USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 777 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 21 THR OG1 : rot 137:sc= 0.711 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.0623 USER MOD Single : A 5 SER OG : rot -51:sc= 0.407 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -27:sc= 0.176 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.34) USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.354 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00603 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 12:sc= -0.783 USER MOD Single : A 38 ASN : amide:sc= -0.116 X(o=-0.12,f=0.017) USER MOD Single : A 43 SER OG : rot -3:sc= 0.711 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.468 USER MOD Single : A 45 THR OG1 : rot 150:sc= 0.427 USER MOD Single : A 52 ASN : amide:sc= -1.48! X(o=-1.5!,f=-1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.5!) USER MOD Single : A 55 GLN :FLIP amide:sc= -6.85 F(o=-13!,f=-6.9) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 59 ASN : amide:sc= -1.95! C(o=-2!,f=-2.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.004 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 67 THR OG1 : rot -176:sc= -0.64 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -106:sc= -0.953 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.945 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 141:sc= -1.53 USER MOD Single : A 86 SER OG : rot 180:sc= -0.152 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -130:sc= -0.393 USER MOD Single : A 93 SER OG : rot 73:sc= -1.9! USER MOD Single : A 95 SER OG : rot 175:sc= 1.2 USER MOD Single : A 97 GLN : amide:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 98 SER OG : rot -140:sc= -0.191 USER MOD Single : A 100 THR OG1 : rot -140:sc= -0.248 USER MOD Single : A 101 MET CE :methyl -109:sc= -1.64 (180deg=-5.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.364 -12.405 -9.388 1.00 0.00 N ATOM 2 CA GLY A 1 2.640 -13.802 -9.666 1.00 0.00 C ATOM 3 C GLY A 1 3.299 -14.006 -11.016 1.00 0.00 C ATOM 4 O GLY A 1 2.618 -14.167 -12.028 1.00 0.00 O ATOM 0 H1 GLY A 1 1.914 -12.319 -8.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.254 -11.867 -9.394 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.726 -12.026 -10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.286 -14.204 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.709 -14.367 -9.631 1.00 0.00 H new ATOM 8 N SER A 2 4.628 -13.997 -11.031 1.00 0.00 N ATOM 9 CA SER A 2 5.380 -14.177 -12.267 1.00 0.00 C ATOM 10 C SER A 2 5.707 -15.649 -12.495 1.00 0.00 C ATOM 11 O SER A 2 6.467 -16.252 -11.737 1.00 0.00 O ATOM 12 CB SER A 2 6.670 -13.356 -12.228 1.00 0.00 C ATOM 13 OG SER A 2 7.344 -13.407 -13.474 1.00 0.00 O ATOM 0 H SER A 2 5.206 -13.867 -10.201 1.00 0.00 H new ATOM 0 HA SER A 2 4.761 -13.829 -13.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.439 -12.321 -11.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.323 -13.735 -11.442 1.00 0.00 H new ATOM 0 HG SER A 2 8.164 -12.873 -13.424 1.00 0.00 H new ATOM 19 N SER A 3 5.127 -16.223 -13.544 1.00 0.00 N ATOM 20 CA SER A 3 5.353 -17.626 -13.871 1.00 0.00 C ATOM 21 C SER A 3 4.873 -18.531 -12.740 1.00 0.00 C ATOM 22 O SER A 3 5.553 -19.483 -12.361 1.00 0.00 O ATOM 23 CB SER A 3 6.838 -17.875 -14.143 1.00 0.00 C ATOM 24 OG SER A 3 7.031 -19.096 -14.835 1.00 0.00 O ATOM 0 H SER A 3 4.497 -15.738 -14.182 1.00 0.00 H new ATOM 0 HA SER A 3 4.782 -17.861 -14.769 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.247 -17.052 -14.730 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.385 -17.897 -13.200 1.00 0.00 H new ATOM 0 HG SER A 3 6.608 -19.825 -14.336 1.00 0.00 H new ATOM 30 N GLY A 4 3.695 -18.225 -12.206 1.00 0.00 N ATOM 31 CA GLY A 4 3.142 -19.019 -11.124 1.00 0.00 C ATOM 32 C GLY A 4 1.659 -18.778 -10.927 1.00 0.00 C ATOM 33 O GLY A 4 1.166 -17.675 -11.158 1.00 0.00 O ATOM 0 H GLY A 4 3.113 -17.441 -12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.311 -20.076 -11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.671 -18.786 -10.200 1.00 0.00 H new ATOM 37 N SER A 5 0.944 -19.815 -10.499 1.00 0.00 N ATOM 38 CA SER A 5 -0.493 -19.712 -10.276 1.00 0.00 C ATOM 39 C SER A 5 -0.813 -19.718 -8.784 1.00 0.00 C ATOM 40 O SER A 5 -1.764 -20.364 -8.345 1.00 0.00 O ATOM 41 CB SER A 5 -1.221 -20.865 -10.970 1.00 0.00 C ATOM 42 OG SER A 5 -2.625 -20.669 -10.947 1.00 0.00 O ATOM 0 H SER A 5 1.337 -20.735 -10.300 1.00 0.00 H new ATOM 0 HA SER A 5 -0.835 -18.768 -10.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.879 -20.947 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.974 -21.805 -10.477 1.00 0.00 H new ATOM 0 HG SER A 5 -2.914 -20.482 -10.030 1.00 0.00 H new ATOM 48 N SER A 6 -0.011 -18.992 -8.011 1.00 0.00 N ATOM 49 CA SER A 6 -0.206 -18.916 -6.568 1.00 0.00 C ATOM 50 C SER A 6 -0.384 -17.468 -6.120 1.00 0.00 C ATOM 51 O SER A 6 0.216 -16.554 -6.684 1.00 0.00 O ATOM 52 CB SER A 6 0.982 -19.545 -5.838 1.00 0.00 C ATOM 53 OG SER A 6 2.049 -18.621 -5.708 1.00 0.00 O ATOM 0 H SER A 6 0.779 -18.449 -8.360 1.00 0.00 H new ATOM 0 HA SER A 6 -1.111 -19.470 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.668 -19.884 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.323 -20.425 -6.383 1.00 0.00 H new ATOM 0 HG SER A 6 2.795 -19.047 -5.237 1.00 0.00 H new ATOM 59 N GLY A 7 -1.213 -17.268 -5.100 1.00 0.00 N ATOM 60 CA GLY A 7 -1.457 -15.931 -4.593 1.00 0.00 C ATOM 61 C GLY A 7 -2.851 -15.433 -4.915 1.00 0.00 C ATOM 62 O GLY A 7 -3.569 -16.016 -5.728 1.00 0.00 O ATOM 0 H GLY A 7 -1.720 -18.009 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.313 -15.924 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.723 -15.246 -5.017 1.00 0.00 H new ATOM 66 N PRO A 8 -3.255 -14.330 -4.268 1.00 0.00 N ATOM 67 CA PRO A 8 -4.577 -13.730 -4.473 1.00 0.00 C ATOM 68 C PRO A 8 -4.716 -13.091 -5.850 1.00 0.00 C ATOM 69 O PRO A 8 -3.770 -12.498 -6.368 1.00 0.00 O ATOM 70 CB PRO A 8 -4.656 -12.663 -3.378 1.00 0.00 C ATOM 71 CG PRO A 8 -3.238 -12.317 -3.083 1.00 0.00 C ATOM 72 CD PRO A 8 -2.451 -13.583 -3.285 1.00 0.00 C ATOM 0 HA PRO A 8 -5.374 -14.472 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.214 -11.790 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.164 -13.043 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.883 -11.527 -3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.130 -11.949 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.448 -13.378 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.337 -14.138 -2.354 1.00 0.00 H new ATOM 80 N SER A 9 -5.901 -13.216 -6.439 1.00 0.00 N ATOM 81 CA SER A 9 -6.163 -12.653 -7.758 1.00 0.00 C ATOM 82 C SER A 9 -6.883 -11.313 -7.644 1.00 0.00 C ATOM 83 O SER A 9 -7.028 -10.587 -8.627 1.00 0.00 O ATOM 84 CB SER A 9 -6.998 -13.624 -8.594 1.00 0.00 C ATOM 85 OG SER A 9 -7.124 -13.170 -9.930 1.00 0.00 O ATOM 0 H SER A 9 -6.695 -13.703 -6.023 1.00 0.00 H new ATOM 0 HA SER A 9 -5.205 -12.490 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.533 -14.610 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.987 -13.734 -8.149 1.00 0.00 H new ATOM 0 HG SER A 9 -7.055 -12.193 -9.951 1.00 0.00 H new ATOM 91 N GLY A 10 -7.333 -10.991 -6.435 1.00 0.00 N ATOM 92 CA GLY A 10 -8.033 -9.739 -6.213 1.00 0.00 C ATOM 93 C GLY A 10 -7.280 -8.811 -5.281 1.00 0.00 C ATOM 94 O GLY A 10 -6.468 -9.258 -4.471 1.00 0.00 O ATOM 0 H GLY A 10 -7.225 -11.575 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.190 -9.240 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.019 -9.946 -5.796 1.00 0.00 H new ATOM 98 N PHE A 11 -7.547 -7.514 -5.397 1.00 0.00 N ATOM 99 CA PHE A 11 -6.886 -6.520 -4.560 1.00 0.00 C ATOM 100 C PHE A 11 -7.882 -5.860 -3.611 1.00 0.00 C ATOM 101 O PHE A 11 -9.088 -5.834 -3.855 1.00 0.00 O ATOM 102 CB PHE A 11 -6.212 -5.457 -5.430 1.00 0.00 C ATOM 103 CG PHE A 11 -7.047 -5.022 -6.600 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.149 -5.817 -7.730 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.732 -3.817 -6.569 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.916 -5.419 -8.808 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.501 -3.414 -7.644 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.594 -4.216 -8.765 1.00 0.00 C ATOM 0 H PHE A 11 -8.216 -7.127 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.127 -7.028 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.982 -4.587 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.263 -5.848 -5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.623 -6.759 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.664 -3.186 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.985 -6.048 -9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.029 -2.473 -7.608 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.195 -3.903 -9.606 1.00 0.00 H new ATOM 118 N PRO A 12 -7.366 -5.313 -2.500 1.00 0.00 N ATOM 119 CA PRO A 12 -8.191 -4.642 -1.491 1.00 0.00 C ATOM 120 C PRO A 12 -8.763 -3.321 -1.994 1.00 0.00 C ATOM 121 O PRO A 12 -8.416 -2.859 -3.081 1.00 0.00 O ATOM 122 CB PRO A 12 -7.214 -4.398 -0.338 1.00 0.00 C ATOM 123 CG PRO A 12 -5.872 -4.353 -0.983 1.00 0.00 C ATOM 124 CD PRO A 12 -5.937 -5.307 -2.143 1.00 0.00 C ATOM 0 HA PRO A 12 -9.059 -5.239 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.437 -3.464 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.270 -5.194 0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.635 -3.344 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.092 -4.646 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.317 -4.972 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.588 -6.302 -1.865 1.00 0.00 H new ATOM 132 N GLN A 13 -9.638 -2.718 -1.196 1.00 0.00 N ATOM 133 CA GLN A 13 -10.257 -1.450 -1.562 1.00 0.00 C ATOM 134 C GLN A 13 -10.201 -0.462 -0.401 1.00 0.00 C ATOM 135 O GLN A 13 -9.631 -0.755 0.649 1.00 0.00 O ATOM 136 CB GLN A 13 -11.709 -1.671 -1.989 1.00 0.00 C ATOM 137 CG GLN A 13 -11.928 -2.969 -2.749 1.00 0.00 C ATOM 138 CD GLN A 13 -11.403 -2.909 -4.170 1.00 0.00 C ATOM 139 OE1 GLN A 13 -10.887 -1.881 -4.611 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.533 -4.013 -4.897 1.00 0.00 N ATOM 0 H GLN A 13 -9.934 -3.087 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.699 -1.031 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.344 -1.667 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.027 -0.836 -2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.436 -3.784 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.993 -3.199 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.967 -4.842 -4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.199 -4.031 -5.861 1.00 0.00 H new ATOM 149 N ASN A 14 -10.796 0.710 -0.598 1.00 0.00 N ATOM 150 CA ASN A 14 -10.813 1.742 0.432 1.00 0.00 C ATOM 151 C ASN A 14 -9.395 2.180 0.787 1.00 0.00 C ATOM 152 O ASN A 14 -9.132 2.621 1.906 1.00 0.00 O ATOM 153 CB ASN A 14 -11.529 1.230 1.684 1.00 0.00 C ATOM 154 CG ASN A 14 -13.016 1.526 1.660 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.581 2.006 2.644 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.659 1.240 0.534 1.00 0.00 N ATOM 0 H ASN A 14 -11.273 0.969 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.353 2.604 0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.377 0.154 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.084 1.689 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.661 1.417 0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.151 0.843 -0.257 1.00 0.00 H new ATOM 163 N LEU A 15 -8.486 2.055 -0.173 1.00 0.00 N ATOM 164 CA LEU A 15 -7.094 2.438 0.037 1.00 0.00 C ATOM 165 C LEU A 15 -6.933 3.954 -0.013 1.00 0.00 C ATOM 166 O LEU A 15 -7.144 4.577 -1.054 1.00 0.00 O ATOM 167 CB LEU A 15 -6.199 1.784 -1.017 1.00 0.00 C ATOM 168 CG LEU A 15 -4.692 1.913 -0.793 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.267 1.135 0.442 1.00 0.00 C ATOM 170 CD2 LEU A 15 -3.928 1.433 -2.018 1.00 0.00 C ATOM 0 H LEU A 15 -8.687 1.691 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.793 2.091 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.449 0.724 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.440 2.217 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.457 2.965 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.191 1.239 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.789 1.526 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.516 0.082 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.857 1.532 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.169 0.387 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.210 2.035 -2.882 1.00 0.00 H new ATOM 182 N HIS A 16 -6.556 4.542 1.118 1.00 0.00 N ATOM 183 CA HIS A 16 -6.363 5.985 1.202 1.00 0.00 C ATOM 184 C HIS A 16 -5.651 6.364 2.497 1.00 0.00 C ATOM 185 O HIS A 16 -5.245 5.496 3.271 1.00 0.00 O ATOM 186 CB HIS A 16 -7.709 6.706 1.116 1.00 0.00 C ATOM 187 CG HIS A 16 -8.717 6.212 2.107 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.818 5.461 1.751 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.786 6.363 3.451 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.521 5.174 2.832 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.916 5.710 3.877 1.00 0.00 N ATOM 0 H HIS A 16 -6.378 4.041 1.989 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.740 6.293 0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.551 7.773 1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.112 6.587 0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.083 6.898 4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.435 4.599 2.857 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.236 5.649 4.843 1.00 0.00 H new ATOM 200 N VAL A 17 -5.503 7.665 2.727 1.00 0.00 N ATOM 201 CA VAL A 17 -4.841 8.158 3.928 1.00 0.00 C ATOM 202 C VAL A 17 -5.850 8.732 4.916 1.00 0.00 C ATOM 203 O VAL A 17 -6.790 9.427 4.528 1.00 0.00 O ATOM 204 CB VAL A 17 -3.797 9.239 3.590 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.444 10.385 2.827 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.124 9.744 4.857 1.00 0.00 C ATOM 0 H VAL A 17 -5.833 8.396 2.097 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.336 7.306 4.383 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.032 8.795 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.692 11.139 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.875 10.007 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.230 10.831 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.389 10.507 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.874 10.172 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.625 8.915 5.359 1.00 0.00 H new ATOM 216 N THR A 18 -5.649 8.439 6.197 1.00 0.00 N ATOM 217 CA THR A 18 -6.542 8.926 7.241 1.00 0.00 C ATOM 218 C THR A 18 -5.886 10.039 8.050 1.00 0.00 C ATOM 219 O THR A 18 -6.508 10.624 8.936 1.00 0.00 O ATOM 220 CB THR A 18 -6.960 7.791 8.196 1.00 0.00 C ATOM 221 OG1 THR A 18 -8.040 8.226 9.030 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.788 7.353 9.062 1.00 0.00 C ATOM 0 H THR A 18 -4.876 7.867 6.536 1.00 0.00 H new ATOM 0 HA THR A 18 -7.429 9.317 6.742 1.00 0.00 H new ATOM 0 HB THR A 18 -7.285 6.941 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.885 9.153 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.107 6.551 9.728 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.979 6.995 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.437 8.198 9.654 1.00 0.00 H new ATOM 230 N GLY A 19 -4.627 10.329 7.738 1.00 0.00 N ATOM 231 CA GLY A 19 -3.908 11.373 8.445 1.00 0.00 C ATOM 232 C GLY A 19 -2.471 11.504 7.981 1.00 0.00 C ATOM 233 O GLY A 19 -1.543 11.130 8.699 1.00 0.00 O ATOM 0 H GLY A 19 -4.092 9.859 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.421 12.324 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.923 11.160 9.514 1.00 0.00 H new ATOM 237 N LEU A 20 -2.286 12.034 6.777 1.00 0.00 N ATOM 238 CA LEU A 20 -0.951 12.212 6.217 1.00 0.00 C ATOM 239 C LEU A 20 -0.145 13.214 7.038 1.00 0.00 C ATOM 240 O LEU A 20 -0.687 13.907 7.899 1.00 0.00 O ATOM 241 CB LEU A 20 -1.045 12.684 4.765 1.00 0.00 C ATOM 242 CG LEU A 20 -1.060 14.198 4.551 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.250 14.527 3.078 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.153 14.844 5.389 1.00 0.00 C ATOM 0 H LEU A 20 -3.043 12.348 6.170 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.439 11.250 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.202 12.268 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.951 12.266 4.326 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.099 14.601 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.258 15.609 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.432 14.097 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.196 14.112 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.149 15.921 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.122 14.436 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.972 14.638 6.444 1.00 0.00 H new ATOM 256 N THR A 21 1.154 13.286 6.765 1.00 0.00 N ATOM 257 CA THR A 21 2.035 14.203 7.477 1.00 0.00 C ATOM 258 C THR A 21 3.098 14.777 6.547 1.00 0.00 C ATOM 259 O THR A 21 3.402 14.201 5.502 1.00 0.00 O ATOM 260 CB THR A 21 2.728 13.508 8.664 1.00 0.00 C ATOM 261 OG1 THR A 21 1.792 12.676 9.359 1.00 0.00 O ATOM 262 CG2 THR A 21 3.314 14.532 9.623 1.00 0.00 C ATOM 0 H THR A 21 1.619 12.720 6.056 1.00 0.00 H new ATOM 0 HA THR A 21 1.411 15.013 7.854 1.00 0.00 H new ATOM 0 HB THR A 21 3.539 12.894 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.217 11.821 9.582 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.798 14.018 10.453 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.047 15.144 9.098 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.517 15.169 10.006 1.00 0.00 H new ATOM 270 N THR A 22 3.664 15.916 6.934 1.00 0.00 N ATOM 271 CA THR A 22 4.693 16.569 6.135 1.00 0.00 C ATOM 272 C THR A 22 5.786 15.584 5.736 1.00 0.00 C ATOM 273 O THR A 22 6.212 15.549 4.582 1.00 0.00 O ATOM 274 CB THR A 22 5.332 17.746 6.896 1.00 0.00 C ATOM 275 OG1 THR A 22 5.845 17.296 8.154 1.00 0.00 O ATOM 276 CG2 THR A 22 4.318 18.857 7.124 1.00 0.00 C ATOM 0 H THR A 22 3.427 16.405 7.797 1.00 0.00 H new ATOM 0 HA THR A 22 4.204 16.948 5.238 1.00 0.00 H new ATOM 0 HB THR A 22 6.149 18.140 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.251 18.050 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.792 19.677 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.952 19.218 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.483 18.473 7.710 1.00 0.00 H new ATOM 284 N SER A 23 6.235 14.783 6.698 1.00 0.00 N ATOM 285 CA SER A 23 7.281 13.799 6.447 1.00 0.00 C ATOM 286 C SER A 23 6.691 12.396 6.338 1.00 0.00 C ATOM 287 O SER A 23 7.067 11.617 5.461 1.00 0.00 O ATOM 288 CB SER A 23 8.328 13.840 7.561 1.00 0.00 C ATOM 289 OG SER A 23 9.220 14.926 7.383 1.00 0.00 O ATOM 0 H SER A 23 5.890 14.797 7.658 1.00 0.00 H new ATOM 0 HA SER A 23 7.760 14.048 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.832 13.928 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.887 12.904 7.573 1.00 0.00 H new ATOM 0 HG SER A 23 9.878 14.931 8.109 1.00 0.00 H new ATOM 295 N THR A 24 5.765 12.079 7.238 1.00 0.00 N ATOM 296 CA THR A 24 5.124 10.770 7.245 1.00 0.00 C ATOM 297 C THR A 24 3.754 10.825 6.578 1.00 0.00 C ATOM 298 O THR A 24 3.212 11.903 6.335 1.00 0.00 O ATOM 299 CB THR A 24 4.962 10.232 8.680 1.00 0.00 C ATOM 300 OG1 THR A 24 3.930 10.955 9.360 1.00 0.00 O ATOM 301 CG2 THR A 24 6.266 10.351 9.453 1.00 0.00 C ATOM 0 H THR A 24 5.443 12.711 7.971 1.00 0.00 H new ATOM 0 HA THR A 24 5.772 10.098 6.683 1.00 0.00 H new ATOM 0 HB THR A 24 4.689 9.178 8.621 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.832 10.606 10.271 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.127 9.965 10.463 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.042 9.776 8.948 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.565 11.398 9.503 1.00 0.00 H new ATOM 309 N THR A 25 3.198 9.654 6.283 1.00 0.00 N ATOM 310 CA THR A 25 1.891 9.568 5.642 1.00 0.00 C ATOM 311 C THR A 25 1.119 8.348 6.130 1.00 0.00 C ATOM 312 O THR A 25 1.528 7.211 5.900 1.00 0.00 O ATOM 313 CB THR A 25 2.021 9.501 4.109 1.00 0.00 C ATOM 314 OG1 THR A 25 2.230 10.813 3.576 1.00 0.00 O ATOM 315 CG2 THR A 25 0.774 8.889 3.487 1.00 0.00 C ATOM 0 H THR A 25 3.632 8.752 6.478 1.00 0.00 H new ATOM 0 HA THR A 25 1.345 10.472 5.913 1.00 0.00 H new ATOM 0 HB THR A 25 2.877 8.871 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.438 11.433 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.889 8.852 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.634 7.879 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.095 9.497 3.739 1.00 0.00 H new ATOM 323 N GLU A 26 -0.001 8.593 6.805 1.00 0.00 N ATOM 324 CA GLU A 26 -0.830 7.513 7.325 1.00 0.00 C ATOM 325 C GLU A 26 -1.616 6.841 6.202 1.00 0.00 C ATOM 326 O GLU A 26 -1.726 7.378 5.099 1.00 0.00 O ATOM 327 CB GLU A 26 -1.793 8.045 8.388 1.00 0.00 C ATOM 328 CG GLU A 26 -1.142 8.269 9.742 1.00 0.00 C ATOM 329 CD GLU A 26 -2.143 8.251 10.881 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.271 8.750 10.686 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.798 7.740 11.967 1.00 0.00 O ATOM 0 H GLU A 26 -0.354 9.529 7.004 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.172 6.772 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.221 8.985 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.618 7.342 8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.390 7.498 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.621 9.226 9.736 1.00 0.00 H new ATOM 338 N LEU A 27 -2.159 5.664 6.491 1.00 0.00 N ATOM 339 CA LEU A 27 -2.935 4.917 5.506 1.00 0.00 C ATOM 340 C LEU A 27 -4.057 4.133 6.178 1.00 0.00 C ATOM 341 O LEU A 27 -4.039 3.918 7.390 1.00 0.00 O ATOM 342 CB LEU A 27 -2.026 3.964 4.728 1.00 0.00 C ATOM 343 CG LEU A 27 -0.776 4.587 4.106 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.124 3.509 3.522 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.161 5.599 3.036 1.00 0.00 C ATOM 0 H LEU A 27 -2.077 5.206 7.399 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.380 5.631 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.713 3.164 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.612 3.503 3.933 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.225 5.107 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.008 3.971 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.427 2.821 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.418 2.961 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.259 6.033 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.735 5.101 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.765 6.389 3.483 1.00 0.00 H new ATOM 357 N ALA A 28 -5.032 3.705 5.382 1.00 0.00 N ATOM 358 CA ALA A 28 -6.160 2.940 5.899 1.00 0.00 C ATOM 359 C ALA A 28 -6.958 2.305 4.766 1.00 0.00 C ATOM 360 O ALA A 28 -7.689 2.989 4.050 1.00 0.00 O ATOM 361 CB ALA A 28 -7.058 3.831 6.745 1.00 0.00 C ATOM 0 H ALA A 28 -5.063 3.875 4.377 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.768 2.139 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.896 3.247 7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.487 4.233 7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.435 4.652 6.135 1.00 0.00 H new ATOM 367 N TRP A 29 -6.812 0.994 4.608 1.00 0.00 N ATOM 368 CA TRP A 29 -7.520 0.267 3.561 1.00 0.00 C ATOM 369 C TRP A 29 -8.300 -0.906 4.144 1.00 0.00 C ATOM 370 O TRP A 29 -8.301 -1.122 5.356 1.00 0.00 O ATOM 371 CB TRP A 29 -6.534 -0.234 2.505 1.00 0.00 C ATOM 372 CG TRP A 29 -5.522 -1.198 3.047 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.621 -2.560 3.076 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.260 -0.873 3.639 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.496 -3.101 3.651 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.646 -2.087 4.004 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.588 0.325 3.895 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.394 -2.134 4.612 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.345 0.276 4.498 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.758 -0.946 4.850 1.00 0.00 C ATOM 0 H TRP A 29 -6.210 0.413 5.192 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.227 0.951 3.092 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.089 -0.715 1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.015 0.620 2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.460 -3.128 2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.322 -4.096 3.792 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.032 1.272 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.941 -3.075 4.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.817 1.196 4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.785 -0.951 5.318 1.00 0.00 H new ATOM 391 N ASP A 30 -8.962 -1.661 3.274 1.00 0.00 N ATOM 392 CA ASP A 30 -9.745 -2.814 3.704 1.00 0.00 C ATOM 393 C ASP A 30 -9.327 -4.068 2.944 1.00 0.00 C ATOM 394 O ASP A 30 -8.695 -4.003 1.889 1.00 0.00 O ATOM 395 CB ASP A 30 -11.237 -2.550 3.495 1.00 0.00 C ATOM 396 CG ASP A 30 -11.890 -1.921 4.711 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.412 -2.173 5.836 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.878 -1.178 4.536 1.00 0.00 O ATOM 0 H ASP A 30 -8.972 -1.496 2.268 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.557 -2.975 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.370 -1.894 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.740 -3.488 3.261 1.00 0.00 H new ATOM 403 N PRO A 31 -9.685 -5.239 3.492 1.00 0.00 N ATOM 404 CA PRO A 31 -9.356 -6.532 2.882 1.00 0.00 C ATOM 405 C PRO A 31 -10.138 -6.782 1.597 1.00 0.00 C ATOM 406 O PRO A 31 -11.146 -6.132 1.318 1.00 0.00 O ATOM 407 CB PRO A 31 -9.758 -7.543 3.958 1.00 0.00 C ATOM 408 CG PRO A 31 -10.806 -6.850 4.758 1.00 0.00 C ATOM 409 CD PRO A 31 -10.438 -5.392 4.747 1.00 0.00 C ATOM 0 HA PRO A 31 -8.307 -6.592 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.142 -8.462 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.906 -7.821 4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.794 -7.006 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.839 -7.237 5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.322 -4.754 4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.833 -5.124 5.613 1.00 0.00 H new ATOM 417 N PRO A 32 -9.665 -7.747 0.794 1.00 0.00 N ATOM 418 CA PRO A 32 -10.306 -8.106 -0.474 1.00 0.00 C ATOM 419 C PRO A 32 -11.649 -8.798 -0.270 1.00 0.00 C ATOM 420 O PRO A 32 -11.737 -9.811 0.425 1.00 0.00 O ATOM 421 CB PRO A 32 -9.302 -9.065 -1.119 1.00 0.00 C ATOM 422 CG PRO A 32 -8.544 -9.646 0.024 1.00 0.00 C ATOM 423 CD PRO A 32 -8.469 -8.562 1.064 1.00 0.00 C ATOM 0 HA PRO A 32 -10.529 -7.228 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.808 -9.841 -1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.639 -8.540 -1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.047 -10.530 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.547 -9.958 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.482 -8.972 2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.554 -7.977 0.969 1.00 0.00 H new ATOM 431 N VAL A 33 -12.693 -8.246 -0.880 1.00 0.00 N ATOM 432 CA VAL A 33 -14.032 -8.812 -0.766 1.00 0.00 C ATOM 433 C VAL A 33 -13.980 -10.333 -0.681 1.00 0.00 C ATOM 434 O VAL A 33 -13.376 -10.993 -1.528 1.00 0.00 O ATOM 435 CB VAL A 33 -14.917 -8.405 -1.959 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.343 -6.950 -1.836 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.185 -8.645 -3.271 1.00 0.00 C ATOM 0 H VAL A 33 -12.637 -7.408 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.467 -8.414 0.151 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.814 -9.024 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.968 -6.680 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.908 -6.813 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.459 -6.312 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.825 -8.352 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.270 -8.053 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.935 -9.702 -3.360 1.00 0.00 H new ATOM 447 N LEU A 34 -14.618 -10.885 0.345 1.00 0.00 N ATOM 448 CA LEU A 34 -14.646 -12.331 0.541 1.00 0.00 C ATOM 449 C LEU A 34 -14.884 -13.055 -0.780 1.00 0.00 C ATOM 450 O LEU A 34 -14.515 -14.218 -0.937 1.00 0.00 O ATOM 451 CB LEU A 34 -15.736 -12.708 1.546 1.00 0.00 C ATOM 452 CG LEU A 34 -17.116 -13.006 0.959 1.00 0.00 C ATOM 453 CD1 LEU A 34 -17.169 -14.424 0.414 1.00 0.00 C ATOM 454 CD2 LEU A 34 -18.198 -12.795 2.008 1.00 0.00 C ATOM 0 H LEU A 34 -15.123 -10.354 1.054 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.677 -12.639 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.403 -13.585 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.837 -11.895 2.265 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.297 -12.315 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.159 -14.618 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -16.419 -14.541 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.967 -15.131 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.174 -13.012 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.021 -13.461 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.175 -11.761 2.351 1.00 0.00 H new ATOM 466 N ALA A 35 -15.501 -12.357 -1.728 1.00 0.00 N ATOM 467 CA ALA A 35 -15.785 -12.932 -3.037 1.00 0.00 C ATOM 468 C ALA A 35 -14.496 -13.273 -3.778 1.00 0.00 C ATOM 469 O ALA A 35 -14.339 -14.380 -4.291 1.00 0.00 O ATOM 470 CB ALA A 35 -16.633 -11.975 -3.862 1.00 0.00 C ATOM 0 H ALA A 35 -15.814 -11.393 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.343 -13.856 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.837 -12.418 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.574 -11.785 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.096 -11.036 -3.995 1.00 0.00 H new ATOM 476 N GLU A 36 -13.578 -12.313 -3.830 1.00 0.00 N ATOM 477 CA GLU A 36 -12.303 -12.512 -4.511 1.00 0.00 C ATOM 478 C GLU A 36 -11.193 -12.817 -3.508 1.00 0.00 C ATOM 479 O GLU A 36 -10.340 -11.972 -3.235 1.00 0.00 O ATOM 480 CB GLU A 36 -11.938 -11.273 -5.331 1.00 0.00 C ATOM 481 CG GLU A 36 -12.826 -11.064 -6.546 1.00 0.00 C ATOM 482 CD GLU A 36 -12.371 -11.871 -7.747 1.00 0.00 C ATOM 483 OE1 GLU A 36 -11.145 -11.991 -7.951 1.00 0.00 O ATOM 484 OE2 GLU A 36 -13.241 -12.382 -8.482 1.00 0.00 O ATOM 0 H GLU A 36 -13.693 -11.391 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.408 -13.364 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.000 -10.393 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.902 -11.357 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.850 -11.340 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.836 -10.006 -6.807 1.00 0.00 H new ATOM 491 N ARG A 37 -11.213 -14.029 -2.963 1.00 0.00 N ATOM 492 CA ARG A 37 -10.210 -14.445 -1.990 1.00 0.00 C ATOM 493 C ARG A 37 -9.611 -15.796 -2.371 1.00 0.00 C ATOM 494 O ARG A 37 -9.983 -16.829 -1.816 1.00 0.00 O ATOM 495 CB ARG A 37 -10.827 -14.524 -0.593 1.00 0.00 C ATOM 496 CG ARG A 37 -11.069 -13.166 0.044 1.00 0.00 C ATOM 497 CD ARG A 37 -11.385 -13.293 1.526 1.00 0.00 C ATOM 498 NE ARG A 37 -12.193 -14.476 1.814 1.00 0.00 N ATOM 499 CZ ARG A 37 -12.281 -15.031 3.017 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.615 -14.513 4.040 1.00 0.00 N ATOM 501 NH2 ARG A 37 -13.036 -16.106 3.200 1.00 0.00 N ATOM 0 H ARG A 37 -11.912 -14.740 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.413 -13.702 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.773 -15.061 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.170 -15.107 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.187 -12.539 -0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.895 -12.667 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.455 -13.343 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.915 -12.402 1.861 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.718 -14.899 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.033 -13.686 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.684 -14.941 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.550 -16.508 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.102 -16.531 4.125 1.00 0.00 H new ATOM 515 N ASN A 38 -8.682 -15.779 -3.321 1.00 0.00 N ATOM 516 CA ASN A 38 -8.032 -17.002 -3.777 1.00 0.00 C ATOM 517 C ASN A 38 -7.765 -17.944 -2.607 1.00 0.00 C ATOM 518 O ASN A 38 -7.862 -19.163 -2.743 1.00 0.00 O ATOM 519 CB ASN A 38 -6.720 -16.672 -4.491 1.00 0.00 C ATOM 520 CG ASN A 38 -6.379 -17.681 -5.570 1.00 0.00 C ATOM 521 OD1 ASN A 38 -6.496 -18.890 -5.364 1.00 0.00 O ATOM 522 ND2 ASN A 38 -5.954 -17.189 -6.728 1.00 0.00 N ATOM 0 H ASN A 38 -8.362 -14.932 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.702 -17.501 -4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.791 -15.679 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.911 -16.637 -3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.709 -17.820 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.872 -16.180 -6.854 1.00 0.00 H new ATOM 529 N GLY A 39 -7.427 -17.369 -1.457 1.00 0.00 N ATOM 530 CA GLY A 39 -7.151 -18.172 -0.279 1.00 0.00 C ATOM 531 C GLY A 39 -7.361 -17.402 1.009 1.00 0.00 C ATOM 532 O GLY A 39 -8.477 -16.983 1.315 1.00 0.00 O ATOM 0 H GLY A 39 -7.339 -16.362 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.796 -19.051 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.123 -18.531 -0.321 1.00 0.00 H new ATOM 536 N ARG A 40 -6.285 -17.216 1.768 1.00 0.00 N ATOM 537 CA ARG A 40 -6.357 -16.494 3.032 1.00 0.00 C ATOM 538 C ARG A 40 -5.393 -15.312 3.039 1.00 0.00 C ATOM 539 O ARG A 40 -4.522 -15.204 2.175 1.00 0.00 O ATOM 540 CB ARG A 40 -6.039 -17.432 4.198 1.00 0.00 C ATOM 541 CG ARG A 40 -7.119 -18.471 4.457 1.00 0.00 C ATOM 542 CD ARG A 40 -7.162 -18.876 5.921 1.00 0.00 C ATOM 543 NE ARG A 40 -8.236 -19.828 6.194 1.00 0.00 N ATOM 544 CZ ARG A 40 -8.785 -19.993 7.392 1.00 0.00 C ATOM 545 NH1 ARG A 40 -8.363 -19.274 8.423 1.00 0.00 N ATOM 546 NH2 ARG A 40 -9.758 -20.879 7.561 1.00 0.00 N ATOM 0 H ARG A 40 -5.353 -17.556 1.529 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.372 -16.113 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.097 -17.942 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.893 -16.839 5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.089 -18.071 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.935 -19.351 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.206 -19.317 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.298 -17.988 6.539 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.583 -20.397 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.615 -18.592 8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.786 -19.403 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.085 -21.434 6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.179 -21.005 8.482 1.00 0.00 H new ATOM 560 N ILE A 41 -5.555 -14.428 4.018 1.00 0.00 N ATOM 561 CA ILE A 41 -4.699 -13.255 4.136 1.00 0.00 C ATOM 562 C ILE A 41 -3.804 -13.349 5.368 1.00 0.00 C ATOM 563 O ILE A 41 -4.239 -13.795 6.430 1.00 0.00 O ATOM 564 CB ILE A 41 -5.527 -11.959 4.216 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.591 -11.939 3.116 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.620 -10.743 4.105 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.058 -12.320 1.753 1.00 0.00 C ATOM 0 H ILE A 41 -6.271 -14.502 4.741 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.079 -13.226 3.240 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.030 -11.926 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.395 -12.623 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.026 -10.941 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.220 -9.835 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.897 -10.753 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.092 -10.769 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.867 -12.284 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.274 -11.621 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.648 -13.329 1.792 1.00 0.00 H new ATOM 579 N ILE A 42 -2.554 -12.926 5.218 1.00 0.00 N ATOM 580 CA ILE A 42 -1.599 -12.960 6.318 1.00 0.00 C ATOM 581 C ILE A 42 -0.996 -11.581 6.567 1.00 0.00 C ATOM 582 O ILE A 42 -0.677 -11.227 7.702 1.00 0.00 O ATOM 583 CB ILE A 42 -0.462 -13.963 6.046 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.097 -13.763 4.636 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.960 -15.389 6.227 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.378 -14.526 4.381 1.00 0.00 C ATOM 0 H ILE A 42 -2.179 -12.555 4.345 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.150 -13.278 7.203 1.00 0.00 H new ATOM 0 HB ILE A 42 0.340 -13.785 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.653 -14.074 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.278 -12.701 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.145 -16.086 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.315 -15.523 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.777 -15.580 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.717 -14.338 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.143 -14.198 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.198 -15.593 4.512 1.00 0.00 H new ATOM 598 N SER A 43 -0.846 -10.806 5.498 1.00 0.00 N ATOM 599 CA SER A 43 -0.280 -9.466 5.599 1.00 0.00 C ATOM 600 C SER A 43 -0.354 -8.743 4.258 1.00 0.00 C ATOM 601 O SER A 43 -0.745 -9.325 3.246 1.00 0.00 O ATOM 602 CB SER A 43 1.173 -9.537 6.073 1.00 0.00 C ATOM 603 OG SER A 43 1.522 -8.386 6.823 1.00 0.00 O ATOM 0 H SER A 43 -1.108 -11.083 4.552 1.00 0.00 H new ATOM 0 HA SER A 43 -0.865 -8.905 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.317 -10.429 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.835 -9.629 5.212 1.00 0.00 H new ATOM 0 HG SER A 43 0.766 -7.762 6.835 1.00 0.00 H new ATOM 609 N TYR A 44 0.025 -7.469 4.258 1.00 0.00 N ATOM 610 CA TYR A 44 0.000 -6.664 3.043 1.00 0.00 C ATOM 611 C TYR A 44 1.335 -5.959 2.829 1.00 0.00 C ATOM 612 O TYR A 44 2.169 -5.892 3.733 1.00 0.00 O ATOM 613 CB TYR A 44 -1.129 -5.634 3.112 1.00 0.00 C ATOM 614 CG TYR A 44 -2.507 -6.250 3.185 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.903 -6.986 4.295 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.415 -6.094 2.145 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.161 -7.552 4.365 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.677 -6.654 2.208 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.045 -7.382 3.319 1.00 0.00 C ATOM 620 OH TYR A 44 -6.300 -7.942 3.387 1.00 0.00 O ATOM 0 H TYR A 44 0.353 -6.972 5.086 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.177 -7.331 2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.977 -4.999 3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.075 -4.989 2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.215 -7.118 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.130 -5.525 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.451 -8.124 5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.371 -6.522 1.391 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.586 -7.991 4.323 1.00 0.00 H new ATOM 630 N THR A 45 1.533 -5.431 1.625 1.00 0.00 N ATOM 631 CA THR A 45 2.766 -4.731 1.290 1.00 0.00 C ATOM 632 C THR A 45 2.477 -3.333 0.755 1.00 0.00 C ATOM 633 O THR A 45 2.070 -3.169 -0.395 1.00 0.00 O ATOM 634 CB THR A 45 3.587 -5.508 0.244 1.00 0.00 C ATOM 635 OG1 THR A 45 3.845 -6.837 0.711 1.00 0.00 O ATOM 636 CG2 THR A 45 4.904 -4.802 -0.044 1.00 0.00 C ATOM 0 H THR A 45 0.854 -5.475 0.865 1.00 0.00 H new ATOM 0 HA THR A 45 3.344 -4.653 2.211 1.00 0.00 H new ATOM 0 HB THR A 45 3.008 -5.554 -0.678 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.910 -7.446 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.466 -5.369 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.704 -3.802 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.486 -4.729 0.875 1.00 0.00 H new ATOM 644 N VAL A 46 2.690 -2.326 1.597 1.00 0.00 N ATOM 645 CA VAL A 46 2.453 -0.941 1.209 1.00 0.00 C ATOM 646 C VAL A 46 3.644 -0.374 0.443 1.00 0.00 C ATOM 647 O VAL A 46 4.644 0.026 1.038 1.00 0.00 O ATOM 648 CB VAL A 46 2.177 -0.053 2.436 1.00 0.00 C ATOM 649 CG1 VAL A 46 1.978 1.395 2.015 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.966 -0.565 3.202 1.00 0.00 C ATOM 0 H VAL A 46 3.026 -2.444 2.553 1.00 0.00 H new ATOM 0 HA VAL A 46 1.574 -0.939 0.564 1.00 0.00 H new ATOM 0 HB VAL A 46 3.043 -0.098 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.784 2.007 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.877 1.755 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.130 1.462 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.785 0.074 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.092 -0.552 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.153 -1.585 3.538 1.00 0.00 H new ATOM 660 N VAL A 47 3.528 -0.343 -0.881 1.00 0.00 N ATOM 661 CA VAL A 47 4.594 0.176 -1.729 1.00 0.00 C ATOM 662 C VAL A 47 4.370 1.649 -2.054 1.00 0.00 C ATOM 663 O VAL A 47 3.389 2.010 -2.704 1.00 0.00 O ATOM 664 CB VAL A 47 4.702 -0.618 -3.045 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.804 -0.047 -3.924 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.946 -2.092 -2.758 1.00 0.00 C ATOM 0 H VAL A 47 2.707 -0.671 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 47 5.524 0.067 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 47 3.758 -0.528 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.866 -0.620 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.581 0.994 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.756 -0.105 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.020 -2.638 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.875 -2.205 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.118 -2.490 -2.171 1.00 0.00 H new ATOM 676 N PHE A 48 5.287 2.496 -1.597 1.00 0.00 N ATOM 677 CA PHE A 48 5.189 3.931 -1.838 1.00 0.00 C ATOM 678 C PHE A 48 6.365 4.422 -2.677 1.00 0.00 C ATOM 679 O PHE A 48 7.503 3.992 -2.483 1.00 0.00 O ATOM 680 CB PHE A 48 5.142 4.690 -0.511 1.00 0.00 C ATOM 681 CG PHE A 48 6.306 4.394 0.391 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.403 3.173 1.040 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.303 5.335 0.590 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.472 2.898 1.871 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.375 5.065 1.420 1.00 0.00 C ATOM 686 CZ PHE A 48 8.460 3.845 2.061 1.00 0.00 C ATOM 0 H PHE A 48 6.106 2.214 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 48 4.268 4.120 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.114 5.760 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.217 4.440 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.634 2.428 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.242 6.291 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.535 1.943 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.145 5.808 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.297 3.631 2.709 1.00 0.00 H new ATOM 696 N ARG A 49 6.083 5.325 -3.610 1.00 0.00 N ATOM 697 CA ARG A 49 7.115 5.875 -4.480 1.00 0.00 C ATOM 698 C ARG A 49 6.727 7.265 -4.975 1.00 0.00 C ATOM 699 O ARG A 49 5.574 7.507 -5.333 1.00 0.00 O ATOM 700 CB ARG A 49 7.355 4.946 -5.672 1.00 0.00 C ATOM 701 CG ARG A 49 8.119 5.601 -6.811 1.00 0.00 C ATOM 702 CD ARG A 49 8.357 4.628 -7.955 1.00 0.00 C ATOM 703 NE ARG A 49 7.109 4.061 -8.460 1.00 0.00 N ATOM 704 CZ ARG A 49 6.982 3.527 -9.669 1.00 0.00 C ATOM 705 NH1 ARG A 49 8.020 3.487 -10.493 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.814 3.031 -10.057 1.00 0.00 N ATOM 0 H ARG A 49 5.147 5.692 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 49 8.035 5.959 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.906 4.069 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.394 4.593 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.561 6.464 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.075 5.972 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.876 5.141 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.010 3.823 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 49 6.291 4.076 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.920 3.867 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.919 3.076 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.013 3.060 -9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.717 2.621 -10.986 1.00 0.00 H new ATOM 720 N ASP A 50 7.696 8.173 -4.992 1.00 0.00 N ATOM 721 CA ASP A 50 7.456 9.539 -5.443 1.00 0.00 C ATOM 722 C ASP A 50 7.312 9.592 -6.961 1.00 0.00 C ATOM 723 O ASP A 50 8.265 9.325 -7.694 1.00 0.00 O ATOM 724 CB ASP A 50 8.595 10.455 -4.993 1.00 0.00 C ATOM 725 CG ASP A 50 8.460 11.861 -5.545 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.333 12.242 -5.925 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.480 12.579 -5.597 1.00 0.00 O ATOM 0 H ASP A 50 8.655 7.988 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 50 6.524 9.885 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.616 10.496 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.547 10.031 -5.314 1.00 0.00 H new ATOM 732 N ILE A 51 6.117 9.939 -7.425 1.00 0.00 N ATOM 733 CA ILE A 51 5.849 10.027 -8.855 1.00 0.00 C ATOM 734 C ILE A 51 6.744 11.069 -9.518 1.00 0.00 C ATOM 735 O ILE A 51 6.778 11.182 -10.743 1.00 0.00 O ATOM 736 CB ILE A 51 4.376 10.380 -9.132 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.012 11.706 -8.459 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.463 9.265 -8.645 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.719 12.305 -8.965 1.00 0.00 C ATOM 0 H ILE A 51 5.318 10.164 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 51 6.063 9.045 -9.277 1.00 0.00 H new ATOM 0 HB ILE A 51 4.240 10.490 -10.208 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.934 11.549 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.821 12.419 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.425 9.530 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.710 8.339 -9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.599 9.126 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.524 13.243 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.800 12.494 -10.035 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.900 11.610 -8.781 1.00 0.00 H new ATOM 751 N ASN A 52 7.467 11.826 -8.701 1.00 0.00 N ATOM 752 CA ASN A 52 8.364 12.858 -9.208 1.00 0.00 C ATOM 753 C ASN A 52 9.819 12.408 -9.118 1.00 0.00 C ATOM 754 O ASN A 52 10.725 13.108 -9.568 1.00 0.00 O ATOM 755 CB ASN A 52 8.172 14.160 -8.426 1.00 0.00 C ATOM 756 CG ASN A 52 6.748 14.676 -8.504 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.436 15.550 -9.314 1.00 0.00 O ATOM 758 ND2 ASN A 52 5.876 14.137 -7.660 1.00 0.00 N ATOM 0 H ASN A 52 7.450 11.745 -7.684 1.00 0.00 H new ATOM 0 HA ASN A 52 8.120 13.032 -10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.440 13.997 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.852 14.918 -8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.904 14.445 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.179 13.415 -7.006 1.00 0.00 H new ATOM 765 N SER A 53 10.034 11.234 -8.532 1.00 0.00 N ATOM 766 CA SER A 53 11.378 10.691 -8.380 1.00 0.00 C ATOM 767 C SER A 53 11.403 9.201 -8.706 1.00 0.00 C ATOM 768 O SER A 53 10.356 8.567 -8.837 1.00 0.00 O ATOM 769 CB SER A 53 11.885 10.921 -6.955 1.00 0.00 C ATOM 770 OG SER A 53 12.576 12.154 -6.852 1.00 0.00 O ATOM 0 H SER A 53 9.294 10.641 -8.155 1.00 0.00 H new ATOM 0 HA SER A 53 12.033 11.209 -9.080 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.045 10.913 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.546 10.105 -6.665 1.00 0.00 H new ATOM 0 HG SER A 53 12.888 12.278 -5.931 1.00 0.00 H new ATOM 776 N GLN A 54 12.605 8.650 -8.837 1.00 0.00 N ATOM 777 CA GLN A 54 12.766 7.234 -9.149 1.00 0.00 C ATOM 778 C GLN A 54 13.004 6.421 -7.881 1.00 0.00 C ATOM 779 O GLN A 54 13.493 5.293 -7.939 1.00 0.00 O ATOM 780 CB GLN A 54 13.929 7.035 -10.123 1.00 0.00 C ATOM 781 CG GLN A 54 13.837 5.745 -10.923 1.00 0.00 C ATOM 782 CD GLN A 54 12.745 5.788 -11.974 1.00 0.00 C ATOM 783 OE1 GLN A 54 11.670 6.345 -11.747 1.00 0.00 O ATOM 784 NE2 GLN A 54 13.014 5.197 -13.133 1.00 0.00 N ATOM 0 H GLN A 54 13.481 9.161 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 54 11.846 6.883 -9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.964 7.879 -10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.865 7.041 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.795 5.553 -11.407 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.650 4.913 -10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.918 4.747 -13.278 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.317 5.193 -13.877 1.00 0.00 H new ATOM 793 N GLN A 55 12.656 7.002 -6.737 1.00 0.00 N ATOM 794 CA GLN A 55 12.833 6.330 -5.455 1.00 0.00 C ATOM 795 C GLN A 55 11.621 5.468 -5.120 1.00 0.00 C ATOM 796 O GLN A 55 10.542 5.984 -4.830 1.00 0.00 O ATOM 797 CB GLN A 55 13.066 7.357 -4.345 1.00 0.00 C ATOM 798 CG GLN A 55 13.069 6.755 -2.950 1.00 0.00 C ATOM 799 CD GLN A 55 11.691 6.734 -2.320 1.00 0.00 C ATOM 800 OE1 GLN A 55 10.989 5.617 -2.467 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 11.261 7.712 -1.707 1.00 0.00 N flip ATOM 0 H GLN A 55 12.250 7.936 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 55 13.706 5.682 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.019 7.857 -4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.291 8.121 -4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.458 5.738 -2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.746 7.325 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.835 8.551 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.331 7.683 -1.288 1.00 0.00 H new ATOM 810 N GLU A 56 11.806 4.152 -5.163 1.00 0.00 N ATOM 811 CA GLU A 56 10.726 3.219 -4.865 1.00 0.00 C ATOM 812 C GLU A 56 10.978 2.499 -3.543 1.00 0.00 C ATOM 813 O GLU A 56 12.094 2.054 -3.268 1.00 0.00 O ATOM 814 CB GLU A 56 10.579 2.197 -5.994 1.00 0.00 C ATOM 815 CG GLU A 56 9.246 1.469 -5.986 1.00 0.00 C ATOM 816 CD GLU A 56 9.246 0.241 -6.876 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.038 -0.686 -6.609 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.453 0.209 -7.841 1.00 0.00 O ATOM 0 H GLU A 56 12.693 3.708 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 56 9.801 3.790 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.700 2.705 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.383 1.465 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.004 1.173 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.462 2.151 -6.315 1.00 0.00 H new ATOM 825 N LEU A 57 9.935 2.389 -2.728 1.00 0.00 N ATOM 826 CA LEU A 57 10.042 1.724 -1.434 1.00 0.00 C ATOM 827 C LEU A 57 8.738 1.019 -1.075 1.00 0.00 C ATOM 828 O LEU A 57 7.722 1.193 -1.747 1.00 0.00 O ATOM 829 CB LEU A 57 10.404 2.737 -0.346 1.00 0.00 C ATOM 830 CG LEU A 57 11.711 3.503 -0.550 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.639 4.869 0.114 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.887 2.705 -0.005 1.00 0.00 C ATOM 0 H LEU A 57 9.006 2.752 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 57 10.832 0.976 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.592 3.459 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.459 2.212 0.608 1.00 0.00 H new ATOM 0 HG LEU A 57 11.861 3.649 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.578 5.399 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.821 5.443 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.465 4.745 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.809 3.265 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.744 2.527 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.952 1.750 -0.526 1.00 0.00 H new ATOM 844 N GLN A 58 8.775 0.225 -0.010 1.00 0.00 N ATOM 845 CA GLN A 58 7.595 -0.506 0.439 1.00 0.00 C ATOM 846 C GLN A 58 7.764 -0.980 1.879 1.00 0.00 C ATOM 847 O GLN A 58 8.867 -0.963 2.423 1.00 0.00 O ATOM 848 CB GLN A 58 7.331 -1.702 -0.477 1.00 0.00 C ATOM 849 CG GLN A 58 8.439 -2.742 -0.453 1.00 0.00 C ATOM 850 CD GLN A 58 8.566 -3.489 -1.767 1.00 0.00 C ATOM 851 OE1 GLN A 58 8.060 -4.602 -1.913 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.245 -2.879 -2.731 1.00 0.00 N ATOM 0 H GLN A 58 9.608 0.071 0.558 1.00 0.00 H new ATOM 0 HA GLN A 58 6.741 0.170 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.394 -2.175 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.201 -1.345 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.386 -2.253 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.246 -3.455 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.648 -1.956 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.364 -3.333 -3.637 1.00 0.00 H new ATOM 861 N ASN A 59 6.662 -1.401 2.490 1.00 0.00 N ATOM 862 CA ASN A 59 6.687 -1.879 3.868 1.00 0.00 C ATOM 863 C ASN A 59 5.745 -3.065 4.050 1.00 0.00 C ATOM 864 O ASN A 59 4.946 -3.377 3.166 1.00 0.00 O ATOM 865 CB ASN A 59 6.300 -0.753 4.828 1.00 0.00 C ATOM 866 CG ASN A 59 7.437 0.222 5.065 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.303 1.421 4.822 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.566 -0.291 5.542 1.00 0.00 N ATOM 0 H ASN A 59 5.740 -1.421 2.053 1.00 0.00 H new ATOM 0 HA ASN A 59 7.702 -2.206 4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.442 -0.215 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.989 -1.182 5.780 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.366 0.316 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.633 -1.291 5.729 1.00 0.00 H new ATOM 875 N ILE A 60 5.842 -3.720 5.202 1.00 0.00 N ATOM 876 CA ILE A 60 4.997 -4.869 5.501 1.00 0.00 C ATOM 877 C ILE A 60 4.391 -4.758 6.896 1.00 0.00 C ATOM 878 O ILE A 60 5.087 -4.456 7.866 1.00 0.00 O ATOM 879 CB ILE A 60 5.785 -6.189 5.399 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.509 -6.274 4.054 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.853 -7.377 5.581 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.433 -7.466 3.939 1.00 0.00 C ATOM 0 H ILE A 60 6.498 -3.474 5.944 1.00 0.00 H new ATOM 0 HA ILE A 60 4.198 -4.874 4.760 1.00 0.00 H new ATOM 0 HB ILE A 60 6.531 -6.212 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.769 -6.320 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.086 -5.362 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.424 -8.302 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.379 -7.321 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.087 -7.360 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.912 -7.462 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.195 -7.412 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.858 -8.385 4.058 1.00 0.00 H new ATOM 894 N THR A 61 3.088 -5.006 6.991 1.00 0.00 N ATOM 895 CA THR A 61 2.388 -4.935 8.266 1.00 0.00 C ATOM 896 C THR A 61 1.235 -5.932 8.317 1.00 0.00 C ATOM 897 O THR A 61 0.571 -6.182 7.310 1.00 0.00 O ATOM 898 CB THR A 61 1.839 -3.520 8.528 1.00 0.00 C ATOM 899 OG1 THR A 61 1.201 -3.470 9.809 1.00 0.00 O ATOM 900 CG2 THR A 61 0.849 -3.115 7.447 1.00 0.00 C ATOM 0 H THR A 61 2.497 -5.258 6.199 1.00 0.00 H new ATOM 0 HA THR A 61 3.115 -5.184 9.039 1.00 0.00 H new ATOM 0 HB THR A 61 2.676 -2.822 8.513 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.857 -2.566 9.968 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.475 -2.112 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.346 -3.124 6.477 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.016 -3.818 7.435 1.00 0.00 H new ATOM 908 N THR A 62 1.001 -6.499 9.496 1.00 0.00 N ATOM 909 CA THR A 62 -0.071 -7.469 9.678 1.00 0.00 C ATOM 910 C THR A 62 -1.410 -6.774 9.899 1.00 0.00 C ATOM 911 O THR A 62 -2.335 -7.355 10.467 1.00 0.00 O ATOM 912 CB THR A 62 0.213 -8.403 10.870 1.00 0.00 C ATOM 913 OG1 THR A 62 0.547 -7.631 12.029 1.00 0.00 O ATOM 914 CG2 THR A 62 1.349 -9.362 10.548 1.00 0.00 C ATOM 0 H THR A 62 1.540 -6.303 10.340 1.00 0.00 H new ATOM 0 HA THR A 62 -0.119 -8.062 8.765 1.00 0.00 H new ATOM 0 HB THR A 62 -0.687 -8.985 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.724 -8.232 12.782 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.531 -10.011 11.405 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.079 -9.969 9.684 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.252 -8.794 10.325 1.00 0.00 H new ATOM 922 N ASP A 63 -1.506 -5.529 9.447 1.00 0.00 N ATOM 923 CA ASP A 63 -2.733 -4.755 9.594 1.00 0.00 C ATOM 924 C ASP A 63 -3.162 -4.157 8.257 1.00 0.00 C ATOM 925 O ASP A 63 -2.361 -4.049 7.328 1.00 0.00 O ATOM 926 CB ASP A 63 -2.540 -3.643 10.626 1.00 0.00 C ATOM 927 CG ASP A 63 -2.792 -4.118 12.043 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.971 -4.322 12.400 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.810 -4.288 12.795 1.00 0.00 O ATOM 0 H ASP A 63 -0.749 -5.034 8.976 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.518 -5.428 9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.524 -3.254 10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.215 -2.818 10.397 1.00 0.00 H new ATOM 934 N THR A 64 -4.431 -3.770 8.167 1.00 0.00 N ATOM 935 CA THR A 64 -4.966 -3.185 6.945 1.00 0.00 C ATOM 936 C THR A 64 -4.633 -1.701 6.853 1.00 0.00 C ATOM 937 O THR A 64 -5.256 -0.961 6.092 1.00 0.00 O ATOM 938 CB THR A 64 -6.494 -3.363 6.860 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.059 -3.377 8.175 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.850 -4.652 6.135 1.00 0.00 C ATOM 0 H THR A 64 -5.107 -3.852 8.927 1.00 0.00 H new ATOM 0 HA THR A 64 -4.499 -3.711 6.112 1.00 0.00 H new ATOM 0 HB THR A 64 -6.904 -2.524 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.031 -3.489 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.934 -4.755 6.088 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.444 -4.625 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.428 -5.501 6.673 1.00 0.00 H new ATOM 948 N ARG A 65 -3.646 -1.272 7.633 1.00 0.00 N ATOM 949 CA ARG A 65 -3.230 0.126 7.640 1.00 0.00 C ATOM 950 C ARG A 65 -1.716 0.241 7.790 1.00 0.00 C ATOM 951 O ARG A 65 -1.044 -0.717 8.173 1.00 0.00 O ATOM 952 CB ARG A 65 -3.924 0.881 8.775 1.00 0.00 C ATOM 953 CG ARG A 65 -3.432 0.488 10.159 1.00 0.00 C ATOM 954 CD ARG A 65 -2.272 1.364 10.606 1.00 0.00 C ATOM 955 NE ARG A 65 -1.750 0.957 11.908 1.00 0.00 N ATOM 956 CZ ARG A 65 -0.659 1.478 12.458 1.00 0.00 C ATOM 957 NH1 ARG A 65 0.022 2.421 11.822 1.00 0.00 N ATOM 958 NH2 ARG A 65 -0.246 1.056 13.646 1.00 0.00 N ATOM 0 H ARG A 65 -3.120 -1.872 8.268 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.519 0.570 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.771 1.951 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.998 0.702 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.250 0.572 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.120 -0.556 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.475 1.316 9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.600 2.402 10.655 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.251 0.233 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.292 2.748 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.859 2.819 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.767 0.330 14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.592 1.457 14.067 1.00 0.00 H new ATOM 972 N PHE A 66 -1.185 1.421 7.484 1.00 0.00 N ATOM 973 CA PHE A 66 0.250 1.661 7.582 1.00 0.00 C ATOM 974 C PHE A 66 0.560 3.152 7.474 1.00 0.00 C ATOM 975 O PHE A 66 -0.182 3.909 6.847 1.00 0.00 O ATOM 976 CB PHE A 66 0.994 0.893 6.488 1.00 0.00 C ATOM 977 CG PHE A 66 2.482 0.855 6.688 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.070 -0.159 7.427 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.294 1.834 6.138 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.439 -0.197 7.613 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.663 1.801 6.320 1.00 0.00 C ATOM 982 CZ PHE A 66 5.236 0.785 7.059 1.00 0.00 C ATOM 0 H PHE A 66 -1.727 2.225 7.166 1.00 0.00 H new ATOM 0 HA PHE A 66 0.587 1.307 8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.614 -0.128 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.777 1.350 5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.451 -0.929 7.863 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.851 2.632 5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.885 -0.993 8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.285 2.569 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.306 0.758 7.203 1.00 0.00 H new ATOM 992 N THR A 67 1.663 3.567 8.090 1.00 0.00 N ATOM 993 CA THR A 67 2.071 4.966 8.065 1.00 0.00 C ATOM 994 C THR A 67 3.483 5.116 7.511 1.00 0.00 C ATOM 995 O THR A 67 4.461 4.755 8.168 1.00 0.00 O ATOM 996 CB THR A 67 2.013 5.593 9.471 1.00 0.00 C ATOM 997 OG1 THR A 67 0.691 5.473 10.007 1.00 0.00 O ATOM 998 CG2 THR A 67 2.416 7.059 9.426 1.00 0.00 C ATOM 0 H THR A 67 2.289 2.954 8.612 1.00 0.00 H new ATOM 0 HA THR A 67 1.371 5.489 7.414 1.00 0.00 H new ATOM 0 HB THR A 67 2.714 5.059 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.647 5.928 10.874 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.368 7.481 10.430 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.434 7.145 9.045 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.736 7.603 8.771 1.00 0.00 H new ATOM 1006 N LEU A 68 3.585 5.653 6.300 1.00 0.00 N ATOM 1007 CA LEU A 68 4.879 5.852 5.658 1.00 0.00 C ATOM 1008 C LEU A 68 5.728 6.848 6.441 1.00 0.00 C ATOM 1009 O LEU A 68 5.261 7.456 7.405 1.00 0.00 O ATOM 1010 CB LEU A 68 4.688 6.346 4.222 1.00 0.00 C ATOM 1011 CG LEU A 68 4.183 5.309 3.218 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.717 3.928 3.562 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.662 5.300 3.180 1.00 0.00 C ATOM 0 H LEU A 68 2.787 5.958 5.743 1.00 0.00 H new ATOM 0 HA LEU A 68 5.399 4.894 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.987 7.180 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.641 6.736 3.863 1.00 0.00 H new ATOM 0 HG LEU A 68 4.550 5.582 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.347 3.204 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.807 3.943 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.381 3.646 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.320 4.556 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.275 5.053 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.300 6.284 2.884 1.00 0.00 H new ATOM 1025 N THR A 69 6.979 7.012 6.020 1.00 0.00 N ATOM 1026 CA THR A 69 7.893 7.935 6.681 1.00 0.00 C ATOM 1027 C THR A 69 9.059 8.300 5.770 1.00 0.00 C ATOM 1028 O THR A 69 9.216 7.734 4.689 1.00 0.00 O ATOM 1029 CB THR A 69 8.445 7.338 7.989 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.306 6.232 7.698 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.312 6.880 8.895 1.00 0.00 C ATOM 0 H THR A 69 7.382 6.517 5.224 1.00 0.00 H new ATOM 0 HA THR A 69 7.322 8.834 6.913 1.00 0.00 H new ATOM 0 HB THR A 69 9.012 8.113 8.505 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.654 5.859 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.726 6.462 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.675 7.730 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.722 6.119 8.384 1.00 0.00 H new ATOM 1039 N GLY A 70 9.877 9.249 6.215 1.00 0.00 N ATOM 1040 CA GLY A 70 11.020 9.673 5.427 1.00 0.00 C ATOM 1041 C GLY A 70 10.618 10.229 4.075 1.00 0.00 C ATOM 1042 O GLY A 70 11.344 10.076 3.092 1.00 0.00 O ATOM 0 H GLY A 70 9.769 9.732 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.576 10.432 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.692 8.827 5.283 1.00 0.00 H new ATOM 1046 N LEU A 71 9.459 10.876 4.024 1.00 0.00 N ATOM 1047 CA LEU A 71 8.960 11.456 2.782 1.00 0.00 C ATOM 1048 C LEU A 71 9.151 12.969 2.773 1.00 0.00 C ATOM 1049 O LEU A 71 9.420 13.578 3.808 1.00 0.00 O ATOM 1050 CB LEU A 71 7.481 11.115 2.595 1.00 0.00 C ATOM 1051 CG LEU A 71 7.051 9.720 3.048 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.535 9.629 3.130 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.600 8.659 2.105 1.00 0.00 C ATOM 0 H LEU A 71 8.847 11.012 4.829 1.00 0.00 H new ATOM 0 HA LEU A 71 9.531 11.032 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.888 11.850 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.234 11.224 1.539 1.00 0.00 H new ATOM 0 HG LEU A 71 7.460 9.540 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.248 8.629 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.165 10.363 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.105 9.830 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.284 7.672 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.221 8.836 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.689 8.708 2.097 1.00 0.00 H new ATOM 1065 N LYS A 72 9.007 13.571 1.597 1.00 0.00 N ATOM 1066 CA LYS A 72 9.159 15.014 1.452 1.00 0.00 C ATOM 1067 C LYS A 72 7.802 15.710 1.486 1.00 0.00 C ATOM 1068 O LYS A 72 6.819 15.234 0.918 1.00 0.00 O ATOM 1069 CB LYS A 72 9.880 15.342 0.143 1.00 0.00 C ATOM 1070 CG LYS A 72 10.573 16.694 0.153 1.00 0.00 C ATOM 1071 CD LYS A 72 11.446 16.882 -1.077 1.00 0.00 C ATOM 1072 CE LYS A 72 10.670 17.519 -2.219 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.413 17.438 -3.507 1.00 0.00 N ATOM 0 H LYS A 72 8.785 13.081 0.730 1.00 0.00 H new ATOM 0 HA LYS A 72 9.755 15.378 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.618 14.566 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.160 15.318 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.826 17.487 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.184 16.784 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.302 17.507 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.839 15.917 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.705 17.022 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.467 18.563 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.851 17.883 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.323 17.934 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.585 16.441 -3.746 1.00 0.00 H new ATOM 1087 N PRO A 73 7.746 16.865 2.165 1.00 0.00 N ATOM 1088 CA PRO A 73 6.515 17.653 2.287 1.00 0.00 C ATOM 1089 C PRO A 73 6.105 18.296 0.966 1.00 0.00 C ATOM 1090 O PRO A 73 6.953 18.747 0.195 1.00 0.00 O ATOM 1091 CB PRO A 73 6.882 18.727 3.314 1.00 0.00 C ATOM 1092 CG PRO A 73 8.362 18.862 3.209 1.00 0.00 C ATOM 1093 CD PRO A 73 8.879 17.492 2.866 1.00 0.00 C ATOM 0 HA PRO A 73 5.664 17.038 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.382 19.671 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.582 18.432 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.634 19.586 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.789 19.217 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.764 17.544 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.158 16.933 3.759 1.00 0.00 H new ATOM 1101 N ASP A 74 4.802 18.335 0.712 1.00 0.00 N ATOM 1102 CA ASP A 74 4.280 18.925 -0.515 1.00 0.00 C ATOM 1103 C ASP A 74 4.803 18.182 -1.740 1.00 0.00 C ATOM 1104 O ASP A 74 5.265 18.796 -2.702 1.00 0.00 O ATOM 1105 CB ASP A 74 4.662 20.404 -0.598 1.00 0.00 C ATOM 1106 CG ASP A 74 4.146 21.065 -1.861 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.945 20.906 -2.166 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.942 21.741 -2.544 1.00 0.00 O ATOM 0 H ASP A 74 4.088 17.965 1.339 1.00 0.00 H new ATOM 0 HA ASP A 74 3.194 18.839 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.265 20.928 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.747 20.499 -0.559 1.00 0.00 H new ATOM 1113 N THR A 75 4.727 16.855 -1.699 1.00 0.00 N ATOM 1114 CA THR A 75 5.195 16.028 -2.804 1.00 0.00 C ATOM 1115 C THR A 75 4.341 14.774 -2.951 1.00 0.00 C ATOM 1116 O THR A 75 4.179 14.005 -2.003 1.00 0.00 O ATOM 1117 CB THR A 75 6.666 15.614 -2.612 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.515 16.764 -2.709 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.078 14.584 -3.653 1.00 0.00 C ATOM 0 H THR A 75 4.346 16.330 -0.912 1.00 0.00 H new ATOM 0 HA THR A 75 5.110 16.631 -3.708 1.00 0.00 H new ATOM 0 HB THR A 75 6.770 15.169 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.991 16.748 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.121 14.307 -3.498 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.449 13.699 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.960 15.007 -4.650 1.00 0.00 H new ATOM 1127 N THR A 76 3.796 14.571 -4.147 1.00 0.00 N ATOM 1128 CA THR A 76 2.958 13.410 -4.418 1.00 0.00 C ATOM 1129 C THR A 76 3.739 12.114 -4.235 1.00 0.00 C ATOM 1130 O THR A 76 4.861 11.979 -4.724 1.00 0.00 O ATOM 1131 CB THR A 76 2.385 13.453 -5.847 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.645 14.663 -6.041 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.483 12.255 -6.104 1.00 0.00 C ATOM 0 H THR A 76 3.920 15.196 -4.943 1.00 0.00 H new ATOM 0 HA THR A 76 2.136 13.440 -3.703 1.00 0.00 H new ATOM 0 HB THR A 76 3.217 13.419 -6.550 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.285 14.684 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.090 12.307 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.056 11.336 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.656 12.263 -5.394 1.00 0.00 H new ATOM 1141 N TYR A 77 3.140 11.162 -3.528 1.00 0.00 N ATOM 1142 CA TYR A 77 3.780 9.876 -3.279 1.00 0.00 C ATOM 1143 C TYR A 77 2.857 8.724 -3.663 1.00 0.00 C ATOM 1144 O TYR A 77 1.876 8.443 -2.974 1.00 0.00 O ATOM 1145 CB TYR A 77 4.177 9.757 -1.807 1.00 0.00 C ATOM 1146 CG TYR A 77 5.525 10.366 -1.492 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.701 9.676 -1.759 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.623 11.631 -0.926 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.934 10.228 -1.473 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.852 12.192 -0.637 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.005 11.486 -0.912 1.00 0.00 C ATOM 1152 OH TYR A 77 9.231 12.040 -0.625 1.00 0.00 O ATOM 0 H TYR A 77 2.211 11.257 -3.117 1.00 0.00 H new ATOM 0 HA TYR A 77 4.677 9.820 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.417 10.241 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.189 8.704 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.650 8.691 -2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.722 12.186 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.838 9.678 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.910 13.177 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 77 9.338 12.875 -1.127 1.00 0.00 H new ATOM 1162 N ASP A 78 3.179 8.060 -4.768 1.00 0.00 N ATOM 1163 CA ASP A 78 2.381 6.936 -5.245 1.00 0.00 C ATOM 1164 C ASP A 78 2.423 5.780 -4.251 1.00 0.00 C ATOM 1165 O ASP A 78 3.387 5.015 -4.214 1.00 0.00 O ATOM 1166 CB ASP A 78 2.884 6.469 -6.611 1.00 0.00 C ATOM 1167 CG ASP A 78 2.281 5.142 -7.028 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.468 4.149 -6.294 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.621 5.097 -8.087 1.00 0.00 O ATOM 0 H ASP A 78 3.987 8.281 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 78 1.348 7.271 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.646 7.224 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.970 6.379 -6.583 1.00 0.00 H new ATOM 1174 N ILE A 79 1.372 5.659 -3.447 1.00 0.00 N ATOM 1175 CA ILE A 79 1.289 4.596 -2.453 1.00 0.00 C ATOM 1176 C ILE A 79 0.227 3.570 -2.834 1.00 0.00 C ATOM 1177 O ILE A 79 -0.890 3.925 -3.208 1.00 0.00 O ATOM 1178 CB ILE A 79 0.967 5.156 -1.055 1.00 0.00 C ATOM 1179 CG1 ILE A 79 1.966 6.253 -0.679 1.00 0.00 C ATOM 1180 CG2 ILE A 79 0.982 4.041 -0.021 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.386 7.313 0.231 1.00 0.00 C ATOM 0 H ILE A 79 0.566 6.284 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 79 2.266 4.113 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.032 5.592 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.827 5.797 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.332 6.728 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.753 4.453 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.236 3.291 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.969 3.578 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.150 8.057 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.543 7.796 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.046 6.851 1.158 1.00 0.00 H new ATOM 1193 N LYS A 80 0.584 2.293 -2.733 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.338 1.213 -3.063 1.00 0.00 C ATOM 1195 C LYS A 80 -0.274 0.105 -2.017 1.00 0.00 C ATOM 1196 O LYS A 80 0.439 0.219 -1.020 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.014 0.643 -4.446 1.00 0.00 C ATOM 1198 CG LYS A 80 1.469 0.647 -4.773 1.00 0.00 C ATOM 1199 CD LYS A 80 1.711 0.791 -6.266 1.00 0.00 C ATOM 1200 CE LYS A 80 1.159 -0.398 -7.037 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.626 -0.407 -8.451 1.00 0.00 N ATOM 0 H LYS A 80 1.505 1.982 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.349 1.621 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.388 -0.379 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.546 1.221 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.957 1.466 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.923 -0.278 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.243 1.708 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.780 0.884 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.466 -1.322 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.070 -0.371 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.228 -1.233 -8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.312 0.463 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.665 -0.458 -8.473 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.024 -0.968 -2.251 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.050 -2.098 -1.330 1.00 0.00 C ATOM 1217 C VAL A 81 -1.347 -3.400 -2.066 1.00 0.00 C ATOM 1218 O VAL A 81 -1.844 -3.389 -3.192 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.102 -1.896 -0.223 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.455 -2.428 -0.668 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.653 -2.567 1.066 1.00 0.00 C ATOM 0 H VAL A 81 -1.621 -1.078 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.061 -2.158 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.204 -0.828 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.185 -2.276 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.778 -1.897 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.373 -3.493 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.408 -2.415 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.521 -3.635 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.708 -2.133 1.392 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.039 -4.521 -1.422 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.273 -5.832 -2.016 1.00 0.00 C ATOM 1233 C ARG A 82 -1.445 -6.895 -0.935 1.00 0.00 C ATOM 1234 O ARG A 82 -0.684 -6.941 0.031 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.113 -6.211 -2.939 1.00 0.00 C ATOM 1236 CG ARG A 82 1.257 -5.991 -2.318 1.00 0.00 C ATOM 1237 CD ARG A 82 2.279 -6.978 -2.861 1.00 0.00 C ATOM 1238 NE ARG A 82 2.355 -6.940 -4.319 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.432 -7.302 -5.008 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.517 -7.726 -4.375 1.00 0.00 N ATOM 1241 NH2 ARG A 82 3.425 -7.239 -6.333 1.00 0.00 N ATOM 0 H ARG A 82 -0.627 -4.548 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.192 -5.780 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.211 -7.260 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.184 -5.627 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.590 -4.973 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.188 -6.095 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.259 -6.753 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.017 -7.986 -2.538 1.00 0.00 H new ATOM 0 HE ARG A 82 1.537 -6.618 -4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.527 -7.775 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.342 -8.003 -4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.593 -6.912 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.252 -7.517 -6.861 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.449 -7.748 -1.106 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.720 -8.811 -0.146 1.00 0.00 C ATOM 1257 C ALA A 83 -1.806 -10.009 -0.382 1.00 0.00 C ATOM 1258 O ALA A 83 -1.539 -10.382 -1.524 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.180 -9.235 -0.226 1.00 0.00 C ATOM 0 H ALA A 83 -3.088 -7.724 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.519 -8.425 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.368 -10.029 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.820 -8.381 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.399 -9.598 -1.230 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.330 -10.606 0.705 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.445 -11.762 0.615 1.00 0.00 C ATOM 1267 C TRP A 84 -1.096 -12.995 1.233 1.00 0.00 C ATOM 1268 O TRP A 84 -1.644 -12.935 2.334 1.00 0.00 O ATOM 1269 CB TRP A 84 0.884 -11.467 1.313 1.00 0.00 C ATOM 1270 CG TRP A 84 1.742 -10.490 0.569 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.437 -9.193 0.270 1.00 0.00 C ATOM 1272 CD2 TRP A 84 3.045 -10.733 0.027 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.471 -8.614 -0.424 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.470 -9.538 -0.586 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.894 -11.842 0.001 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.706 -9.424 -1.217 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 5.120 -11.728 -0.626 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.518 -10.526 -1.227 1.00 0.00 C ATOM 0 H TRP A 84 -1.542 -10.309 1.658 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.257 -11.964 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.683 -11.077 2.311 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.434 -12.399 1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.517 -8.695 0.540 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.492 -7.652 -0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.597 -12.772 0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 5.013 -8.499 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.783 -12.580 -0.653 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.484 -10.468 -1.707 1.00 0.00 H new ATOM 1289 N THR A 85 -1.032 -14.114 0.518 1.00 0.00 N ATOM 1290 CA THR A 85 -1.616 -15.361 0.996 1.00 0.00 C ATOM 1291 C THR A 85 -0.534 -16.340 1.438 1.00 0.00 C ATOM 1292 O THR A 85 0.632 -16.199 1.071 1.00 0.00 O ATOM 1293 CB THR A 85 -2.483 -16.027 -0.089 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.752 -16.114 -1.316 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.767 -15.242 -0.312 1.00 0.00 C ATOM 0 H THR A 85 -0.581 -14.182 -0.395 1.00 0.00 H new ATOM 0 HA THR A 85 -2.245 -15.109 1.850 1.00 0.00 H new ATOM 0 HB THR A 85 -2.743 -17.030 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.945 -16.971 -1.751 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.363 -15.731 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.336 -15.203 0.617 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.523 -14.229 -0.631 1.00 0.00 H new ATOM 1303 N SER A 86 -0.929 -17.334 2.227 1.00 0.00 N ATOM 1304 CA SER A 86 0.008 -18.336 2.722 1.00 0.00 C ATOM 1305 C SER A 86 0.889 -18.860 1.592 1.00 0.00 C ATOM 1306 O SER A 86 1.997 -19.344 1.825 1.00 0.00 O ATOM 1307 CB SER A 86 -0.749 -19.495 3.374 1.00 0.00 C ATOM 1308 OG SER A 86 -1.509 -20.210 2.416 1.00 0.00 O ATOM 0 H SER A 86 -1.892 -17.467 2.537 1.00 0.00 H new ATOM 0 HA SER A 86 0.647 -17.864 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.042 -20.169 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.408 -19.111 4.153 1.00 0.00 H new ATOM 0 HG SER A 86 -1.982 -20.946 2.857 1.00 0.00 H new ATOM 1314 N LYS A 87 0.388 -18.761 0.365 1.00 0.00 N ATOM 1315 CA LYS A 87 1.127 -19.224 -0.803 1.00 0.00 C ATOM 1316 C LYS A 87 2.163 -18.191 -1.236 1.00 0.00 C ATOM 1317 O LYS A 87 3.359 -18.475 -1.273 1.00 0.00 O ATOM 1318 CB LYS A 87 0.167 -19.513 -1.959 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.622 -20.800 -1.787 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.939 -20.555 -1.070 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.894 -21.727 -1.243 1.00 0.00 C ATOM 1322 NZ LYS A 87 -4.262 -21.404 -0.752 1.00 0.00 N ATOM 0 H LYS A 87 -0.528 -18.364 0.154 1.00 0.00 H new ATOM 0 HA LYS A 87 1.646 -20.143 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.529 -18.680 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.735 -19.566 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.816 -21.243 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.028 -21.519 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.752 -20.390 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.402 -19.647 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.942 -22.004 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.509 -22.592 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.883 -22.227 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.220 -21.164 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.640 -20.595 -1.285 1.00 0.00 H new ATOM 1336 N GLY A 88 1.694 -16.989 -1.560 1.00 0.00 N ATOM 1337 CA GLY A 88 2.594 -15.932 -1.984 1.00 0.00 C ATOM 1338 C GLY A 88 1.909 -14.581 -2.052 1.00 0.00 C ATOM 1339 O GLY A 88 1.215 -14.182 -1.117 1.00 0.00 O ATOM 0 H GLY A 88 0.708 -16.729 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.435 -15.875 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.003 -16.178 -2.964 1.00 0.00 H new ATOM 1343 N SER A 89 2.106 -13.875 -3.160 1.00 0.00 N ATOM 1344 CA SER A 89 1.507 -12.558 -3.344 1.00 0.00 C ATOM 1345 C SER A 89 0.642 -12.525 -4.600 1.00 0.00 C ATOM 1346 O SER A 89 0.640 -13.468 -5.391 1.00 0.00 O ATOM 1347 CB SER A 89 2.596 -11.487 -3.432 1.00 0.00 C ATOM 1348 OG SER A 89 2.030 -10.190 -3.516 1.00 0.00 O ATOM 0 H SER A 89 2.676 -14.192 -3.944 1.00 0.00 H new ATOM 0 HA SER A 89 0.873 -12.351 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.243 -11.549 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.222 -11.671 -4.305 1.00 0.00 H new ATOM 0 HG SER A 89 2.437 -9.703 -4.263 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.092 -11.431 -4.777 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.952 -11.294 -5.938 1.00 0.00 C ATOM 1356 C GLY A 90 -0.747 -9.977 -6.659 1.00 0.00 C ATOM 1357 O GLY A 90 0.376 -9.496 -6.811 1.00 0.00 O ATOM 0 H GLY A 90 -0.107 -10.637 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.760 -12.116 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.993 -11.376 -5.627 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.852 -9.372 -7.120 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.814 -8.094 -7.838 1.00 0.00 C ATOM 1363 C PRO A 91 -1.437 -6.929 -6.929 1.00 0.00 C ATOM 1364 O PRO A 91 -1.178 -7.115 -5.739 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.248 -7.932 -8.349 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.079 -8.728 -7.403 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.223 -9.888 -6.975 1.00 0.00 C ATOM 0 HA PRO A 91 -1.063 -8.092 -8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.550 -6.885 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.348 -8.300 -9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.378 -8.126 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.994 -9.075 -7.884 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.434 -10.185 -5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.391 -10.764 -7.601 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.407 -5.729 -7.496 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.061 -4.532 -6.736 1.00 0.00 C ATOM 1377 C LEU A 92 -2.164 -3.484 -6.841 1.00 0.00 C ATOM 1378 O LEU A 92 -2.481 -3.007 -7.931 1.00 0.00 O ATOM 1379 CB LEU A 92 0.261 -3.950 -7.238 1.00 0.00 C ATOM 1380 CG LEU A 92 1.524 -4.449 -6.535 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.745 -4.236 -7.417 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.702 -3.748 -5.196 1.00 0.00 C ATOM 0 H LEU A 92 -1.618 -5.558 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.952 -4.814 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.351 -4.169 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.218 -2.865 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 92 1.416 -5.518 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.634 -4.597 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.620 -4.785 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.857 -3.173 -7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.606 -4.116 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.788 -2.673 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.840 -3.952 -4.561 1.00 0.00 H new ATOM 1394 N SER A 93 -2.744 -3.127 -5.699 1.00 0.00 N ATOM 1395 CA SER A 93 -3.813 -2.135 -5.662 1.00 0.00 C ATOM 1396 C SER A 93 -3.399 -0.863 -6.395 1.00 0.00 C ATOM 1397 O SER A 93 -2.216 -0.550 -6.530 1.00 0.00 O ATOM 1398 CB SER A 93 -4.182 -1.806 -4.215 1.00 0.00 C ATOM 1399 OG SER A 93 -3.330 -0.805 -3.686 1.00 0.00 O ATOM 0 H SER A 93 -2.492 -3.510 -4.788 1.00 0.00 H new ATOM 0 HA SER A 93 -4.684 -2.556 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.217 -1.468 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.112 -2.707 -3.605 1.00 0.00 H new ATOM 0 HG SER A 93 -3.557 0.061 -4.084 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.397 -0.110 -6.881 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.162 1.141 -7.609 1.00 0.00 C ATOM 1407 C PRO A 94 -3.637 2.249 -6.702 1.00 0.00 C ATOM 1408 O PRO A 94 -4.317 2.675 -5.768 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.549 1.504 -8.147 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.503 0.845 -7.211 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.831 -0.421 -6.758 1.00 0.00 C ATOM 0 HA PRO A 94 -3.405 1.025 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.696 2.584 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.684 1.145 -9.167 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.728 1.492 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.449 0.629 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.101 -0.674 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.113 -1.270 -7.381 1.00 0.00 H new ATOM 1419 N SER A 95 -2.423 2.712 -6.984 1.00 0.00 N ATOM 1420 CA SER A 95 -1.806 3.769 -6.191 1.00 0.00 C ATOM 1421 C SER A 95 -2.773 4.931 -5.986 1.00 0.00 C ATOM 1422 O SER A 95 -3.677 5.150 -6.794 1.00 0.00 O ATOM 1423 CB SER A 95 -0.529 4.267 -6.873 1.00 0.00 C ATOM 1424 OG SER A 95 -0.599 4.091 -8.277 1.00 0.00 O ATOM 0 H SER A 95 -1.848 2.372 -7.755 1.00 0.00 H new ATOM 0 HA SER A 95 -1.552 3.356 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.378 5.322 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.332 3.728 -6.478 1.00 0.00 H new ATOM 0 HG SER A 95 0.192 4.489 -8.696 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.576 5.672 -4.901 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.430 6.812 -4.590 1.00 0.00 C ATOM 1432 C ILE A 96 -2.688 8.128 -4.801 1.00 0.00 C ATOM 1433 O ILE A 96 -3.300 9.159 -5.076 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.943 6.751 -3.140 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.805 6.382 -2.187 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.084 5.752 -3.024 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.235 6.285 -0.740 1.00 0.00 C ATOM 0 H ILE A 96 -1.833 5.504 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.281 6.765 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.318 7.736 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.379 5.427 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.014 7.127 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.436 5.720 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.902 6.056 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.733 4.763 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.377 6.020 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.634 7.245 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.004 5.520 -0.640 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.366 8.082 -4.671 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.540 9.271 -4.848 1.00 0.00 C ATOM 1451 C GLN A 97 -0.865 10.322 -3.791 1.00 0.00 C ATOM 1452 O GLN A 97 -1.149 11.475 -4.114 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.745 9.857 -6.246 1.00 0.00 C ATOM 1454 CG GLN A 97 0.194 9.278 -7.292 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.428 9.234 -8.674 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.851 10.258 -9.210 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.487 8.043 -9.258 1.00 0.00 N ATOM 0 H GLN A 97 -0.844 7.235 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 97 0.504 8.978 -4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.775 9.681 -6.557 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.605 10.937 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.105 9.875 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.484 8.270 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.124 7.220 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.895 7.951 -10.188 1.00 0.00 H new ATOM 1466 N SER A 98 -0.821 9.915 -2.526 1.00 0.00 N ATOM 1467 CA SER A 98 -1.115 10.820 -1.421 1.00 0.00 C ATOM 1468 C SER A 98 0.023 11.815 -1.217 1.00 0.00 C ATOM 1469 O SER A 98 1.082 11.465 -0.696 1.00 0.00 O ATOM 1470 CB SER A 98 -1.352 10.028 -0.134 1.00 0.00 C ATOM 1471 OG SER A 98 -2.099 10.786 0.801 1.00 0.00 O ATOM 0 H SER A 98 -0.585 8.965 -2.241 1.00 0.00 H new ATOM 0 HA SER A 98 -2.020 11.375 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.882 9.104 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.395 9.745 0.304 1.00 0.00 H new ATOM 0 HG SER A 98 -1.742 10.638 1.702 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.204 13.057 -1.632 1.00 0.00 N ATOM 1478 CA ARG A 99 0.802 14.104 -1.496 1.00 0.00 C ATOM 1479 C ARG A 99 0.875 14.605 -0.057 1.00 0.00 C ATOM 1480 O ARG A 99 -0.065 15.221 0.446 1.00 0.00 O ATOM 1481 CB ARG A 99 0.488 15.268 -2.438 1.00 0.00 C ATOM 1482 CG ARG A 99 1.453 16.435 -2.307 1.00 0.00 C ATOM 1483 CD ARG A 99 1.228 17.469 -3.399 1.00 0.00 C ATOM 1484 NE ARG A 99 -0.024 18.197 -3.214 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.671 18.809 -4.199 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.187 18.780 -5.433 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.805 19.451 -3.951 1.00 0.00 N ATOM 0 H ARG A 99 -1.075 13.363 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 99 1.770 13.680 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.505 14.907 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.524 15.621 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.329 16.903 -1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.478 16.068 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.059 18.174 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.220 16.974 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.424 18.238 -2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.684 18.287 -5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.686 19.251 -6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.181 19.475 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.301 19.921 -4.708 1.00 0.00 H new ATOM 1501 N THR A 100 1.998 14.336 0.602 1.00 0.00 N ATOM 1502 CA THR A 100 2.193 14.757 1.983 1.00 0.00 C ATOM 1503 C THR A 100 1.757 16.204 2.184 1.00 0.00 C ATOM 1504 O THR A 100 1.794 17.008 1.253 1.00 0.00 O ATOM 1505 CB THR A 100 3.666 14.613 2.412 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.493 15.473 1.620 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.134 13.173 2.264 1.00 0.00 C ATOM 0 H THR A 100 2.786 13.828 0.201 1.00 0.00 H new ATOM 0 HA THR A 100 1.576 14.105 2.602 1.00 0.00 H new ATOM 0 HB THR A 100 3.746 14.898 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.326 15.009 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.177 13.096 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.521 12.525 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.040 12.865 1.223 1.00 0.00 H new ATOM 1515 N MET A 101 1.344 16.529 3.405 1.00 0.00 N ATOM 1516 CA MET A 101 0.903 17.881 3.727 1.00 0.00 C ATOM 1517 C MET A 101 2.050 18.876 3.587 1.00 0.00 C ATOM 1518 O MET A 101 3.196 18.592 3.938 1.00 0.00 O ATOM 1519 CB MET A 101 0.339 17.931 5.148 1.00 0.00 C ATOM 1520 CG MET A 101 1.395 18.178 6.213 1.00 0.00 C ATOM 1521 SD MET A 101 0.683 18.491 7.839 1.00 0.00 S ATOM 1522 CE MET A 101 -0.292 17.007 8.073 1.00 0.00 C ATOM 0 H MET A 101 1.306 15.875 4.187 1.00 0.00 H new ATOM 0 HA MET A 101 0.119 18.158 3.022 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.413 18.718 5.204 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.168 16.990 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.056 17.313 6.271 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.009 19.030 5.920 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.352 17.253 8.002 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.036 16.278 7.304 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.082 16.585 9.056 1.00 0.00 H new ATOM 1532 N PRO A 102 1.739 20.070 3.063 1.00 0.00 N ATOM 1533 CA PRO A 102 2.731 21.131 2.865 1.00 0.00 C ATOM 1534 C PRO A 102 3.214 21.726 4.183 1.00 0.00 C ATOM 1535 O PRO A 102 2.605 22.654 4.716 1.00 0.00 O ATOM 1536 CB PRO A 102 1.971 22.181 2.051 1.00 0.00 C ATOM 1537 CG PRO A 102 0.537 21.956 2.387 1.00 0.00 C ATOM 1538 CD PRO A 102 0.394 20.477 2.622 1.00 0.00 C ATOM 0 HA PRO A 102 3.631 20.761 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.286 23.191 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.151 22.060 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.251 22.522 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.111 22.287 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.360 20.261 3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.093 19.953 1.715 1.00 0.00 H new ATOM 1546 N VAL A 103 4.311 21.187 4.705 1.00 0.00 N ATOM 1547 CA VAL A 103 4.876 21.666 5.960 1.00 0.00 C ATOM 1548 C VAL A 103 4.820 23.187 6.043 1.00 0.00 C ATOM 1549 O VAL A 103 4.451 23.750 7.075 1.00 0.00 O ATOM 1550 CB VAL A 103 6.337 21.208 6.130 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.216 21.815 5.047 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.852 21.573 7.514 1.00 0.00 C ATOM 0 H VAL A 103 4.826 20.418 4.277 1.00 0.00 H new ATOM 0 HA VAL A 103 4.273 21.238 6.761 1.00 0.00 H new ATOM 0 HB VAL A 103 6.374 20.123 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.244 21.480 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.858 21.498 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.176 22.902 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.885 21.242 7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.802 22.654 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.238 21.085 8.271 1.00 0.00 H new TER 1562 VAL A 103