.722 -4.887 1.00 0.00 C ATOM 334 C LYS A 43 -18.657 8.073 -4.384 1.00 0.00 C ATOM 335 O LYS A 43 -19.395 8.669 -3.591 1.00 0.00 O ATOM 336 CB LYS A 43 -17.541 10.242 -4.930 1.00 0.00 C ATOM 337 CG LYS A 43 -17.348 10.914 -3.581 1.00 0.00 C ATOM 338 CD LYS A 43 -17.800 12.365 -3.611 1.00 0.00 C ATOM 339 CE LYS A 43 -18.332 12.811 -2.258 1.00 0.00 C ATOM 340 NZ LYS A 43 -18.969 14.155 -2.336 1.00 0.00 N ATOM 0 H LYS A 43 -17.511 8.667 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.566 8.470 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.825 10.658 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.536 10.479 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.910 10.373 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.297 10.865 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.965 13.001 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.575 12.490 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.058 12.084 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.516 12.836 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.320 14.428 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.269 14.853 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.763 14.124 -3.007 1.00 0.00 H new ATOM 354 N LYS A 44 -18.915 6.847 -4.822 1.00 0.00 N ATOM 355 CA LYS A 44 -20.108 6.119 -4.405 1.00 0.00 C ATOM 356 C LYS A 44 -19.900 5.478 -3.044 1.00 0.00 C ATOM 357 O LYS A 44 -18.791 5.058 -2.702 1.00 0.00 O ATOM 358 CB LYS A 44 -20.462 5.046 -5.437 1.00 0.00 C ATOM 359 CG LYS A 44 -20.518 5.566 -6.863 1.00 0.00 C ATOM 360 CD LYS A 44 -20.135 4.490 -7.865 1.00 0.00 C ATOM 361 CE LYS A 44 -20.643 4.820 -9.268 1.00 0.00 C ATOM 362 NZ LYS A 44 -20.068 3.911 -10.290 1.00 0.00 N ATOM 0 H LYS A 44 -18.313 6.335 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 44 -20.932 6.829 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.726 4.244 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.428 4.612 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.524 5.926 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.845 6.417 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.051 4.382 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.545 3.532 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.730 4.747 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.388 5.851 -9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.712 4.470 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.286 3.369 -9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.803 3.256 -10.625 1.00 0.00 H new ATOM 376 N PRO A 45 -20.965 5.391 -2.228 1.00 0.00 N ATOM 377 CA PRO A 45 -20.885 4.797 -0.882 1.00 0.00 C ATOM 378 C PRO A 45 -20.217 3.422 -0.900 1.00 0.00 C ATOM 379 O PRO A 45 -19.354 3.143 -0.059 1.00 0.00 O ATOM 380 CB PRO A 45 -22.348 4.687 -0.456 1.00 0.00 C ATOM 381 CG PRO A 45 -23.056 5.745 -1.232 1.00 0.00 C ATOM 382 CD PRO A 45 -22.326 5.867 -2.535 1.00 0.00 C ATOM 0 HA PRO A 45 -20.280 5.395 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.751 3.699 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.460 4.843 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.100 5.476 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -23.051 6.692 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.794 5.263 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.317 6.897 -2.893 1.00 0.00 H new ATOM 390 N PRO A 46 -20.600 2.537 -1.834 1.00 0.00 N ATOM 391 CA PRO A 46 -20.025 1.195 -1.937 1.00 0.00 C ATOM 392 C PRO A 46 -18.632 1.216 -2.557 1.00 0.00 C ATOM 393 O PRO A 46 -18.467 0.953 -3.749 1.00 0.00 O ATOM 394 CB PRO A 46 -21.009 0.437 -2.856 1.00 0.00 C ATOM 395 CG PRO A 46 -22.146 1.377 -3.101 1.00 0.00 C ATOM 396 CD PRO A 46 -21.611 2.760 -2.880 1.00 0.00 C ATOM 0 HA PRO A 46 -19.903 0.732 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.529 0.152 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -21.356 -0.482 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -22.529 1.267 -4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -22.974 1.169 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -21.174 3.177 -3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -22.389 3.451 -2.554 1.00 0.00 H new ATOM 404 N GLN A 47 -17.631 1.535 -1.752 1.00 0.00 N ATOM 405 CA GLN A 47 -16.253 1.593 -2.217 1.00 0.00 C ATOM 406 C GLN A 47 -15.431 0.438 -1.654 1.00 0.00 C ATOM 407 O GLN A 47 -14.871 0.536 -0.561 1.00 0.00 O ATOM 408 CB GLN A 47 -15.613 2.928 -1.836 1.00 0.00 C ATOM 409 CG GLN A 47 -15.690 3.980 -2.932 1.00 0.00 C ATOM 410 CD GLN A 47 -14.576 5.004 -2.836 1.00 0.00 C ATOM 411 OE1 GLN A 47 -14.583 5.866 -1.950 1.00 0.00 O ATOM 412 NE2 GLN A 47 -13.612 4.916 -3.738 1.00 0.00 N ATOM 0 H GLN A 47 -17.749 1.760 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.265 1.505 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.102 3.313 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.567 2.759 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.645 3.490 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.652 4.489 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.646 4.188 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.834 5.576 -3.719 1.00 0.00 H new ATOM 421 N ARG A 48 -15.363 -0.655 -2.406 1.00 0.00 N ATOM 422 CA ARG A 48 -14.609 -1.829 -1.992 1.00 0.00 C ATOM 423 C ARG A 48 -13.164 -1.743 -2.466 1.00 0.00 C ATOM 424 O ARG A 48 -12.903 -1.420 -3.625 1.00 0.00 O ATOM 425 CB ARG A 48 -15.267 -3.104 -2.519 1.00 0.00 C ATOM 426 CG ARG A 48 -15.942 -3.937 -1.441 1.00 0.00 C ATOM 427 CD ARG A 48 -15.568 -5.406 -1.551 1.00 0.00 C ATOM 428 NE ARG A 48 -14.211 -5.662 -1.080 1.00 0.00 N ATOM 429 CZ ARG A 48 -13.585 -6.829 -1.205 1.00 0.00 C ATOM 430 NH1 ARG A 48 -14.189 -7.850 -1.808 1.00 0.00 N ATOM 431 NH2 ARG A 48 -12.351 -6.976 -0.748 1.00 0.00 N ATOM 0 H ARG A 48 -15.824 -0.751 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.609 -1.863 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.006 -2.835 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.512 -3.713 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.657 -3.561 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.024 -3.830 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.272 -6.003 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.658 -5.726 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.711 -4.898 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.134 -7.739 -2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.707 -8.744 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.877 -6.193 -0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.874 -7.872 -0.846 1.00 0.00 H new ATOM 445 N LEU A 49 -12.227 -2.033 -1.569 1.00 0.00 N ATOM 446 CA LEU A 49 -10.808 -1.986 -1.912 1.00 0.00 C ATOM 447 C LEU A 49 -10.001 -2.894 -0.983 1.00 0.00 C ATOM 448 O LEU A 49 -10.296 -3.009 0.191 1.00 0.00 O ATOM 449 CB LEU A 49 -10.290 -0.550 -1.809 1.00 0.00 C ATOM 450 CG LEU A 49 -8.813 -0.368 -2.177 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.648 0.760 -3.185 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.982 -0.098 -0.940 1.00 0.00 C ATOM 0 H LEU A 49 -12.422 -2.302 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.689 -2.338 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.892 0.085 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.441 -0.197 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.459 -1.293 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.593 0.874 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.211 0.526 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.022 1.689 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.937 0.028 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.338 0.810 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.072 -0.938 -0.251 1.00 0.00 H new ATOM 464 N GLU A 50 -8.982 -3.538 -1.548 1.00 0.00 N ATOM 465 CA GLU A 50 -8.132 -4.437 -0.769 1.00 0.00 C ATOM 466 C GLU A 50 -6.656 -4.157 -1.037 1.00 0.00 C ATOM 467 O GLU A 50 -6.247 -3.976 -2.192 1.00 0.00 O ATOM 468 CB GLU A 50 -8.455 -5.894 -1.106 1.00 0.00 C ATOM 469 CG GLU A 50 -8.260 -6.236 -2.575 1.00 0.00 C ATOM 470 CD GLU A 50 -9.352 -7.140 -3.113 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.537 -6.748 -3.048 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.024 -8.240 -3.605 1.00 0.00 O ATOM 0 H GLU A 50 -8.726 -3.456 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.331 -4.262 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.824 -6.546 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.488 -6.103 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.235 -5.316 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.293 -6.722 -2.706 1.00 0.00 H new ATOM 479 N TRP A 51 -5.862 -4.125 0.020 1.00 0.00 N ATOM 480 CA TRP A 51 -4.432 -3.870 -0.091 1.00 0.00 C ATOM 481 C TRP A 51 -3.643 -5.174 -0.034 1.00 0.00 C ATOM 482 O TRP A 51 -3.846 -5.993 0.846 1.00 0.00 O ATOM 483 CB TRP A 51 -3.967 -2.925 1.005 1.00 0.00 C ATOM 484 CG TRP A 51 -3.163 -1.765 0.503 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.517 -0.889 -0.467 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.868 -1.355 0.968 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.522 0.041 -0.650 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.500 -0.224 0.216 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.987 -1.834 1.933 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.288 0.434 0.398 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.216 -1.179 2.121 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.556 -0.055 1.357 1.00 0.00 C ATOM 0 H TRP A 51 -6.186 -4.274 0.976 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.249 -3.398 -1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.838 -2.547 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.370 -3.485 1.725 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.446 -0.917 -1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.543 0.806 -1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.239 -2.702 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -0.024 1.297 -0.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.905 -1.540 2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.503 0.435 1.529 1.00 0.00 H new ATOM 503 N LYS A 52 -2.745 -5.363 -1.004 1.00 0.00 N ATOM 504 CA LYS A 52 -1.933 -6.572 -1.049 1.00 0.00 C ATOM 505 C LYS A 52 -0.498 -6.250 -1.453 1.00 0.00 C ATOM 506 O LYS A 52 -0.260 -5.615 -2.488 1.00 0.00 O ATOM 507 CB LYS A 52 -2.538 -7.576 -2.034 1.00 0.00 C ATOM 508 CG LYS A 52 -3.797 -8.251 -1.517 1.00 0.00 C ATOM 509 CD LYS A 52 -4.344 -9.254 -2.528 1.00 0.00 C ATOM 510 CE LYS A 52 -5.847 -9.424 -2.374 1.00 0.00 C ATOM 511 NZ LYS A 52 -6.215 -10.005 -1.053 1.00 0.00 N ATOM 0 H LYS A 52 -2.566 -4.700 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.920 -7.010 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.768 -7.063 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.795 -8.339 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.580 -8.760 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.555 -7.497 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.115 -8.917 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.851 -10.217 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.334 -8.456 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.221 -10.068 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.244 -10.150 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.731 -10.917 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.927 -9.354 -0.295 1.00 0.00 H new ATOM 525 N LEU A 53 0.453 -6.694 -0.639 1.00 0.00 N ATOM 526 CA LEU A 53 1.865 -6.453 -0.920 1.00 0.00 C ATOM 527 C LEU A 53 2.724 -7.595 -0.377 1.00 0.00 C ATOM 528 O LEU A 53 2.362 -8.253 0.582 1.00 0.00 O ATOM 529 CB LEU A 53 2.310 -5.129 -0.290 1.00 0.00 C ATOM 530 CG LEU A 53 2.087 -5.015 1.205 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.336 -4.482 1.900 1.00 0.00 C ATOM 532 CD2 LEU A 53 0.893 -4.120 1.501 1.00 0.00 C ATOM 0 H LEU A 53 0.274 -7.220 0.216 1.00 0.00 H new ATOM 0 HA LEU A 53 1.995 -6.399 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.371 -4.987 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.779 -4.315 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 53 1.878 -6.012 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.153 -4.409 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.170 -5.160 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.579 -3.496 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.749 -4.050 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.074 -3.125 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.001 -4.542 1.042 1.00 0.00 H new ATOM 544 N ASN A 54 3.863 -7.824 -1.022 1.00 0.00 N ATOM 545 CA ASN A 54 4.775 -8.884 -0.610 1.00 0.00 C ATOM 546 C ASN A 54 6.019 -8.302 0.037 1.00 0.00 C ATOM 547 O ASN A 54 6.797 -7.592 -0.582 1.00 0.00 O ATOM 548 CB ASN A 54 5.177 -9.738 -1.824 1.00 0.00 C ATOM 549 CG ASN A 54 4.271 -10.939 -2.002 1.00 0.00 C ATOM 550 OD1 ASN A 54 4.435 -11.963 -1.348 1.00 0.00 O ATOM 551 ND2 ASN A 54 3.308 -10.818 -2.909 1.00 0.00 N ATOM 0 H ASN A 54 4.176 -7.289 -1.832 1.00 0.00 H new ATOM 0 HA ASN A 54 4.261 -9.511 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.146 -9.124 -2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.206 -10.076 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.670 -11.595 -3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.206 -9.948 -3.432 1.00 0.00 H new ATOM 558 N THR A 55 6.197 -8.604 1.319 1.00 0.00 N ATOM 559 CA THR A 55 7.345 -8.108 2.069 1.00 0.00 C ATOM 560 C THR A 55 8.395 -9.199 2.247 1.00 0.00 C ATOM 561 O THR A 55 8.140 -10.372 1.970 1.00 0.00 O ATOM 562 CB THR A 55 6.902 -7.580 3.444 1.00 0.00 C ATOM 563 OG1 THR A 55 5.489 -7.524 3.523 1.00 0.00 O ATOM 564 CG2 THR A 55 7.436 -6.199 3.745 1.00 0.00 C ATOM 0 H THR A 55 5.561 -9.190 1.860 1.00 0.00 H new ATOM 0 HA THR A 55 7.788 -7.291 1.500 1.00 0.00 H new ATOM 0 HB THR A 55 7.310 -8.278 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.155 -8.321 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.089 -5.881 4.728 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.526 -6.220 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.079 -5.498 2.990 1.00 0.00 H new ATOM 572 N GLY A 56 9.575 -8.805 2.711 1.00 0.00 N ATOM 573 CA GLY A 56 10.648 -9.756 2.919 1.00 0.00 C ATOM 574 C GLY A 56 10.390 -10.671 4.108 1.00 0.00 C ATOM 575 O GLY A 56 10.613 -11.879 4.018 1.00 0.00 O ATOM 0 H GLY A 56 9.807 -7.840 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.774 -10.360 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.582 -9.217 3.075 1.00 0.00 H new ATOM 579 N ARG A 57 9.923 -10.094 5.202 1.00 0.00 N ATOM 580 CA ARG A 57 9.636 -10.865 6.407 1.00 0.00 C ATOM 581 C ARG A 57 8.132 -11.009 6.617 1.00 0.00 C ATOM 582 O ARG A 57 7.555 -12.060 6.337 1.00 0.00 O ATOM 583 CB ARG A 57 10.276 -10.199 7.627 1.00 0.00 C ATOM 584 CG ARG A 57 11.636 -10.773 7.989 1.00 0.00 C ATOM 585 CD ARG A 57 12.764 -9.982 7.346 1.00 0.00 C ATOM 586 NE ARG A 57 13.078 -8.768 8.104 1.00 0.00 N ATOM 587 CZ ARG A 57 13.742 -8.760 9.250 1.00 0.00 C ATOM 588 NH1 ARG A 57 14.162 -9.898 9.789 1.00 0.00 N ATOM 589 NH2 ARG A 57 13.986 -7.612 9.867 1.00 0.00 N ATOM 0 H ARG A 57 9.733 -9.095 5.284 1.00 0.00 H new ATOM 0 HA ARG A 57 10.061 -11.861 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.381 -9.131 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.607 -10.305 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.758 -10.767 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.690 -11.813 7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.654 -10.608 7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.484 -9.713 6.328 1.00 0.00 H new ATOM 0 HE ARG A 57 12.766 -7.874 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.974 -10.784 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.673 -9.886 10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.662 -6.735 9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.497 -7.606 10.750 1.00 0.00 H new ATOM 603 N THR A 58 7.501 -9.948 7.111 1.00 0.00 N ATOM 604 CA THR A 58 6.063 -9.960 7.357 1.00 0.00 C ATOM 605 C THR A 58 5.579 -8.595 7.837 1.00 0.00 C ATOM 606 O THR A 58 6.341 -7.628 7.859 1.00 0.00 O ATOM 607 CB THR A 58 5.711 -11.034 8.390 1.00 0.00 C ATOM 608 OG1 THR A 58 6.852 -11.394 9.149 1.00 0.00 O ATOM 609 CG2 THR A 58 5.152 -12.298 7.775 1.00 0.00 C ATOM 0 H THR A 58 7.962 -9.070 7.349 1.00 0.00 H new ATOM 0 HA THR A 58 5.561 -10.191 6.417 1.00 0.00 H new ATOM 0 HB THR A 58 4.943 -10.586 9.020 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.606 -12.080 9.804 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.924 -13.016 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.241 -12.063 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.887 -12.727 7.094 1.00 0.00 H new ATOM 617 N GLU A 59 4.308 -8.526 8.223 1.00 0.00 N ATOM 618 CA GLU A 59 3.721 -7.280 8.703 1.00 0.00 C ATOM 619 C GLU A 59 3.768 -6.204 7.623 1.00 0.00 C ATOM 620 O GLU A 59 4.783 -5.530 7.449 1.00 0.00 O ATOM 621 CB GLU A 59 4.457 -6.795 9.954 1.00 0.00 C ATOM 622 CG GLU A 59 3.888 -5.509 10.533 1.00 0.00 C ATOM 623 CD GLU A 59 4.267 -5.307 11.987 1.00 0.00 C ATOM 624 OE1 GLU A 59 5.479 -5.237 12.281 1.00 0.00 O ATOM 625 OE2 GLU A 59 3.352 -5.219 12.840 1.00 0.00 O ATOM 0 H GLU A 59 3.666 -9.318 8.213 1.00 0.00 H new ATOM 0 HA GLU A 59 2.678 -7.472 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.417 -7.575 10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.508 -6.640 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.245 -4.662 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.802 -5.524 10.443 1.00 0.00 H new ATOM 632 N ALA A 60 2.663 -6.049 6.908 1.00 0.00 N ATOM 633 CA ALA A 60 2.581 -5.055 5.844 1.00 0.00 C ATOM 634 C ALA A 60 1.204 -5.049 5.190 1.00 0.00 C ATOM 635 O ALA A 60 0.436 -4.099 5.344 1.00 0.00 O ATOM 636 CB ALA A 60 3.656 -5.310 4.789 1.00 0.00 C ATOM 0 H ALA A 60 1.813 -6.596 7.043 1.00 0.00 H new ATOM 0 HA ALA A 60 2.747 -4.077 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.580 -4.559 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.641 -5.252 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.515 -6.301 4.358 1.00 0.00 H new ATOM 642 N TRP A 61 0.908 -6.117 4.473 1.00 0.00 N ATOM 643 CA TRP A 61 -0.373 -6.257 3.796 1.00 0.00 C ATOM 644 C TRP A 61 -1.536 -6.177 4.771 1.00 0.00 C ATOM 645 O TRP A 61 -1.651 -6.998 5.681 1.00 0.00 O ATOM 646 CB TRP A 61 -0.426 -7.579 3.022 1.00 0.00 C ATOM 647 CG TRP A 61 -0.065 -8.769 3.859 1.00 0.00 C ATOM 648 CD1 TRP A 61 -0.908 -9.511 4.637 1.00 0.00 C ATOM 649 CD2 TRP A 61 1.235 -9.355 4.003 1.00 0.00 C ATOM 650 NE1 TRP A 61 -0.212 -10.521 5.255 1.00 0.00 N ATOM 651 CE2 TRP A 61 1.104 -10.447 4.881 1.00 0.00 C ATOM 652 CE3 TRP A 61 2.495 -9.063 3.474 1.00 0.00 C ATOM 653 CZ2 TRP A 61 2.187 -11.247 5.241 1.00 0.00 C ATOM 654 CZ3 TRP A 61 3.568 -9.857 3.831 1.00 0.00 C ATOM 655 CH2 TRP A 61 3.408 -10.938 4.707 1.00 0.00 C ATOM 0 H TRP A 61 1.540 -6.907 4.342 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.466 -5.427 3.096 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.430 -7.717 2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.253 -7.522 2.171 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.967 -9.330 4.750 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.610 -11.214 5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.628 -8.231 2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 2.067 -12.081 5.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.546 -9.640 3.428 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.266 -11.540 4.966 1.00 0.00 H new ATOM 666 N LYS A 62 -2.398 -5.183 4.578 1.00 0.00 N ATOM 667 CA LYS A 62 -3.556 -4.995 5.443 1.00 0.00 C ATOM 668 C LYS A 62 -4.845 -4.952 4.627 1.00 0.00 C ATOM 669 O LYS A 62 -4.868 -4.430 3.513 1.00 0.00 O ATOM 670 CB LYS A 62 -3.408 -3.705 6.260 1.00 0.00 C ATOM 671 CG LYS A 62 -4.564 -3.448 7.206 1.00 0.00 C ATOM 672 CD LYS A 62 -5.553 -2.451 6.625 1.00 0.00 C ATOM 673 CE LYS A 62 -6.519 -1.944 7.692 1.00 0.00 C ATOM 674 NZ LYS A 62 -7.116 -0.632 7.311 1.00 0.00 N ATOM 0 H LYS A 62 -2.315 -4.495 3.829 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.609 -5.843 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.483 -3.753 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.315 -2.861 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.076 -4.387 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.181 -3.071 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.012 -1.610 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.114 -2.920 5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.313 -2.676 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.993 -1.844 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.767 -0.317 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.360 0.072 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.638 -0.735 6.417 1.00 0.00 H new ATOM 688 N VAL A 63 -5.915 -5.505 5.191 1.00 0.00 N ATOM 689 CA VAL A 63 -7.206 -5.531 4.515 1.00 0.00 C ATOM 690 C VAL A 63 -8.089 -4.375 4.977 1.00 0.00 C ATOM 691 O VAL A 63 -8.149 -4.063 6.166 1.00 0.00 O ATOM 692 CB VAL A 63 -7.947 -6.859 4.772 1.00 0.00 C ATOM 693 CG1 VAL A 63 -9.218 -6.928 3.931 1.00 0.00 C ATOM 694 CG2 VAL A 63 -7.039 -8.043 4.462 1.00 0.00 C ATOM 0 H VAL A 63 -5.913 -5.940 6.113 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.008 -5.433 3.448 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.225 -6.903 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.730 -7.871 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.874 -6.098 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.959 -6.864 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.577 -8.973 4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.734 -8.004 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.156 -8.001 5.099 1.00 0.00 H new ATOM 704 N LEU A 64 -8.772 -3.744 4.036 1.00 0.00 N ATOM 705 CA LEU A 64 -9.652 -2.623 4.337 1.00 0.00 C ATOM 706 C LEU A 64 -11.072 -3.106 4.610 1.00 0.00 C ATOM 707 O LEU A 64 -11.658 -3.830 3.806 1.00 0.00 O ATOM 708 CB LEU A 64 -9.655 -1.618 3.183 1.00 0.00 C ATOM 709 CG LEU A 64 -8.282 -1.060 2.805 1.00 0.00 C ATOM 710 CD1 LEU A 64 -7.611 -1.948 1.771 1.00 0.00 C ATOM 711 CD2 LEU A 64 -8.412 0.365 2.292 1.00 0.00 C ATOM 0 H LEU A 64 -8.734 -3.991 3.047 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.275 -2.130 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.089 -2.097 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.308 -0.786 3.448 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.656 -1.046 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.635 -1.535 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.484 -2.951 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.231 -1.997 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.426 0.748 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.055 0.378 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.848 0.993 3.069 1.00 0.00 H new ATOM 723 N SER A 65 -11.620 -2.700 5.760 1.00 0.00 N ATOM 724 CA SER A 65 -12.972 -3.092 6.140 1.00 0.00 C ATOM 725 C SER A 65 -13.912 -1.889 6.132 1.00 0.00 C ATOM 726 O SER A 65 -13.465 -0.742 6.107 1.00 0.00 O ATOM 727 CB SER A 65 -12.966 -3.739 7.519 1.00 0.00 C ATOM 728 OG SER A 65 -11.850 -3.309 8.278 1.00 0.00 O ATOM 0 H SER A 65 -11.147 -2.103 6.438 1.00 0.00 H new ATOM 0 HA SER A 65 -13.333 -3.815 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.887 -3.488 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.943 -4.824 7.415 1.00 0.00 H new ATOM 0 HG SER A 65 -11.869 -3.737 9.159 1.00 0.00 H new ATOM 734 N PRO A 66 -15.233 -2.136 6.137 1.00 0.00 N ATOM 735 CA PRO A 66 -16.238 -1.068 6.140 1.00 0.00 C ATOM 736 C PRO A 66 -16.267 -0.299 7.456 1.00 0.00 C ATOM 737 O PRO A 66 -17.067 -0.596 8.335 1.00 0.00 O ATOM 738 CB PRO A 66 -17.554 -1.817 5.928 1.00 0.00 C ATOM 739 CG PRO A 66 -17.299 -3.188 6.443 1.00 0.00 C ATOM 740 CD PRO A 66 -15.850 -3.475 6.159 1.00 0.00 C ATOM 0 HA PRO A 66 -16.033 -0.316 5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.372 -1.338 6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.833 -1.836 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.507 -3.248 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.945 -3.916 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.408 -4.108 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.722 -3.992 5.208 1.00 0.00 H new ATOM 748 N GLN A 67 -15.388 0.692 7.576 1.00 0.00 N ATOM 749 CA GLN A 67 -15.310 1.507 8.784 1.00 0.00 C ATOM 750 C GLN A 67 -14.845 0.672 9.965 1.00 0.00 C ATOM 751 O GLN A 67 -15.653 0.243 10.789 1.00 0.00 O ATOM 752 CB GLN A 67 -16.668 2.141 9.082 1.00 0.00 C ATOM 753 CG GLN A 67 -16.613 3.208 10.163 1.00 0.00 C ATOM 754 CD GLN A 67 -17.742 4.214 10.047 1.00 0.00 C ATOM 755 OE1 GLN A 67 -18.602 4.302 10.932 1.00 0.00 O ATOM 756 NE2 GLN A 67 -17.744 4.980 8.963 1.00 0.00 N ATOM 0 H GLN A 67 -14.719 0.950 6.850 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.582 2.301 8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.063 2.582 8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.365 1.361 9.387 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.656 2.731 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.658 3.730 10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.013 4.871 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.476 5.678 8.833 1.00 0.00 H new ATOM 765 N GLY A 68 -13.538 0.445 10.047 1.00 0.00 N ATOM 766 CA GLY A 68 -12.988 -0.338 11.138 1.00 0.00 C ATOM 767 C GLY A 68 -11.552 0.036 11.453 1.00 0.00 C ATOM 768 O GLY A 68 -11.232 1.213 11.617 1.00 0.00 O ATOM 0 H GLY A 68 -12.850 0.789 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.601 -0.196 12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.037 -1.396 10.882 1.00 0.00 H new ATOM 772 N GLY A 69 -10.685 -0.968 11.537 1.00 0.00 N ATOM 773 CA GLY A 69 -9.287 -0.718 11.833 1.00 0.00 C ATOM 774 C GLY A 69 -8.434 -1.965 11.702 1.00 0.00 C ATOM 775 O GLY A 69 -8.861 -2.960 11.115 1.00 0.00 O ATOM 0 H GLY A 69 -10.926 -1.950 11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.908 0.050 11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.198 -0.325 12.846 1.00 0.00 H new ATOM 779 N GLY A 70 -7.223 -1.911 12.256 1.00 0.00 N ATOM 780 CA GLY A 70 -6.326 -3.050 12.179 1.00 0.00 C ATOM 781 C GLY A 70 -4.958 -2.747 12.761 1.00 0.00 C ATOM 782 O GLY A 70 -4.694 -1.618 13.184 1.00 0.00 O ATOM 0 H GLY A 70 -6.850 -1.103 12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.766 -3.893 12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.216 -3.353 11.138 1.00 0.00 H new ATOM 786 N PRO A 71 -4.056 -3.743 12.805 1.00 0.00 N ATOM 787 CA PRO A 71 -2.705 -3.561 13.347 1.00 0.00 C ATOM 788 C PRO A 71 -1.842 -2.671 12.459 1.00 0.00 C ATOM 789 O PRO A 71 -1.176 -1.754 12.948 1.00 0.00 O ATOM 790 CB PRO A 71 -2.142 -4.984 13.387 1.00 0.00 C ATOM 791 CG PRO A 71 -2.906 -5.724 12.345 1.00 0.00 C ATOM 792 CD PRO A 71 -4.283 -5.121 12.333 1.00 0.00 C ATOM 0 HA PRO A 71 -2.718 -3.068 14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.073 -4.993 13.175 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.275 -5.435 14.370 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.429 -5.627 11.370 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.948 -6.789 12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.720 -5.137 11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.965 -5.663 12.988 1.00 0.00 H new ATOM 800 N TRP A 72 -1.860 -2.948 11.159 1.00 0.00 N ATOM 801 CA TRP A 72 -1.079 -2.172 10.202 1.00 0.00 C ATOM 802 C TRP A 72 -1.526 -0.711 10.185 1.00 0.00 C ATOM 803 O TRP A 72 -0.767 0.173 9.800 1.00 0.00 O ATOM 804 CB TRP A 72 -1.209 -2.776 8.802 1.00 0.00 C ATOM 805 CG TRP A 72 -0.463 -2.012 7.750 1.00 0.00 C ATOM 806 CD1 TRP A 72 0.884 -2.026 7.527 1.00 0.00 C ATOM 807 CD2 TRP A 72 -1.023 -1.119 6.781 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.196 -1.196 6.477 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.042 -0.628 6.012 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.322 -0.688 6.497 1.00 0.00 C ATOM 811 CZ2 TRP A 72 -0.153 0.273 4.968 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -2.513 0.206 5.461 1.00 0.00 C ATOM 813 CH2 TRP A 72 -1.435 0.678 4.703 1.00 0.00 C ATOM 0 H TRP A 72 -2.406 -3.703 10.744 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.034 -2.206 10.511 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.843 -3.803 8.822 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.264 -2.819 8.530 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.599 -2.604 8.093 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.132 -1.031 6.106 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.160 -1.047 7.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.679 0.641 4.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.512 0.547 5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.617 1.373 3.896 1.00 0.00 H new ATOM 824 N ASP A 73 -2.762 -0.465 10.613 1.00 0.00 N ATOM 825 CA ASP A 73 -3.306 0.890 10.652 1.00 0.00 C ATOM 826 C ASP A 73 -2.387 1.831 11.417 1.00 0.00 C ATOM 827 O ASP A 73 -2.110 2.946 10.975 1.00 0.00 O ATOM 828 CB ASP A 73 -4.699 0.888 11.284 1.00 0.00 C ATOM 829 CG ASP A 73 -5.477 2.150 10.963 1.00 0.00 C ATOM 830 OD1 ASP A 73 -5.897 2.316 9.797 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.668 2.974 11.882 1.00 0.00 O ATOM 0 H ASP A 73 -3.406 -1.186 10.938 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.382 1.249 9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.255 0.020 10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.605 0.786 12.365 1.00 0.00 H new ATOM 836 N SER A 74 -1.915 1.374 12.580 1.00 0.00 N ATOM 837 CA SER A 74 -1.025 2.175 13.405 1.00 0.00 C ATOM 838 C SER A 74 0.285 2.470 12.688 1.00 0.00 C ATOM 839 O SER A 74 0.990 3.421 13.017 1.00 0.00 O ATOM 840 CB SER A 74 -0.741 1.453 14.732 1.00 0.00 C ATOM 841 OG SER A 74 -0.321 2.366 15.732 1.00 0.00 O ATOM 0 H SER A 74 -2.137 0.456 12.965 1.00 0.00 H new ATOM 0 HA SER A 74 -1.522 3.124 13.606 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.639 0.932 15.065 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.029 0.696 14.580 1.00 0.00 H new ATOM 0 HG SER A 74 -0.149 1.881 16.566 1.00 0.00 H new ATOM 847 N VAL A 75 0.602 1.651 11.692 1.00 0.00 N ATOM 848 CA VAL A 75 1.826 1.826 10.911 1.00 0.00 C ATOM 849 C VAL A 75 1.596 2.755 9.723 1.00 0.00 C ATOM 850 O VAL A 75 2.491 3.497 9.321 1.00 0.00 O ATOM 851 CB VAL A 75 2.362 0.476 10.397 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.716 0.658 9.727 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.456 -0.532 11.534 1.00 0.00 C ATOM 0 H VAL A 75 0.029 0.858 11.404 1.00 0.00 H new ATOM 0 HA VAL A 75 2.564 2.272 11.578 1.00 0.00 H new ATOM 0 HB VAL A 75 1.663 0.090 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.078 -0.306 9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.616 1.342 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.425 1.069 10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.836 -1.479 11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.132 -0.153 12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.467 -0.687 11.966 1.00 0.00 H new ATOM 863 N ALA A 76 0.389 2.709 9.169 1.00 0.00 N ATOM 864 CA ALA A 76 0.039 3.547 8.029 1.00 0.00 C ATOM 865 C ALA A 76 -1.466 3.784 7.967 1.00 0.00 C ATOM 866 O ALA A 76 -2.257 2.849 8.089 1.00 0.00 O ATOM 867 CB ALA A 76 0.529 2.912 6.737 1.00 0.00 C ATOM 0 H ALA A 76 -0.363 2.100 9.491 1.00 0.00 H new ATOM 0 HA ALA A 76 0.529 4.513 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.261 3.549 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.612 2.798 6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.066 1.933 6.614 1.00 0.00 H new ATOM 873 N ARG A 77 -1.855 5.041 7.777 1.00 0.00 N ATOM 874 CA ARG A 77 -3.266 5.400 7.708 1.00 0.00 C ATOM 875 C ARG A 77 -3.622 5.910 6.316 1.00 0.00 C ATOM 876 O ARG A 77 -2.847 6.632 5.683 1.00 0.00 O ATOM 877 CB ARG A 77 -3.601 6.463 8.756 1.00 0.00 C ATOM 878 CG ARG A 77 -3.231 6.057 10.165 1.00 0.00 C ATOM 879 CD ARG A 77 -4.382 5.352 10.863 1.00 0.00 C ATOM 880 NE ARG A 77 -4.834 6.080 12.045 1.00 0.00 N ATOM 881 CZ ARG A 77 -4.208 6.047 13.228 1.00 0.00 C ATOM 882 NH1 ARG A 77 -3.106 5.323 13.380 1.00 0.00 N ATOM 883 NH2 ARG A 77 -4.685 6.739 14.245 1.00 0.00 N ATOM 0 H ARG A 77 -1.213 5.826 7.668 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.855 4.506 7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.081 7.387 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.669 6.677 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.362 5.399 10.139 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.944 6.940 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.213 5.239 10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.070 4.349 11.153 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.677 6.648 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.734 4.790 12.594 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.631 5.300 14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.530 7.298 14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.209 6.714 15.147 1.00 0.00 H new ATOM 897 N VAL A 78 -4.801 5.527 5.836 1.00 0.00 N ATOM 898 CA VAL A 78 -5.260 5.944 4.509 1.00 0.00 C ATOM 899 C VAL A 78 -5.987 7.283 4.579 1.00 0.00 C ATOM 900 O VAL A 78 -6.875 7.477 5.409 1.00 0.00 O ATOM 901 CB VAL A 78 -6.199 4.895 3.883 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.517 5.256 2.441 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.582 3.508 3.971 1.00 0.00 C ATOM 0 H VAL A 78 -5.456 4.931 6.341 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.373 6.045 3.883 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.133 4.888 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.181 4.504 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.004 6.230 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.594 5.293 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.259 2.780 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.633 3.497 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.412 3.251 5.017 1.00 0.00 H new ATOM 913 N LEU A 79 -5.606 8.203 3.699 1.00 0.00 N ATOM 914 CA LEU A 79 -6.223 9.523 3.659 1.00 0.00 C ATOM 915 C LEU A 79 -7.606 9.457 3.015 1.00 0.00 C ATOM 916 O LEU A 79 -7.847 8.636 2.129 1.00 0.00 O ATOM 917 CB LEU A 79 -5.330 10.502 2.900 1.00 0.00 C ATOM 918 CG LEU A 79 -4.972 11.781 3.660 1.00 0.00 C ATOM 919 CD1 LEU A 79 -3.636 11.624 4.362 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.939 12.973 2.706 1.00 0.00 C ATOM 0 H LEU A 79 -4.873 8.059 3.004 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.341 9.877 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.407 9.990 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.828 10.778 1.971 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.737 11.963 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.396 12.543 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.691 10.796 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.859 11.421 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.683 13.876 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.192 12.799 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.918 13.096 2.244 1.00 0.00 H new ATOM 932 N PRO A 80 -8.536 10.324 3.454 1.00 0.00 N ATOM 933 CA PRO A 80 -9.900 10.360 2.915 1.00 0.00 C ATOM 934 C PRO A 80 -9.924 10.421 1.391 1.00 0.00 C ATOM 935 O PRO A 80 -10.891 9.999 0.757 1.00 0.00 O ATOM 936 CB PRO A 80 -10.482 11.642 3.511 1.00 0.00 C ATOM 937 CG PRO A 80 -9.720 11.850 4.780 1.00 0.00 C ATOM 938 CD PRO A 80 -8.331 11.337 4.507 1.00 0.00 C ATOM 0 HA PRO A 80 -10.461 9.461 3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.359 12.486 2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.550 11.540 3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.701 12.904 5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.181 11.311 5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.668 12.135 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.882 10.902 5.400 1.00 0.00 H new ATOM 946 N ASN A 81 -8.853 10.950 0.807 1.00 0.00 N ATOM 947 CA ASN A 81 -8.751 11.066 -0.627 1.00 0.00 C ATOM 948 C ASN A 81 -8.296 9.752 -1.263 1.00 0.00 C ATOM 949 O ASN A 81 -8.139 9.667 -2.481 1.00 0.00 O ATOM 950 CB ASN A 81 -7.787 12.189 -0.999 1.00 0.00 C ATOM 951 CG ASN A 81 -8.469 13.307 -1.772 1.00 0.00 C ATOM 952 OD1 ASN A 81 -8.914 14.294 -1.178 1.00 0.00 O ATOM 953 ND2 ASN A 81 -8.554 13.157 -3.081 1.00 0.00 N ATOM 0 H ASN A 81 -8.044 11.304 1.317 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.743 11.301 -1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.342 12.597 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.973 11.781 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.003 13.876 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.170 12.322 -3.525 1.00 0.00 H new ATOM 960 N GLY A 82 -8.082 8.730 -0.437 1.00 0.00 N ATOM 961 CA GLY A 82 -7.645 7.445 -0.956 1.00 0.00 C ATOM 962 C GLY A 82 -6.141 7.374 -1.128 1.00 0.00 C ATOM 963 O GLY A 82 -5.648 6.905 -2.147 1.00 0.00 O ATOM 0 H GLY A 82 -8.202 8.768 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.969 6.654 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.127 7.261 -1.916 1.00 0.00 H new ATOM 967 N SER A 83 -5.409 7.841 -0.114 1.00 0.00 N ATOM 968 CA SER A 83 -3.951 7.832 -0.168 1.00 0.00 C ATOM 969 C SER A 83 -3.374 6.988 0.955 1.00 0.00 C ATOM 970 O SER A 83 -4.102 6.278 1.649 1.00 0.00 O ATOM 971 CB SER A 83 -3.410 9.260 -0.080 1.00 0.00 C ATOM 972 OG SER A 83 -2.080 9.333 -0.555 1.00 0.00 O ATOM 0 H SER A 83 -5.800 8.226 0.746 1.00 0.00 H new ATOM 0 HA SER A 83 -3.648 7.394 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.044 9.928 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.449 9.604 0.954 1.00 0.00 H new ATOM 0 HG SER A 83 -1.820 8.468 -0.934 1.00 0.00 H new ATOM 978 N LEU A 84 -2.061 7.074 1.144 1.00 0.00 N ATOM 979 CA LEU A 84 -1.380 6.321 2.192 1.00 0.00 C ATOM 980 C LEU A 84 -0.200 7.113 2.738 1.00 0.00 C ATOM 981 O LEU A 84 0.573 7.701 1.982 1.00 0.00 O ATOM 982 CB LEU A 84 -0.897 4.974 1.641 1.00 0.00 C ATOM 983 CG LEU A 84 -1.130 3.781 2.580 1.00 0.00 C ATOM 984 CD1 LEU A 84 -2.265 2.911 2.053 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.146 2.963 2.722 1.00 0.00 C ATOM 0 H LEU A 84 -1.445 7.661 0.582 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.084 6.143 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.403 4.780 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.169 5.046 1.423 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.409 4.158 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.421 2.069 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.179 3.502 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.008 2.539 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.034 2.121 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.451 2.591 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.936 3.590 3.134 1.00 0.00 H new ATOM 997 N PHE A 85 -0.067 7.126 4.059 1.00 0.00 N ATOM 998 CA PHE A 85 1.020 7.848 4.710 1.00 0.00 C ATOM 999 C PHE A 85 1.650 7.005 5.815 1.00 0.00 C ATOM 1000 O PHE A 85 0.950 6.335 6.574 1.00 0.00 O ATOM 1001 CB PHE A 85 0.509 9.173 5.292 1.00 0.00 C ATOM 1002 CG PHE A 85 1.539 9.930 6.075 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.856 9.994 5.647 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.188 10.579 7.250 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.803 10.690 6.374 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.131 11.276 7.981 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.440 11.332 7.542 1.00 0.00 C ATOM 0 H PHE A 85 -0.698 6.645 4.700 1.00 0.00 H new ATOM 0 HA PHE A 85 1.781 8.059 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.151 9.802 4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.346 8.970 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.145 9.494 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.166 10.539 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.826 10.732 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.845 11.776 8.894 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.178 11.877 8.111 1.00 0.00 H new ATOM 1017 N LEU A 86 2.976 7.049 5.901 1.00 0.00 N ATOM 1018 CA LEU A 86 3.702 6.293 6.915 1.00 0.00 C ATOM 1019 C LEU A 86 4.543 7.228 7.785 1.00 0.00 C ATOM 1020 O LEU A 86 5.378 7.974 7.275 1.00 0.00 O ATOM 1021 CB LEU A 86 4.601 5.246 6.254 1.00 0.00 C ATOM 1022 CG LEU A 86 3.951 3.875 6.046 1.00 0.00 C ATOM 1023 CD1 LEU A 86 4.245 3.348 4.650 1.00 0.00 C ATOM 1024 CD2 LEU A 86 4.433 2.891 7.101 1.00 0.00 C ATOM 0 H LEU A 86 3.569 7.600 5.281 1.00 0.00 H new ATOM 0 HA LEU A 86 2.975 5.787 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.927 5.628 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.495 5.119 6.864 1.00 0.00 H new ATOM 0 HG LEU A 86 2.872 3.988 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.774 2.373 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.849 4.042 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.323 3.251 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.961 1.922 6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.515 2.784 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.169 3.261 8.092 1.00 0.00 H new ATOM 1036 N PRO A 87 4.336 7.200 9.124 1.00 0.00 N ATOM 1037 CA PRO A 87 5.085 8.053 10.046 1.00 0.00 C ATOM 1038 C PRO A 87 6.592 7.931 9.857 1.00 0.00 C ATOM 1039 O PRO A 87 7.327 8.910 9.991 1.00 0.00 O ATOM 1040 CB PRO A 87 4.674 7.528 11.423 1.00 0.00 C ATOM 1041 CG PRO A 87 3.337 6.910 11.209 1.00 0.00 C ATOM 1042 CD PRO A 87 3.363 6.341 9.817 1.00 0.00 C ATOM 0 HA PRO A 87 4.866 9.110 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.392 6.799 11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.625 8.334 12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.145 6.130 11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.544 7.650 11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.674 5.296 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.381 6.383 9.346 1.00 0.00 H new ATOM 1050 N ALA A 88 7.049 6.722 9.546 1.00 0.00 N ATOM 1051 CA ALA A 88 8.470 6.473 9.348 1.00 0.00 C ATOM 1052 C ALA A 88 8.698 5.122 8.671 1.00 0.00 C ATOM 1053 O ALA A 88 8.518 4.073 9.290 1.00 0.00 O ATOM 1054 CB ALA A 88 9.215 6.541 10.672 1.00 0.00 C ATOM 0 H ALA A 88 6.456 5.901 9.426 1.00 0.00 H new ATOM 0 HA ALA A 88 8.862 7.251 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.275 6.352 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.088 7.531 11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.817 5.789 11.353 1.00 0.00 H new ATOM 1060 N VAL A 89 9.098 5.154 7.403 1.00 0.00 N ATOM 1061 CA VAL A 89 9.353 3.932 6.650 1.00 0.00 C ATOM 1062 C VAL A 89 10.760 3.411 6.928 1.00 0.00 C ATOM 1063 O VAL A 89 11.745 4.107 6.679 1.00 0.00 O ATOM 1064 CB VAL A 89 9.182 4.157 5.137 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.256 2.836 4.387 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.869 4.869 4.856 1.00 0.00 C ATOM 0 H VAL A 89 9.252 6.014 6.876 1.00 0.00 H new ATOM 0 HA VAL A 89 8.622 3.193 6.977 1.00 0.00 H new ATOM 0 HB VAL A 89 9.997 4.789 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.133 3.017 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.224 2.369 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.464 2.174 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.761 5.022 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.041 4.262 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.863 5.834 5.362 1.00 0.00 H new ATOM 1076 N GLY A 90 10.847 2.183 7.421 1.00 0.00 N ATOM 1077 CA GLY A 90 12.141 1.593 7.717 1.00 0.00 C ATOM 1078 C GLY A 90 12.402 0.330 6.928 1.00 0.00 C ATOM 1079 O GLY A 90 11.751 0.080 5.905 1.00 0.00 O ATOM 0 H GLY A 90 10.046 1.584 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.925 2.319 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.198 1.369 8.782 1.00 0.00 H new ATOM 1083 N ILE A 91 13.359 -0.470 7.381 1.00 0.00 N ATOM 1084 CA ILE A 91 13.710 -1.714 6.709 1.00 0.00 C ATOM 1085 C ILE A 91 12.549 -2.702 6.742 1.00 0.00 C ATOM 1086 O ILE A 91 12.348 -3.471 5.801 1.00 0.00 O ATOM 1087 CB ILE A 91 14.948 -2.371 7.350 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.721 -2.585 8.849 1.00 0.00 C ATOM 1089 CG2 ILE A 91 16.187 -1.518 7.110 1.00 0.00 C ATOM 1090 CD1 ILE A 91 14.426 -4.024 9.215 1.00 0.00 C ATOM 0 H ILE A 91 13.910 -0.277 8.218 1.00 0.00 H new ATOM 0 HA ILE A 91 13.939 -1.460 5.674 1.00 0.00 H new ATOM 0 HB ILE A 91 15.107 -3.344 6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.605 -2.254 9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.892 -1.958 9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.052 -1.996 7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.356 -1.415 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.041 -0.532 7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.276 -4.102 10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.525 -4.353 8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 91 15.265 -4.654 8.919 1.00 0.00 H new ATOM 1102 N GLN A 92 11.787 -2.676 7.830 1.00 0.00 N ATOM 1103 CA GLN A 92 10.645 -3.567 7.992 1.00 0.00 C ATOM 1104 C GLN A 92 9.555 -3.240 6.976 1.00 0.00 C ATOM 1105 O GLN A 92 8.736 -4.091 6.625 1.00 0.00 O ATOM 1106 CB GLN A 92 10.081 -3.467 9.402 1.00 0.00 C ATOM 1107 CG GLN A 92 11.118 -3.699 10.489 1.00 0.00 C ATOM 1108 CD GLN A 92 11.043 -2.665 11.604 1.00 0.00 C ATOM 1109 OE1 GLN A 92 10.859 -3.003 12.766 1.00 0.00 O ATOM 1110 NE2 GLN A 92 11.186 -1.397 11.231 1.00 0.00 N ATOM 0 H GLN A 92 11.941 -2.044 8.616 1.00 0.00 H new ATOM 0 HA GLN A 92 10.990 -4.587 7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.638 -2.480 9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.278 -4.195 9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.978 -4.694 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.114 -3.678 10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.337 -1.168 10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.144 -0.653 11.927 1.00 0.00 H new ATOM 1119 N ASP A 93 9.550 -1.998 6.489 1.00 0.00 N ATOM 1120 CA ASP A 93 8.559 -1.558 5.514 1.00 0.00 C ATOM 1121 C ASP A 93 9.008 -1.863 4.086 1.00 0.00 C ATOM 1122 O ASP A 93 8.210 -1.787 3.151 1.00 0.00 O ATOM 1123 CB ASP A 93 8.292 -0.061 5.667 1.00 0.00 C ATOM 1124 CG ASP A 93 7.355 0.246 6.821 1.00 0.00 C ATOM 1125 OD1 ASP A 93 6.681 -0.688 7.302 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.297 1.420 7.242 1.00 0.00 O ATOM 0 H ASP A 93 10.224 -1.280 6.756 1.00 0.00 H new ATOM 0 HA ASP A 93 7.638 -2.109 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.237 0.460 5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.863 0.325 4.742 1.00 0.00 H new ATOM 1131 N GLU A 94 10.285 -2.206 3.917 1.00 0.00 N ATOM 1132 CA GLU A 94 10.825 -2.517 2.595 1.00 0.00 C ATOM 1133 C GLU A 94 9.949 -3.534 1.865 1.00 0.00 C ATOM 1134 O GLU A 94 8.959 -4.022 2.410 1.00 0.00 O ATOM 1135 CB GLU A 94 12.252 -3.056 2.714 1.00 0.00 C ATOM 1136 CG GLU A 94 13.263 -2.011 3.164 1.00 0.00 C ATOM 1137 CD GLU A 94 14.592 -2.622 3.555 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.637 -3.319 4.591 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.586 -2.405 2.840 1.00 0.00 O ATOM 0 H GLU A 94 10.962 -2.275 4.677 1.00 0.00 H new ATOM 0 HA GLU A 94 10.837 -1.593 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.260 -3.885 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.562 -3.457 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.420 -1.292 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.857 -1.459 4.011 1.00 0.00 H new ATOM 1146 N GLY A 95 10.322 -3.847 0.629 1.00 0.00 N ATOM 1147 CA GLY A 95 9.562 -4.801 -0.142 1.00 0.00 C ATOM 1148 C GLY A 95 8.769 -4.136 -1.251 1.00 0.00 C ATOM 1149 O GLY A 95 8.913 -2.938 -1.493 1.00 0.00 O ATOM 0 H GLY A 95 11.135 -3.456 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.238 -5.539 -0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.881 -5.339 0.517 1.00 0.00 H new ATOM 1153 N ILE A 96 7.930 -4.916 -1.927 1.00 0.00 N ATOM 1154 CA ILE A 96 7.111 -4.395 -3.024 1.00 0.00 C ATOM 1155 C ILE A 96 5.655 -4.251 -2.596 1.00 0.00 C ATOM 1156 O ILE A 96 5.156 -5.039 -1.786 1.00 0.00 O ATOM 1157 CB ILE A 96 7.179 -5.303 -4.261 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.617 -5.764 -4.513 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.628 -4.574 -5.484 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.838 -7.234 -4.225 1.00 0.00 C ATOM 0 H ILE A 96 7.798 -5.909 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 96 7.515 -3.416 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 96 6.565 -6.185 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.878 -5.562 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.293 -5.175 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.682 -5.229 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.590 -4.295 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.218 -3.676 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.878 -7.492 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.608 -7.438 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.187 -7.832 -4.863 1.00 0.00 H new ATOM 1172 N PHE A 97 4.979 -3.241 -3.129 1.00 0.00 N ATOM 1173 CA PHE A 97 3.578 -2.996 -2.799 1.00 0.00 C ATOM 1174 C PHE A 97 2.698 -3.083 -4.042 1.00 0.00 C ATOM 1175 O PHE A 97 3.162 -2.857 -5.168 1.00 0.00 O ATOM 1176 CB PHE A 97 3.420 -1.622 -2.145 1.00 0.00 C ATOM 1177 CG PHE A 97 4.114 -1.505 -0.818 1.00 0.00 C ATOM 1178 CD1 PHE A 97 5.495 -1.403 -0.750 1.00 0.00 C ATOM 1179 CD2 PHE A 97 3.386 -1.496 0.345 1.00 0.00 C ATOM 1180 CE1 PHE A 97 6.136 -1.295 0.453 1.00 0.00 C ATOM 1181 CE2 PHE A 97 4.021 -1.388 1.567 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.398 -1.287 1.622 1.00 0.00 C ATOM 0 H PHE A 97 5.378 -2.577 -3.793 1.00 0.00 H new ATOM 0 HA PHE A 97 3.258 -3.766 -2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.812 -0.861 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.359 -1.413 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.074 -1.409 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.310 -1.574 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.213 -1.216 0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.442 -1.383 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.897 -1.202 2.576 1.00 0.00 H new ATOM 1192 N ARG A 98 1.425 -3.411 -3.848 1.00 0.00 N ATOM 1193 CA ARG A 98 0.479 -3.526 -4.952 1.00 0.00 C ATOM 1194 C ARG A 98 -0.917 -3.082 -4.524 1.00 0.00 C ATOM 1195 O ARG A 98 -1.341 -3.329 -3.386 1.00 0.00 O ATOM 1196 CB ARG A 98 0.435 -4.966 -5.468 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.452 -5.151 -6.681 1.00 0.00 C ATOM 1198 CD ARG A 98 0.336 -5.007 -7.973 1.00 0.00 C ATOM 1199 NE ARG A 98 0.507 -6.288 -8.664 1.00 0.00 N ATOM 1200 CZ ARG A 98 -0.461 -6.900 -9.333 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -1.667 -6.354 -9.432 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -0.222 -8.064 -9.932 1.00 0.00 N ATOM 0 H ARG A 98 1.023 -3.603 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 98 0.817 -2.871 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.447 -5.284 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.083 -5.618 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.918 -6.136 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.257 -4.416 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.176 -4.306 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.315 -4.581 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 98 1.423 -6.735 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.857 -5.454 -8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.403 -6.834 -9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.705 -8.485 -9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.966 -8.535 -10.447 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.627 -2.426 -5.430 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.976 -1.943 -5.154 1.00 0.00 C ATOM 1218 C CYS A 99 -4.021 -2.846 -5.805 1.00 0.00 C ATOM 1219 O CYS A 99 -3.745 -3.509 -6.806 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.138 -0.506 -5.659 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.180 0.751 -4.338 1.00 0.00 S ATOM 0 H CYS A 99 -1.290 -2.214 -6.369 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.129 -1.961 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.316 -0.276 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.058 -0.438 -6.239 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.219 -2.866 -5.231 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.305 -3.686 -5.753 1.00 0.00 C ATOM 1228 C GLN A 100 -7.655 -3.168 -5.276 1.00 0.00 C ATOM 1229 O GLN A 100 -7.835 -2.891 -4.081 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.122 -5.144 -5.326 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.968 -6.123 -6.132 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.484 -7.553 -5.993 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -5.472 -7.821 -5.352 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -7.205 -8.482 -6.620 1.00 0.00 N ATOM 0 H GLN A 100 -5.462 -2.323 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.280 -3.629 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.071 -5.415 -5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.376 -5.240 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.005 -6.059 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.949 -5.836 -7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.040 -8.214 -7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.922 -9.461 -6.578 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.602 -3.036 -6.200 1.00 0.00 N ATOM 1244 CA ALA A 101 -9.935 -2.550 -5.864 1.00 0.00 C ATOM 1245 C ALA A 101 -11.015 -3.393 -6.525 1.00 0.00 C ATOM 1246 O ALA A 101 -10.753 -4.093 -7.503 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.079 -1.090 -6.258 1.00 0.00 C ATOM 0 H ALA A 101 -8.471 -3.259 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.063 -2.636 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.079 -0.741 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.338 -0.494 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.923 -0.986 -7.332 1.00 0.00 H new ATOM 1253 N MET A 102 -12.229 -3.324 -5.989 1.00 0.00 N ATOM 1254 CA MET A 102 -13.350 -4.082 -6.544 1.00 0.00 C ATOM 1255 C MET A 102 -14.552 -3.176 -6.782 1.00 0.00 C ATOM 1256 O MET A 102 -15.152 -2.655 -5.842 1.00 0.00 O ATOM 1257 CB MET A 102 -13.737 -5.215 -5.583 1.00 0.00 C ATOM 1258 CG MET A 102 -14.858 -6.097 -6.109 1.00 0.00 C ATOM 1259 SD MET A 102 -14.254 -7.644 -6.814 1.00 0.00 S ATOM 1260 CE MET A 102 -15.632 -8.735 -6.467 1.00 0.00 C ATOM 0 H MET A 102 -12.463 -2.755 -5.176 1.00 0.00 H new ATOM 0 HA MET A 102 -13.041 -4.504 -7.500 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.860 -5.832 -5.389 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.041 -4.784 -4.629 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.552 -6.318 -5.298 1.00 0.00 H new ATOM 0 HG3 MET A 102 -15.419 -5.551 -6.868 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.409 -9.733 -6.844 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.797 -8.782 -5.391 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.529 -8.355 -6.955 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.898 -2.992 -8.053 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.028 -2.149 -8.432 1.00 0.00 C ATOM 1272 C ASN A 103 -17.259 -2.996 -8.737 1.00 0.00 C ATOM 1273 O ASN A 103 -17.220 -4.222 -8.646 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.667 -1.283 -9.631 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.349 0.071 -9.597 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -16.202 0.828 -8.637 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -17.102 0.381 -10.645 1.00 0.00 N ATOM 0 H ASN A 103 -14.410 -3.417 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.264 -1.497 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.587 -1.141 -9.660 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -15.945 -1.803 -10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.587 1.278 -10.677 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.195 -0.277 -11.419 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.349 -2.331 -9.116 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.592 -3.021 -9.435 1.00 0.00 C ATOM 1286 C ARG A 104 -19.384 -4.008 -10.579 1.00 0.00 C ATOM 1287 O ARG A 104 -20.046 -5.045 -10.652 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.675 -2.008 -9.820 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.482 -1.507 -8.625 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.586 -0.559 -9.065 1.00 0.00 C ATOM 1291 NE ARG A 104 -22.760 0.550 -8.130 1.00 0.00 N ATOM 1292 CZ ARG A 104 -23.435 0.459 -6.987 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -23.998 -0.689 -6.630 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -23.549 1.518 -6.197 1.00 0.00 N ATOM 0 H ARG A 104 -18.394 -1.316 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.911 -3.572 -8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.208 -1.158 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.352 -2.466 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.917 -2.355 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.820 -0.998 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.353 -0.166 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.523 -1.109 -9.153 1.00 0.00 H new ATOM 0 HE ARG A 104 -22.339 1.448 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.914 -1.507 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -24.514 -0.753 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -23.119 2.403 -6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -24.067 1.447 -5.321 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.464 -3.680 -11.488 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.173 -4.540 -12.622 1.00 0.00 C ATOM 1310 C ASN A 105 -16.884 -5.328 -12.416 1.00 0.00 C ATOM 1311 O ASN A 105 -16.272 -5.800 -13.366 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.064 -3.710 -13.902 1.00 0.00 C ATOM 1313 CG ASN A 105 -17.223 -2.462 -13.715 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -17.519 -1.621 -12.866 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -16.167 -2.335 -14.511 1.00 0.00 N ATOM 0 H ASN A 105 -17.911 -2.824 -11.455 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.996 -5.249 -12.713 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.629 -4.322 -14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.063 -3.425 -14.233 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.564 -1.516 -14.432 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.959 -3.057 -15.201 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.479 -5.473 -11.151 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.267 -6.210 -10.856 1.00 0.00 C ATOM 1324 C GLY A 106 -14.028 -5.563 -11.437 1.00 0.00 C ATOM 1325 O GLY A 106 -13.214 -6.233 -12.071 1.00 0.00 O ATOM 0 H GLY A 106 -16.966 -5.096 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.153 -6.295 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.359 -7.223 -11.248 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.886 -4.258 -11.236 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.736 -3.524 -11.752 1.00 0.00 C ATOM 1331 C LYS A 107 -11.602 -3.505 -10.732 1.00 0.00 C ATOM 1332 O LYS A 107 -11.802 -3.135 -9.567 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.137 -2.094 -12.107 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.994 -1.267 -12.684 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.510 -0.070 -13.459 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.407 0.945 -13.715 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.941 2.211 -14.290 1.00 0.00 N ATOM 0 H LYS A 107 -14.553 -3.686 -10.719 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.386 -4.031 -12.651 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.954 -2.123 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.518 -1.599 -11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.346 -0.927 -11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.386 -1.891 -13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.927 -0.403 -14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.320 0.403 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.888 1.161 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.672 0.518 -14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.158 2.877 -14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.414 2.009 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.624 2.632 -13.628 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.412 -3.905 -11.161 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.246 -3.933 -10.285 1.00 0.00 C ATOM 1353 C GLU A 108 -8.148 -3.015 -10.810 1.00 0.00 C ATOM 1354 O GLU A 108 -8.011 -2.823 -12.018 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.714 -5.362 -10.155 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.433 -6.029 -11.491 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.890 -7.437 -11.338 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -8.530 -8.245 -10.631 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -6.826 -7.731 -11.921 1.00 0.00 O ATOM 0 H GLU A 108 -10.228 -4.216 -12.115 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.553 -3.576 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.797 -5.348 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.438 -5.962 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.351 -6.060 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.717 -5.426 -12.050 1.00 0.00 H new ATOM 1366 N THR A 109 -7.367 -2.452 -9.895 1.00 0.00 N ATOM 1367 CA THR A 109 -6.279 -1.555 -10.266 1.00 0.00 C ATOM 1368 C THR A 109 -4.940 -2.283 -10.230 1.00 0.00 C ATOM 1369 O THR A 109 -4.523 -2.786 -9.196 1.00 0.00 O ATOM 1370 CB THR A 109 -6.244 -0.347 -9.329 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.103 0.454 -9.586 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.218 -0.724 -7.872 1.00 0.00 C ATOM 0 H THR A 109 -7.467 -2.601 -8.891 1.00 0.00 H new ATOM 0 HA THR A 109 -6.456 -1.209 -11.284 1.00 0.00 H new ATOM 0 HB THR A 109 -7.165 0.201 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.099 1.222 -8.978 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.194 0.180 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.110 -1.301 -7.630 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.331 -1.324 -7.667 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.270 -2.337 -11.377 1.00 0.00 N ATOM 1381 CA LYS A 110 -2.980 -3.005 -11.477 1.00 0.00 C ATOM 1382 C LYS A 110 -1.835 -2.008 -11.325 1.00 0.00 C ATOM 1383 O LYS A 110 -1.618 -1.160 -12.191 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.865 -3.736 -12.818 1.00 0.00 C ATOM 1385 CG LYS A 110 -3.116 -5.233 -12.724 1.00 0.00 C ATOM 1386 CD LYS A 110 -1.906 -6.035 -13.165 1.00 0.00 C ATOM 1387 CE LYS A 110 -2.269 -7.486 -13.438 1.00 0.00 C ATOM 1388 NZ LYS A 110 -1.101 -8.269 -13.927 1.00 0.00 N ATOM 0 H LYS A 110 -4.601 -1.925 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.911 -3.732 -10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.576 -3.301 -13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.869 -3.569 -13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.371 -5.495 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.973 -5.498 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.481 -5.590 -14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.137 -5.990 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.655 -7.941 -12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.069 -7.527 -14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.391 -9.253 -14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.748 -7.850 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.347 -8.252 -13.211 1.00 0.00 H new ATOM 1402 N SER A 111 -1.108 -2.116 -10.219 1.00 0.00 N ATOM 1403 CA SER A 111 0.016 -1.226 -9.950 1.00 0.00 C ATOM 1404 C SER A 111 0.983 -1.859 -8.954 1.00 0.00 C ATOM 1405 O SER A 111 0.591 -2.248 -7.855 1.00 0.00 O ATOM 1406 CB SER A 111 -0.488 0.115 -9.413 1.00 0.00 C ATOM 1407 OG SER A 111 -0.289 1.152 -10.359 1.00 0.00 O ATOM 0 H SER A 111 -1.277 -2.812 -9.493 1.00 0.00 H new ATOM 0 HA SER A 111 0.548 -1.056 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.548 0.038 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.033 0.358 -8.487 1.00 0.00 H new ATOM 0 HG SER A 111 -0.055 1.981 -9.891 1.00 0.00 H new ATOM 1413 N ASN A 112 2.249 -1.962 -9.356 1.00 0.00 N ATOM 1414 CA ASN A 112 3.271 -2.550 -8.489 1.00 0.00 C ATOM 1415 C ASN A 112 4.432 -1.582 -8.282 1.00 0.00 C ATOM 1416 O ASN A 112 5.059 -1.133 -9.241 1.00 0.00 O ATOM 1417 CB ASN A 112 3.784 -3.857 -9.097 1.00 0.00 C ATOM 1418 CG ASN A 112 4.569 -4.689 -8.103 1.00 0.00 C ATOM 1419 OD1 ASN A 112 5.703 -5.089 -8.369 1.00 0.00 O ATOM 1420 ND2 ASN A 112 3.969 -4.955 -6.956 1.00 0.00 N ATOM 0 H ASN A 112 2.590 -1.650 -10.265 1.00 0.00 H new ATOM 0 HA ASN A 112 2.819 -2.757 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.939 -4.439 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.416 -3.631 -9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.447 -5.513 -6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 112 3.028 -4.603 -6.779 1.00 0.00 H new ATOM 1427 N TYR A 113 4.710 -1.260 -7.021 1.00 0.00 N ATOM 1428 CA TYR A 113 5.795 -0.343 -6.687 1.00 0.00 C ATOM 1429 C TYR A 113 6.806 -1.006 -5.758 1.00 0.00 C ATOM 1430 O TYR A 113 6.433 -1.705 -4.824 1.00 0.00 O ATOM 1431 CB TYR A 113 5.242 0.925 -6.029 1.00 0.00 C ATOM 1432 CG TYR A 113 3.915 1.380 -6.595 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.656 1.308 -7.958 1.00 0.00 C ATOM 1434 CD2 TYR A 113 2.920 1.882 -5.765 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.444 1.723 -8.477 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.705 2.297 -6.277 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.473 2.216 -7.640 1.00 0.00 C ATOM 1438 OH TYR A 113 0.265 2.629 -8.146 1.00 0.00 O ATOM 0 H TYR A 113 4.199 -1.620 -6.215 1.00 0.00 H new ATOM 0 HA TYR A 113 6.300 -0.073 -7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.128 0.748 -4.960 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.969 1.729 -6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.414 0.921 -8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.099 1.949 -4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 113 2.261 1.660 -9.539 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.941 2.682 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.304 2.948 -7.415 1.00 0.00 H new ATOM 1448 N ARG A 114 8.089 -0.777 -6.025 1.00 0.00 N ATOM 1449 CA ARG A 114 9.156 -1.346 -5.210 1.00 0.00 C ATOM 1450 C ARG A 114 9.729 -0.294 -4.272 1.00 0.00 C ATOM 1451 O ARG A 114 10.215 0.748 -4.702 1.00 0.00 O ATOM 1452 CB ARG A 114 10.263 -1.910 -6.103 1.00 0.00 C ATOM 1453 CG ARG A 114 10.770 -3.272 -5.664 1.00 0.00 C ATOM 1454 CD ARG A 114 12.059 -3.152 -4.859 1.00 0.00 C ATOM 1455 NE ARG A 114 12.426 -4.414 -4.228 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.652 -4.694 -3.782 1.00 0.00 C ATOM 1457 NH1 ARG A 114 14.629 -3.804 -3.916 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.901 -5.866 -3.215 1.00 0.00 N ATOM 0 H ARG A 114 8.414 -0.200 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 114 8.738 -2.156 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.891 -1.983 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.098 -1.209 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.009 -3.769 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 114 10.943 -3.897 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.867 -2.825 -5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.939 -2.385 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 114 11.703 -5.125 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 114 14.443 -2.905 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 114 15.566 -4.020 -3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.155 -6.555 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.839 -6.079 -2.874 1.00 0.00 H new ATOM 1472 N VAL A 115 9.664 -0.572 -2.966 1.00 0.00 N ATOM 1473 CA VAL A 115 10.172 0.355 -1.968 1.00 0.00 C ATOM 1474 C VAL A 115 11.408 -0.203 -1.263 1.00 0.00 C ATOM 1475 O VAL A 115 11.378 -1.303 -0.709 1.00 0.00 O ATOM 1476 CB VAL A 115 9.101 0.675 -0.898 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.544 1.840 -0.026 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.765 0.976 -1.559 1.00 0.00 C ATOM 0 H VAL A 115 9.265 -1.429 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 115 10.439 1.267 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 115 8.980 -0.200 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.777 2.049 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.478 1.585 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.696 2.723 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.022 1.199 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.872 1.835 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.442 0.110 -2.137 1.00 0.00 H new ATOM 1488 N ARG A 116 12.494 0.564 -1.290 1.00 0.00 N ATOM 1489 CA ARG A 116 13.741 0.150 -0.657 1.00 0.00 C ATOM 1490 C ARG A 116 14.299 1.269 0.203 1.00 0.00 C ATOM 1491 O ARG A 116 14.201 2.445 -0.136 1.00 0.00 O ATOM 1492 CB ARG A 116 14.769 -0.245 -1.728 1.00 0.00 C ATOM 1493 CG ARG A 116 16.108 -0.677 -1.142 1.00 0.00 C ATOM 1494 CD ARG A 116 16.031 -2.068 -0.535 1.00 0.00 C ATOM 1495 NE ARG A 116 16.594 -3.084 -1.428 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.981 -4.291 -1.020 1.00 0.00 C ATOM 1497 NH1 ARG A 116 16.867 -4.635 0.249 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.485 -5.155 -1.883 1.00 0.00 N ATOM 0 H ARG A 116 12.535 1.476 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 116 13.536 -0.711 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.363 -1.058 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.928 0.599 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.869 -0.662 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.419 0.037 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.568 -2.081 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.991 -2.312 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 116 16.695 -2.854 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 116 16.481 -3.975 0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.165 -5.561 0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.579 -4.898 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.780 -6.079 -1.567 1.00 0.00 H new ATOM 1512 N VAL A 117 14.881 0.896 1.339 1.00 0.00 N ATOM 1513 CA VAL A 117 15.448 1.877 2.258 1.00 0.00 C ATOM 1514 C VAL A 117 16.944 2.061 2.028 1.00 0.00 C ATOM 1515 O VAL A 117 17.600 1.205 1.426 1.00 0.00 O ATOM 1516 CB VAL A 117 15.211 1.477 3.736 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.728 1.258 3.996 1.00 0.00 C ATOM 1518 CG2 VAL A 117 16.012 0.233 4.091 1.00 0.00 C ATOM 0 H VAL A 117 14.972 -0.073 1.644 1.00 0.00 H new ATOM 0 HA VAL A 117 14.937 2.819 2.057 1.00 0.00 H new ATOM 0 HB VAL A 117 15.553 2.292 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.579 0.978 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.182 2.178 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.359 0.461 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.831 -0.031 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.705 -0.593 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 117 17.074 0.430 3.946 1.00 0.00 H new ATOM 1528 N TYR A 118 17.476 3.188 2.487 1.00 0.00 N ATOM 1529 CA TYR A 118 18.896 3.496 2.336 1.00 0.00 C ATOM 1530 C TYR A 118 19.771 2.342 2.811 1.00 0.00 C ATOM 1531 O TYR A 118 20.442 1.683 2.017 1.00 0.00 O ATOM 1532 CB TYR A 118 19.247 4.773 3.095 1.00 0.00 C ATOM 1533 CG TYR A 118 19.258 6.018 2.244 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.296 6.216 1.253 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.229 6.996 2.409 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.303 7.352 0.467 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.243 8.135 1.636 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.277 8.309 0.658 1.00 0.00 C ATOM 1539 OH TYR A 118 19.287 9.443 -0.106 1.00 0.00 O ATOM 0 H TYR A 118 16.942 3.910 2.971 1.00 0.00 H new ATOM 0 HA TYR A 118 19.091 3.649 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.531 4.908 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.229 4.651 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.533 5.468 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 118 20.992 6.860 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.549 7.490 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.002 8.888 1.791 1.00 0.00 H new ATOM 0 HH TYR A 118 20.040 10.011 0.161 1.00 0.00 H new ATOM 1549 N GLN A 119 19.761 2.105 4.128 1.00 0.00 N ATOM 1550 CA GLN A 119 20.556 1.034 4.709 1.00 0.00 C ATOM 1551 C GLN A 119 19.956 -0.330 4.387 1.00 0.00 C ATOM 1552 O GLN A 119 18.737 -0.477 4.295 1.00 0.00 O ATOM 1553 CB GLN A 119 20.656 1.220 6.226 1.00 0.00 C ATOM 1554 CG GLN A 119 21.957 1.865 6.674 1.00 0.00 C ATOM 1555 CD GLN A 119 21.746 2.933 7.729 1.00 0.00 C ATOM 1556 OE1 GLN A 119 20.679 3.020 8.337 1.00 0.00 O ATOM 1557 NE2 GLN A 119 22.765 3.756 7.950 1.00 0.00 N ATOM 0 H GLN A 119 19.213 2.640 4.802 1.00 0.00 H new ATOM 0 HA GLN A 119 21.555 1.076 4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.821 1.833 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 119 20.556 0.249 6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.622 1.097 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.456 2.306 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 119 23.632 3.648 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 119 22.681 4.496 8.647 1.00 0.00 H new ATOM 1566 N ILE A 120 20.818 -1.326 4.224 1.00 0.00 N ATOM 1567 CA ILE A 120 20.370 -2.680 3.903 1.00 0.00 C ATOM 1568 C ILE A 120 20.548 -3.610 5.102 1.00 0.00 C ATOM 1569 O ILE A 120 21.494 -3.466 5.874 1.00 0.00 O ATOM 1570 CB ILE A 120 21.119 -3.276 2.696 1.00 0.00 C ATOM 1571 CG1 ILE A 120 22.491 -2.620 2.527 1.00 0.00 C ATOM 1572 CG2 ILE A 120 20.289 -3.105 1.422 1.00 0.00 C ATOM 1573 CD1 ILE A 120 23.272 -3.125 1.331 1.00 0.00 C ATOM 0 H ILE A 120 21.829 -1.225 4.308 1.00 0.00 H new ATOM 0 HA ILE A 120 19.314 -2.599 3.646 1.00 0.00 H new ATOM 0 HB ILE A 120 21.270 -4.340 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 120 22.358 -1.542 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 120 23.078 -2.791 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 120 20.829 -3.530 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 120 19.334 -3.618 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 120 20.111 -2.045 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 120 24.232 -2.612 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 120 23.439 -4.197 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 120 22.708 -2.930 0.419 1.00 0.00 H new ATOM 1585 N PRO A 121 19.634 -4.582 5.280 1.00 0.00 N ATOM 1586 CA PRO A 121 19.695 -5.537 6.383 1.00 0.00 C ATOM 1587 C PRO A 121 20.835 -6.537 6.223 1.00 0.00 C ATOM 1588 O PRO A 121 21.089 -6.968 5.088 1.00 0.00 O ATOM 1589 CB PRO A 121 18.345 -6.252 6.311 1.00 0.00 C ATOM 1590 CG PRO A 121 17.937 -6.145 4.882 1.00 0.00 C ATOM 1591 CD PRO A 121 18.472 -4.827 4.404 1.00 0.00 C ATOM 1592 OXT PRO A 121 21.466 -6.881 7.246 1.00 0.00 O ATOM 0 HA PRO A 121 19.881 -5.044 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 121 18.431 -7.293 6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 121 17.613 -5.783 6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.345 -6.969 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 121 16.853 -6.187 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.764 -4.870 3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.728 -4.036 4.496 1.00 0.00 H new TER 1600 PRO A 121