USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 693 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 76 THR OG1 : rot 180:sc= -0.324 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.997 K(o=-2,f=-5.8) USER MOD Set 1.3: A 79 ASN : amide:sc= -0.643 X(o=-2,f=-2.1) USER MOD Set 2.1: A 59 ASN : amide:sc= -4.02 K(o=-12,f=-22!) USER MOD Set 2.2: A 62 GLN : amide:sc= -8.34! C(o=-12!,f=-21!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.13) USER MOD Single : A 5 GLN : amide:sc= -0.723 X(o=-0.72,f=-1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.481 F(o=-2.3,f=-0.48) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.89 F(o=-3.9!,f=-1.9) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.0379 F(o=-0.78,f=-0.038) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.255 K(o=0.26,f=-0.81) USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -5.46! C(o=-5.5!,f=-24!) USER MOD Single : A 29 MET CE :methyl 170:sc= -0.133 (180deg=-0.299) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.38) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -3.01 F(o=-5.6!,f=-3) USER MOD Single : A 71 GLN : amide:sc= -6.54! C(o=-6.5!,f=-8.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 146:sc= -2.26 (180deg=-7.97!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -41:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.224 -2.412 14.861 1.00 0.00 N ATOM 2 CA MET A 1 -10.535 -2.311 13.408 1.00 0.00 C ATOM 3 C MET A 1 -12.009 -2.574 13.145 1.00 0.00 C ATOM 4 O MET A 1 -12.589 -3.490 13.671 1.00 0.00 O ATOM 5 CB MET A 1 -9.730 -3.412 12.694 1.00 0.00 C ATOM 6 CG MET A 1 -8.251 -3.087 12.639 1.00 0.00 C ATOM 7 SD MET A 1 -7.339 -4.619 12.951 1.00 0.00 S ATOM 8 CE MET A 1 -6.611 -4.747 11.299 1.00 0.00 C ATOM 0 H1 MET A 1 -9.316 -1.943 15.055 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.977 -1.950 15.410 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.161 -3.414 15.134 1.00 0.00 H new ATOM 0 HA MET A 1 -10.286 -1.311 13.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.874 -4.360 13.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.111 -3.541 11.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.986 -2.676 11.665 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.997 -2.332 13.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.988 -5.640 11.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.405 -4.813 10.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.001 -3.866 11.101 1.00 0.00 H new ATOM 20 N ALA A 2 -12.587 -1.742 12.316 1.00 0.00 N ATOM 21 CA ALA A 2 -14.032 -1.912 11.995 1.00 0.00 C ATOM 22 C ALA A 2 -14.235 -3.217 11.202 1.00 0.00 C ATOM 23 O ALA A 2 -14.952 -4.063 11.722 1.00 0.00 O ATOM 24 CB ALA A 2 -14.557 -0.727 11.173 1.00 0.00 C ATOM 0 H ALA A 2 -12.124 -0.960 11.853 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.588 -1.956 12.931 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.614 -0.877 10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.432 0.194 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.998 -0.656 10.240 1.00 0.00 H new ATOM 30 N PRO A 3 -13.646 -3.335 10.055 1.00 0.00 N ATOM 31 CA PRO A 3 -13.685 -4.461 9.129 1.00 0.00 C ATOM 32 C PRO A 3 -13.981 -5.809 9.777 1.00 0.00 C ATOM 33 O PRO A 3 -13.061 -6.540 10.118 1.00 0.00 O ATOM 34 CB PRO A 3 -12.295 -4.557 8.462 1.00 0.00 C ATOM 35 CG PRO A 3 -11.921 -3.070 8.321 1.00 0.00 C ATOM 36 CD PRO A 3 -12.775 -2.342 9.397 1.00 0.00 C ATOM 0 HA PRO A 3 -14.499 -4.267 8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.581 -5.103 9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.337 -5.063 7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.856 -2.912 8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.145 -2.699 7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.129 -1.860 10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.376 -1.557 8.937 1.00 0.00 H new ATOM 44 N ALA A 4 -15.227 -6.146 9.947 1.00 0.00 N ATOM 45 CA ALA A 4 -15.486 -7.478 10.584 1.00 0.00 C ATOM 46 C ALA A 4 -16.878 -7.904 10.119 1.00 0.00 C ATOM 47 O ALA A 4 -17.769 -8.207 10.887 1.00 0.00 O ATOM 48 CB ALA A 4 -15.473 -7.344 12.102 1.00 0.00 C ATOM 0 H ALA A 4 -16.045 -5.594 9.690 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.724 -8.206 10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.662 -8.317 12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.500 -6.976 12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.248 -6.643 12.412 1.00 0.00 H new ATOM 54 N GLN A 5 -17.070 -7.931 8.822 1.00 0.00 N ATOM 55 CA GLN A 5 -18.397 -8.332 8.267 1.00 0.00 C ATOM 56 C GLN A 5 -18.237 -9.036 6.930 1.00 0.00 C ATOM 57 O GLN A 5 -17.218 -8.852 6.296 1.00 0.00 O ATOM 58 CB GLN A 5 -19.262 -7.085 8.033 1.00 0.00 C ATOM 59 CG GLN A 5 -20.553 -7.171 8.829 1.00 0.00 C ATOM 60 CD GLN A 5 -20.319 -7.038 10.341 1.00 0.00 C ATOM 61 OE1 GLN A 5 -20.461 -8.009 11.056 1.00 0.00 O ATOM 62 NE2 GLN A 5 -19.971 -5.880 10.813 1.00 0.00 N ATOM 0 H GLN A 5 -16.364 -7.692 8.126 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.866 -9.004 8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.708 -6.192 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.489 -6.988 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -21.233 -6.386 8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -21.041 -8.123 8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.861 -5.085 10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.808 -5.765 11.813 1.00 0.00 H new ATOM 71 N PRO A 6 -19.193 -9.819 6.496 1.00 0.00 N ATOM 72 CA PRO A 6 -19.166 -10.553 5.231 1.00 0.00 C ATOM 73 C PRO A 6 -19.315 -9.520 4.092 1.00 0.00 C ATOM 74 O PRO A 6 -20.181 -8.674 4.089 1.00 0.00 O ATOM 75 CB PRO A 6 -20.310 -11.555 5.235 1.00 0.00 C ATOM 76 CG PRO A 6 -20.863 -11.500 6.689 1.00 0.00 C ATOM 77 CD PRO A 6 -20.467 -10.097 7.207 1.00 0.00 C ATOM 0 HA PRO A 6 -18.235 -11.102 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -21.076 -11.287 4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -19.963 -12.556 4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -21.944 -11.638 6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.431 -12.287 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -21.228 -9.352 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.334 -10.090 8.289 1.00 0.00 H new ATOM 85 N LEU A 7 -18.463 -9.588 3.104 1.00 0.00 N ATOM 86 CA LEU A 7 -18.515 -8.652 1.963 1.00 0.00 C ATOM 87 C LEU A 7 -18.281 -7.207 2.409 1.00 0.00 C ATOM 88 O LEU A 7 -19.171 -6.379 2.358 1.00 0.00 O ATOM 89 CB LEU A 7 -19.883 -8.758 1.243 1.00 0.00 C ATOM 90 CG LEU A 7 -19.718 -8.338 -0.205 1.00 0.00 C ATOM 91 CD1 LEU A 7 -19.026 -9.422 -1.029 1.00 0.00 C ATOM 92 CD2 LEU A 7 -21.083 -8.077 -0.871 1.00 0.00 C ATOM 0 H LEU A 7 -17.714 -10.278 3.047 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.717 -8.930 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.258 -9.780 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.618 -8.122 1.737 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.116 -7.429 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.925 -9.086 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.038 -9.620 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -19.621 -10.335 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.931 -7.778 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -21.683 -8.987 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -21.602 -7.282 -0.337 1.00 0.00 H new ATOM 104 N SER A 8 -17.093 -6.860 2.855 1.00 0.00 N ATOM 105 CA SER A 8 -16.887 -5.440 3.288 1.00 0.00 C ATOM 106 C SER A 8 -16.828 -4.594 2.000 1.00 0.00 C ATOM 107 O SER A 8 -16.843 -3.394 2.102 1.00 0.00 O ATOM 108 CB SER A 8 -15.612 -5.267 4.097 1.00 0.00 C ATOM 109 OG SER A 8 -15.939 -4.955 5.457 1.00 0.00 O ATOM 0 H SER A 8 -16.284 -7.475 2.936 1.00 0.00 H new ATOM 0 HA SER A 8 -17.702 -5.126 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.018 -6.180 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.003 -4.471 3.668 1.00 0.00 H new ATOM 0 HG SER A 8 -15.114 -4.846 5.975 1.00 0.00 H new ATOM 115 N GLU A 9 -16.768 -5.238 0.880 1.00 0.00 N ATOM 116 CA GLU A 9 -16.707 -4.563 -0.456 1.00 0.00 C ATOM 117 C GLU A 9 -15.275 -3.992 -0.551 1.00 0.00 C ATOM 118 O GLU A 9 -14.422 -4.721 -1.015 1.00 0.00 O ATOM 119 CB GLU A 9 -17.767 -3.496 -0.626 1.00 0.00 C ATOM 120 CG GLU A 9 -19.155 -4.163 -0.515 1.00 0.00 C ATOM 121 CD GLU A 9 -20.193 -3.045 -0.516 1.00 0.00 C ATOM 122 OE1 GLU A 9 -19.847 -1.958 -0.959 1.00 0.00 O ATOM 123 OE2 GLU A 9 -21.323 -3.225 -0.095 1.00 0.00 O ATOM 0 H GLU A 9 -16.758 -6.256 0.824 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.916 -5.265 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.655 -2.726 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.659 -3.005 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.322 -4.844 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.226 -4.754 0.398 1.00 0.00 H new ATOM 130 N ASN A 10 -15.088 -2.784 -0.128 1.00 0.00 N ATOM 131 CA ASN A 10 -13.764 -2.084 -0.149 1.00 0.00 C ATOM 132 C ASN A 10 -13.159 -2.336 -1.544 1.00 0.00 C ATOM 133 O ASN A 10 -12.182 -3.058 -1.654 1.00 0.00 O ATOM 134 CB ASN A 10 -12.898 -2.644 0.965 1.00 0.00 C ATOM 135 CG ASN A 10 -11.525 -1.965 0.869 1.00 0.00 C ATOM 136 OD1 ASN A 10 -11.316 -0.900 0.161 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -10.600 -2.449 1.475 1.00 0.00 N flip ATOM 0 H ASN A 10 -15.840 -2.212 0.256 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.849 -1.011 0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.353 -2.453 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.799 -3.725 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.742 -3.287 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.676 -2.020 1.424 1.00 0.00 H new ATOM 144 N PRO A 11 -13.760 -1.746 -2.525 1.00 0.00 N ATOM 145 CA PRO A 11 -13.368 -1.842 -3.949 1.00 0.00 C ATOM 146 C PRO A 11 -11.872 -1.519 -4.036 1.00 0.00 C ATOM 147 O PRO A 11 -11.335 -0.770 -3.227 1.00 0.00 O ATOM 148 CB PRO A 11 -14.226 -0.781 -4.643 1.00 0.00 C ATOM 149 CG PRO A 11 -15.459 -0.488 -3.754 1.00 0.00 C ATOM 150 CD PRO A 11 -14.950 -0.876 -2.361 1.00 0.00 C ATOM 0 HA PRO A 11 -13.520 -2.820 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.648 0.130 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.542 -1.132 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.756 0.560 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.325 -1.079 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.693 0.015 -1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.728 -1.398 -1.804 1.00 0.00 H new ATOM 158 N PRO A 12 -11.268 -2.103 -5.018 1.00 0.00 N ATOM 159 CA PRO A 12 -9.833 -1.942 -5.300 1.00 0.00 C ATOM 160 C PRO A 12 -9.537 -0.488 -5.695 1.00 0.00 C ATOM 161 O PRO A 12 -9.568 -0.102 -6.851 1.00 0.00 O ATOM 162 CB PRO A 12 -9.514 -2.899 -6.446 1.00 0.00 C ATOM 163 CG PRO A 12 -10.888 -3.096 -7.146 1.00 0.00 C ATOM 164 CD PRO A 12 -11.906 -2.999 -5.986 1.00 0.00 C ATOM 0 HA PRO A 12 -9.220 -2.167 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.773 -2.478 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.111 -3.843 -6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.067 -2.330 -7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.946 -4.060 -7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.861 -2.600 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.107 -3.978 -5.550 1.00 0.00 H new ATOM 172 N ASN A 13 -9.245 0.339 -4.736 1.00 0.00 N ATOM 173 CA ASN A 13 -8.955 1.754 -5.082 1.00 0.00 C ATOM 174 C ASN A 13 -7.563 1.930 -5.729 1.00 0.00 C ATOM 175 O ASN A 13 -6.757 1.008 -5.796 1.00 0.00 O ATOM 176 CB ASN A 13 -9.064 2.586 -3.779 1.00 0.00 C ATOM 177 CG ASN A 13 -10.533 2.661 -3.390 1.00 0.00 C ATOM 178 OD1 ASN A 13 -10.913 2.123 -2.274 1.00 0.00 O flip ATOM 179 ND2 ASN A 13 -11.355 3.215 -4.109 1.00 0.00 N flip ATOM 0 H ASN A 13 -9.195 0.104 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.676 2.096 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.482 2.124 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.658 3.586 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.060 3.640 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.335 3.252 -3.829 1.00 0.00 H new ATOM 186 N HIS A 14 -7.346 3.121 -6.177 1.00 0.00 N ATOM 187 CA HIS A 14 -6.034 3.476 -6.836 1.00 0.00 C ATOM 188 C HIS A 14 -5.248 4.343 -5.819 1.00 0.00 C ATOM 189 O HIS A 14 -4.409 5.163 -6.127 1.00 0.00 O ATOM 190 CB HIS A 14 -6.252 4.312 -8.096 1.00 0.00 C ATOM 191 CG HIS A 14 -7.641 4.858 -8.216 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.369 5.755 -7.480 1.00 0.00 N flip ATOM 193 CD2 HIS A 14 -8.520 4.478 -9.239 1.00 0.00 C flip ATOM 194 CE1 HIS A 14 -9.664 5.979 -7.963 1.00 0.00 C flip ATOM 195 NE2 HIS A 14 -9.664 5.167 -9.029 1.00 0.00 N flip ATOM 0 H HIS A 14 -8.018 3.887 -6.123 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.506 2.564 -7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.543 5.140 -8.101 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.034 3.700 -8.971 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.323 3.776 -10.035 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.443 6.624 -7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.474 5.075 -9.642 1.00 0.00 H new ATOM 204 N ILE A 15 -5.512 4.183 -4.533 1.00 0.00 N ATOM 205 CA ILE A 15 -4.844 4.973 -3.460 1.00 0.00 C ATOM 206 C ILE A 15 -4.757 3.996 -2.262 1.00 0.00 C ATOM 207 O ILE A 15 -5.734 3.623 -1.675 1.00 0.00 O ATOM 208 CB ILE A 15 -5.545 6.267 -3.050 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.994 7.404 -3.941 1.00 0.00 C ATOM 210 CG2 ILE A 15 -5.171 6.614 -1.618 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.686 8.725 -3.679 1.00 0.00 C ATOM 0 H ILE A 15 -6.191 3.508 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.880 5.329 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.624 6.148 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.924 7.515 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.117 7.133 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.671 7.537 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.482 5.807 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.092 6.747 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.264 9.492 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.752 8.624 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.540 9.012 -2.638 1.00 0.00 H new ATOM 223 N LEU A 16 -3.548 3.621 -1.931 1.00 0.00 N ATOM 224 CA LEU A 16 -3.299 2.687 -0.787 1.00 0.00 C ATOM 225 C LEU A 16 -2.355 3.381 0.239 1.00 0.00 C ATOM 226 O LEU A 16 -1.196 3.651 0.015 1.00 0.00 O ATOM 227 CB LEU A 16 -2.599 1.486 -1.387 1.00 0.00 C ATOM 228 CG LEU A 16 -3.559 0.783 -2.373 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.174 1.076 -3.808 1.00 0.00 C ATOM 230 CD2 LEU A 16 -3.414 -0.705 -2.113 1.00 0.00 C ATOM 0 H LEU A 16 -2.704 3.929 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.219 2.405 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.692 1.799 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.296 0.795 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.581 1.133 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.866 0.569 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.218 2.151 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.161 0.719 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.072 -1.257 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.381 -1.006 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.685 -0.922 -1.080 1.00 0.00 H new ATOM 242 N PHE A 17 -2.997 3.671 1.377 1.00 0.00 N ATOM 243 CA PHE A 17 -2.461 4.408 2.510 1.00 0.00 C ATOM 244 C PHE A 17 -2.601 3.471 3.731 1.00 0.00 C ATOM 245 O PHE A 17 -3.637 2.914 3.865 1.00 0.00 O ATOM 246 CB PHE A 17 -3.130 5.737 2.810 1.00 0.00 C ATOM 247 CG PHE A 17 -2.788 6.059 4.257 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.464 6.199 4.691 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.824 6.219 5.167 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.182 6.505 6.035 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.546 6.525 6.520 1.00 0.00 C ATOM 252 CZ PHE A 17 -2.213 6.667 6.947 1.00 0.00 C ATOM 0 H PHE A 17 -3.961 3.377 1.533 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.433 4.679 2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.767 6.517 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.209 5.672 2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.653 6.071 3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.848 6.109 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.157 6.614 6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.356 6.649 7.224 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.995 6.901 7.979 1.00 0.00 H new ATOM 262 N LEU A 18 -1.520 3.337 4.398 1.00 0.00 N ATOM 263 CA LEU A 18 -1.490 2.500 5.566 1.00 0.00 C ATOM 264 C LEU A 18 -0.033 2.411 5.943 1.00 0.00 C ATOM 265 O LEU A 18 0.807 3.079 5.373 1.00 0.00 O ATOM 266 CB LEU A 18 -2.332 1.263 5.663 1.00 0.00 C ATOM 267 CG LEU A 18 -2.824 1.055 7.119 1.00 0.00 C ATOM 268 CD1 LEU A 18 -4.146 1.838 7.294 1.00 0.00 C ATOM 269 CD2 LEU A 18 -3.153 -0.392 7.419 1.00 0.00 C ATOM 0 H LEU A 18 -0.636 3.790 4.168 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.090 2.971 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.187 1.344 4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.755 0.397 5.340 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.026 1.388 7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.514 1.708 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.970 2.897 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.888 1.462 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.492 -0.482 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.941 -0.733 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.263 -1.005 7.275 1.00 0.00 H new ATOM 281 N THR A 19 0.183 1.709 6.938 1.00 0.00 N ATOM 282 CA THR A 19 1.486 1.595 7.522 1.00 0.00 C ATOM 283 C THR A 19 1.676 0.149 7.911 1.00 0.00 C ATOM 284 O THR A 19 0.885 -0.761 7.700 1.00 0.00 O ATOM 285 CB THR A 19 1.435 2.376 8.866 1.00 0.00 C ATOM 286 OG1 THR A 19 0.723 1.510 9.764 1.00 0.00 O ATOM 287 CG2 THR A 19 0.635 3.657 8.758 1.00 0.00 C ATOM 0 H THR A 19 -0.537 1.165 7.414 1.00 0.00 H new ATOM 0 HA THR A 19 2.261 1.952 6.844 1.00 0.00 H new ATOM 0 HB THR A 19 2.444 2.640 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.651 1.938 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.630 4.165 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.087 4.306 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.389 3.423 8.466 1.00 0.00 H new ATOM 295 N ASN A 20 2.764 -0.052 8.424 1.00 0.00 N ATOM 296 CA ASN A 20 3.267 -1.375 8.953 1.00 0.00 C ATOM 297 C ASN A 20 4.430 -1.881 8.093 1.00 0.00 C ATOM 298 O ASN A 20 4.664 -3.061 8.084 1.00 0.00 O ATOM 299 CB ASN A 20 2.175 -2.396 9.170 1.00 0.00 C ATOM 300 CG ASN A 20 2.661 -3.402 10.242 1.00 0.00 C ATOM 301 OD1 ASN A 20 2.215 -3.334 11.374 1.00 0.00 O ATOM 302 ND2 ASN A 20 3.535 -4.326 9.958 1.00 0.00 N ATOM 0 H ASN A 20 3.448 0.696 8.539 1.00 0.00 H new ATOM 0 HA ASN A 20 3.655 -1.204 9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.257 -1.907 9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.948 -2.914 8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.837 -4.981 10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.917 -4.394 9.015 1.00 0.00 H new ATOM 309 N LEU A 21 5.111 -0.984 7.422 1.00 0.00 N ATOM 310 CA LEU A 21 6.258 -1.384 6.542 1.00 0.00 C ATOM 311 C LEU A 21 7.522 -0.602 6.841 1.00 0.00 C ATOM 312 O LEU A 21 7.956 0.277 6.135 1.00 0.00 O ATOM 313 CB LEU A 21 5.835 -1.294 5.078 1.00 0.00 C ATOM 314 CG LEU A 21 5.765 0.119 4.543 1.00 0.00 C ATOM 315 CD1 LEU A 21 4.787 0.163 3.348 1.00 0.00 C ATOM 316 CD2 LEU A 21 5.245 1.128 5.552 1.00 0.00 C ATOM 0 H LEU A 21 4.921 0.018 7.446 1.00 0.00 H new ATOM 0 HA LEU A 21 6.514 -2.421 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.537 -1.867 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.858 -1.764 4.963 1.00 0.00 H new ATOM 0 HG LEU A 21 6.787 0.385 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.733 1.180 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.140 -0.507 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.797 -0.153 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.223 2.119 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.238 0.848 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.901 1.143 6.423 1.00 0.00 H new ATOM 328 N PRO A 22 8.141 -0.944 7.938 1.00 0.00 N ATOM 329 CA PRO A 22 9.375 -0.378 8.456 1.00 0.00 C ATOM 330 C PRO A 22 10.467 -1.445 8.719 1.00 0.00 C ATOM 331 O PRO A 22 10.415 -2.522 8.185 1.00 0.00 O ATOM 332 CB PRO A 22 8.713 0.070 9.779 1.00 0.00 C ATOM 333 CG PRO A 22 8.118 -1.286 10.265 1.00 0.00 C ATOM 334 CD PRO A 22 7.758 -1.963 8.911 1.00 0.00 C ATOM 0 HA PRO A 22 9.903 0.349 7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.433 0.484 10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.946 0.829 9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.839 -1.870 10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.243 -1.147 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.308 -2.893 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.697 -2.206 8.848 1.00 0.00 H new ATOM 342 N GLU A 23 11.396 -1.045 9.542 1.00 0.00 N ATOM 343 CA GLU A 23 12.536 -1.895 9.980 1.00 0.00 C ATOM 344 C GLU A 23 13.738 -1.757 9.042 1.00 0.00 C ATOM 345 O GLU A 23 14.849 -1.700 9.500 1.00 0.00 O ATOM 346 CB GLU A 23 12.118 -3.363 10.165 1.00 0.00 C ATOM 347 CG GLU A 23 10.775 -3.472 10.908 1.00 0.00 C ATOM 348 CD GLU A 23 10.623 -4.932 11.383 1.00 0.00 C ATOM 349 OE1 GLU A 23 11.426 -5.722 10.941 1.00 0.00 O ATOM 350 OE2 GLU A 23 9.698 -5.157 12.154 1.00 0.00 O ATOM 0 H GLU A 23 11.408 -0.110 9.950 1.00 0.00 H new ATOM 0 HA GLU A 23 12.850 -1.530 10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.038 -3.846 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.889 -3.895 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.750 -2.788 11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.950 -3.195 10.251 1.00 0.00 H new ATOM 357 N GLU A 24 13.447 -1.711 7.783 1.00 0.00 N ATOM 358 CA GLU A 24 14.524 -1.574 6.744 1.00 0.00 C ATOM 359 C GLU A 24 13.805 -1.097 5.465 1.00 0.00 C ATOM 360 O GLU A 24 14.141 -1.423 4.358 1.00 0.00 O ATOM 361 CB GLU A 24 15.144 -2.944 6.558 1.00 0.00 C ATOM 362 CG GLU A 24 14.155 -3.877 5.846 1.00 0.00 C ATOM 363 CD GLU A 24 14.441 -5.346 6.216 1.00 0.00 C ATOM 364 OE1 GLU A 24 14.147 -5.674 7.354 1.00 0.00 O ATOM 365 OE2 GLU A 24 14.930 -6.105 5.413 1.00 0.00 O ATOM 0 H GLU A 24 12.499 -1.762 7.410 1.00 0.00 H new ATOM 0 HA GLU A 24 15.315 -0.873 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.061 -2.861 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.418 -3.362 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.134 -3.617 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.233 -3.745 4.767 1.00 0.00 H new ATOM 372 N THR A 25 12.788 -0.301 5.714 1.00 0.00 N ATOM 373 CA THR A 25 11.977 0.250 4.609 1.00 0.00 C ATOM 374 C THR A 25 12.278 1.727 4.417 1.00 0.00 C ATOM 375 O THR A 25 12.313 2.453 5.377 1.00 0.00 O ATOM 376 CB THR A 25 10.496 0.059 5.014 1.00 0.00 C ATOM 377 OG1 THR A 25 10.141 -1.277 4.734 1.00 0.00 O ATOM 378 CG2 THR A 25 9.681 1.088 4.229 1.00 0.00 C ATOM 0 H THR A 25 12.493 -0.015 6.648 1.00 0.00 H new ATOM 0 HA THR A 25 12.200 -0.256 3.670 1.00 0.00 H new ATOM 0 HB THR A 25 10.308 0.224 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.172 -1.385 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.626 0.989 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.023 2.092 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.813 0.918 3.160 1.00 0.00 H new ATOM 386 N ASN A 26 12.477 2.112 3.179 1.00 0.00 N ATOM 387 CA ASN A 26 12.768 3.553 2.958 1.00 0.00 C ATOM 388 C ASN A 26 12.000 4.146 1.766 1.00 0.00 C ATOM 389 O ASN A 26 11.257 3.523 1.048 1.00 0.00 O ATOM 390 CB ASN A 26 14.294 3.725 2.828 1.00 0.00 C ATOM 391 CG ASN A 26 14.791 3.306 1.459 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.563 4.012 0.498 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.465 2.208 1.259 1.00 0.00 N ATOM 0 H ASN A 26 12.452 1.518 2.350 1.00 0.00 H new ATOM 0 HA ASN A 26 12.412 4.123 3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.559 4.767 3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.794 3.132 3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.781 1.968 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.676 1.589 2.042 1.00 0.00 H new ATOM 400 N GLU A 27 12.172 5.432 1.519 1.00 0.00 N ATOM 401 CA GLU A 27 11.482 6.123 0.391 1.00 0.00 C ATOM 402 C GLU A 27 12.058 5.730 -0.957 1.00 0.00 C ATOM 403 O GLU A 27 11.316 5.634 -1.892 1.00 0.00 O ATOM 404 CB GLU A 27 11.623 7.652 0.494 1.00 0.00 C ATOM 405 CG GLU A 27 11.027 8.345 -0.749 1.00 0.00 C ATOM 406 CD GLU A 27 12.200 8.983 -1.490 1.00 0.00 C ATOM 407 OE1 GLU A 27 13.018 8.249 -2.035 1.00 0.00 O ATOM 408 OE2 GLU A 27 12.224 10.202 -1.471 1.00 0.00 O ATOM 0 H GLU A 27 12.779 6.038 2.071 1.00 0.00 H new ATOM 0 HA GLU A 27 10.438 5.819 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.117 8.008 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.675 7.918 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.511 7.626 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.294 9.098 -0.460 1.00 0.00 H new ATOM 415 N LEU A 28 13.333 5.484 -1.162 1.00 0.00 N ATOM 416 CA LEU A 28 13.856 5.088 -2.529 1.00 0.00 C ATOM 417 C LEU A 28 13.417 3.620 -2.773 1.00 0.00 C ATOM 418 O LEU A 28 13.313 3.128 -3.873 1.00 0.00 O ATOM 419 CB LEU A 28 15.364 5.259 -2.630 1.00 0.00 C ATOM 420 CG LEU A 28 16.132 4.152 -1.899 1.00 0.00 C ATOM 421 CD1 LEU A 28 17.077 3.485 -2.903 1.00 0.00 C ATOM 422 CD2 LEU A 28 16.945 4.749 -0.757 1.00 0.00 C ATOM 0 H LEU A 28 14.048 5.539 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 28 13.443 5.739 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.656 5.266 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.645 6.227 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 28 15.434 3.423 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.636 2.692 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.497 3.061 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.772 4.227 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.488 3.956 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.654 5.474 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.276 5.245 -0.054 1.00 0.00 H new ATOM 434 N MET A 29 13.154 2.951 -1.669 1.00 0.00 N ATOM 435 CA MET A 29 12.710 1.525 -1.686 1.00 0.00 C ATOM 436 C MET A 29 11.276 1.489 -2.192 1.00 0.00 C ATOM 437 O MET A 29 10.909 0.861 -3.167 1.00 0.00 O ATOM 438 CB MET A 29 12.707 1.009 -0.234 1.00 0.00 C ATOM 439 CG MET A 29 12.769 -0.505 -0.183 1.00 0.00 C ATOM 440 SD MET A 29 13.950 -1.029 1.109 1.00 0.00 S ATOM 441 CE MET A 29 12.975 -2.408 1.750 1.00 0.00 C ATOM 0 H MET A 29 13.233 3.351 -0.734 1.00 0.00 H new ATOM 0 HA MET A 29 13.365 0.922 -2.314 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.558 1.427 0.304 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.807 1.355 0.274 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.780 -0.912 0.028 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.076 -0.899 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.583 -2.994 2.440 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.101 -2.023 2.274 1.00 0.00 H new ATOM 0 HE3 MET A 29 12.652 -3.041 0.923 1.00 0.00 H new ATOM 451 N LEU A 30 10.447 2.211 -1.471 1.00 0.00 N ATOM 452 CA LEU A 30 8.996 2.303 -1.809 1.00 0.00 C ATOM 453 C LEU A 30 8.888 3.097 -3.103 1.00 0.00 C ATOM 454 O LEU A 30 7.965 3.035 -3.869 1.00 0.00 O ATOM 455 CB LEU A 30 8.197 3.008 -0.728 1.00 0.00 C ATOM 456 CG LEU A 30 8.144 2.145 0.554 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.858 2.537 1.287 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.064 0.655 0.215 1.00 0.00 C ATOM 0 H LEU A 30 10.724 2.748 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 30 8.588 1.297 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.649 3.974 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.186 3.204 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 30 9.040 2.312 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.770 1.955 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.888 3.599 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.999 2.337 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.028 0.074 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.165 0.463 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.942 0.366 -0.363 1.00 0.00 H new ATOM 470 N SER A 31 9.887 3.889 -3.374 1.00 0.00 N ATOM 471 CA SER A 31 9.968 4.738 -4.599 1.00 0.00 C ATOM 472 C SER A 31 10.042 3.825 -5.817 1.00 0.00 C ATOM 473 O SER A 31 9.237 3.887 -6.706 1.00 0.00 O ATOM 474 CB SER A 31 11.276 5.563 -4.625 1.00 0.00 C ATOM 475 OG SER A 31 11.632 5.704 -6.001 1.00 0.00 O ATOM 0 H SER A 31 10.696 3.987 -2.761 1.00 0.00 H new ATOM 0 HA SER A 31 9.098 5.395 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.131 6.538 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.066 5.058 -4.069 1.00 0.00 H new ATOM 0 HG SER A 31 12.459 6.224 -6.073 1.00 0.00 H new ATOM 481 N MET A 32 11.054 2.987 -5.778 1.00 0.00 N ATOM 482 CA MET A 32 11.222 2.038 -6.893 1.00 0.00 C ATOM 483 C MET A 32 10.170 0.900 -6.862 1.00 0.00 C ATOM 484 O MET A 32 9.791 0.334 -7.885 1.00 0.00 O ATOM 485 CB MET A 32 12.581 1.340 -6.661 1.00 0.00 C ATOM 486 CG MET A 32 13.717 2.337 -6.529 1.00 0.00 C ATOM 487 SD MET A 32 14.590 2.495 -8.127 1.00 0.00 S ATOM 488 CE MET A 32 15.511 3.991 -7.629 1.00 0.00 C ATOM 0 H MET A 32 11.749 2.929 -5.034 1.00 0.00 H new ATOM 0 HA MET A 32 11.134 2.586 -7.831 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.526 0.731 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.787 0.663 -7.490 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.328 3.307 -6.219 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.412 2.010 -5.755 1.00 0.00 H new ATOM 0 HE1 MET A 32 16.149 4.316 -8.451 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.807 4.785 -7.379 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.128 3.766 -6.759 1.00 0.00 H new ATOM 498 N LEU A 33 9.679 0.556 -5.707 1.00 0.00 N ATOM 499 CA LEU A 33 8.667 -0.562 -5.551 1.00 0.00 C ATOM 500 C LEU A 33 7.351 -0.011 -6.107 1.00 0.00 C ATOM 501 O LEU A 33 6.588 -0.651 -6.776 1.00 0.00 O ATOM 502 CB LEU A 33 8.449 -0.840 -4.055 1.00 0.00 C ATOM 503 CG LEU A 33 9.146 -2.126 -3.605 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.281 -2.199 -2.082 1.00 0.00 C ATOM 505 CD2 LEU A 33 8.356 -3.361 -4.047 1.00 0.00 C ATOM 0 H LEU A 33 9.936 1.008 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 33 8.998 -1.471 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.825 0.000 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.381 -0.916 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 33 10.134 -2.110 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.781 -3.127 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.867 -1.351 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.291 -2.171 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.873 -4.261 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.359 -3.332 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.273 -3.370 -5.134 1.00 0.00 H new ATOM 517 N PHE A 34 7.165 1.245 -5.774 1.00 0.00 N ATOM 518 CA PHE A 34 5.901 1.891 -6.289 1.00 0.00 C ATOM 519 C PHE A 34 6.105 2.302 -7.749 1.00 0.00 C ATOM 520 O PHE A 34 5.160 2.387 -8.497 1.00 0.00 O ATOM 521 CB PHE A 34 5.455 3.037 -5.401 1.00 0.00 C ATOM 522 CG PHE A 34 4.907 2.436 -4.113 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.930 1.443 -4.237 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.349 2.844 -2.863 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.352 0.816 -3.124 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.768 2.214 -1.739 1.00 0.00 C ATOM 527 CZ PHE A 34 3.790 1.219 -1.860 1.00 0.00 C ATOM 0 H PHE A 34 7.784 1.824 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 34 5.084 1.170 -6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.291 3.703 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.691 3.633 -5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.609 1.149 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.103 3.609 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.598 0.052 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.090 2.511 -0.752 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.373 0.762 -0.974 1.00 0.00 H new ATOM 537 N ASN A 35 7.340 2.538 -8.086 1.00 0.00 N ATOM 538 CA ASN A 35 7.756 2.952 -9.444 1.00 0.00 C ATOM 539 C ASN A 35 7.496 1.768 -10.394 1.00 0.00 C ATOM 540 O ASN A 35 7.021 2.016 -11.481 1.00 0.00 O ATOM 541 CB ASN A 35 9.240 3.284 -9.543 1.00 0.00 C ATOM 542 CG ASN A 35 9.544 3.457 -11.050 1.00 0.00 C ATOM 543 OD1 ASN A 35 8.842 4.217 -11.682 1.00 0.00 O ATOM 544 ND2 ASN A 35 10.525 2.785 -11.561 1.00 0.00 N ATOM 0 H ASN A 35 8.118 2.454 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 35 7.191 3.848 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.473 4.195 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.847 2.487 -9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.746 2.879 -12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.077 2.161 -10.972 1.00 0.00 H new ATOM 551 N GLN A 36 7.801 0.562 -9.972 1.00 0.00 N ATOM 552 CA GLN A 36 7.596 -0.668 -10.770 1.00 0.00 C ATOM 553 C GLN A 36 6.328 -0.595 -11.661 1.00 0.00 C ATOM 554 O GLN A 36 6.299 -1.169 -12.725 1.00 0.00 O ATOM 555 CB GLN A 36 7.352 -1.832 -9.793 1.00 0.00 C ATOM 556 CG GLN A 36 8.688 -2.444 -9.391 1.00 0.00 C ATOM 557 CD GLN A 36 8.607 -3.964 -9.311 1.00 0.00 C ATOM 558 OE1 GLN A 36 9.028 -4.711 -10.163 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.042 -4.526 -8.258 1.00 0.00 N ATOM 0 H GLN A 36 8.206 0.384 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 36 8.476 -0.796 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.823 -1.475 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.720 -2.587 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.452 -2.157 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.996 -2.044 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.669 -3.944 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.979 -5.542 -8.195 1.00 0.00 H new ATOM 568 N PHE A 37 5.365 0.113 -11.154 1.00 0.00 N ATOM 569 CA PHE A 37 4.001 0.361 -11.782 1.00 0.00 C ATOM 570 C PHE A 37 3.886 1.640 -12.602 1.00 0.00 C ATOM 571 O PHE A 37 4.151 2.720 -12.143 1.00 0.00 O ATOM 572 CB PHE A 37 2.979 0.271 -10.604 1.00 0.00 C ATOM 573 CG PHE A 37 3.258 -1.114 -10.007 1.00 0.00 C ATOM 574 CD1 PHE A 37 2.604 -2.257 -10.451 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.218 -1.228 -8.992 1.00 0.00 C ATOM 576 CE1 PHE A 37 2.917 -3.509 -9.878 1.00 0.00 C ATOM 577 CE2 PHE A 37 4.547 -2.457 -8.410 1.00 0.00 C ATOM 578 CZ PHE A 37 3.878 -3.600 -8.873 1.00 0.00 C ATOM 0 H PHE A 37 5.463 0.577 -10.251 1.00 0.00 H new ATOM 0 HA PHE A 37 3.799 -0.390 -12.545 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.136 1.064 -9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.951 0.359 -10.955 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.860 -2.188 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.721 -0.337 -8.647 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.410 -4.399 -10.220 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.291 -2.524 -7.630 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.111 -4.564 -8.445 1.00 0.00 H new ATOM 588 N PRO A 38 3.475 1.485 -13.845 1.00 0.00 N ATOM 589 CA PRO A 38 3.302 2.628 -14.791 1.00 0.00 C ATOM 590 C PRO A 38 2.327 3.653 -14.212 1.00 0.00 C ATOM 591 O PRO A 38 2.254 4.783 -14.651 1.00 0.00 O ATOM 592 CB PRO A 38 2.782 2.071 -16.115 1.00 0.00 C ATOM 593 CG PRO A 38 2.483 0.578 -15.884 1.00 0.00 C ATOM 594 CD PRO A 38 3.117 0.240 -14.533 1.00 0.00 C ATOM 0 HA PRO A 38 4.254 3.135 -14.951 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.883 2.601 -16.431 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.522 2.199 -16.905 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.409 0.390 -15.872 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.905 -0.035 -16.680 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.421 -0.338 -13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.003 -0.378 -14.678 1.00 0.00 H new ATOM 602 N GLY A 39 1.543 3.284 -13.209 1.00 0.00 N ATOM 603 CA GLY A 39 0.558 4.233 -12.594 1.00 0.00 C ATOM 604 C GLY A 39 1.229 4.900 -11.380 1.00 0.00 C ATOM 605 O GLY A 39 0.558 5.582 -10.653 1.00 0.00 O ATOM 0 H GLY A 39 1.550 2.353 -12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.251 4.986 -13.320 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.342 3.701 -12.286 1.00 0.00 H new ATOM 609 N PHE A 40 2.487 4.647 -11.271 1.00 0.00 N ATOM 610 CA PHE A 40 3.288 5.221 -10.143 1.00 0.00 C ATOM 611 C PHE A 40 3.046 6.715 -10.199 1.00 0.00 C ATOM 612 O PHE A 40 3.499 7.345 -11.121 1.00 0.00 O ATOM 613 CB PHE A 40 4.762 4.966 -10.493 1.00 0.00 C ATOM 614 CG PHE A 40 5.694 5.890 -9.777 1.00 0.00 C ATOM 615 CD1 PHE A 40 5.733 5.823 -8.377 1.00 0.00 C ATOM 616 CD2 PHE A 40 6.500 6.797 -10.497 1.00 0.00 C ATOM 617 CE1 PHE A 40 6.591 6.675 -7.696 1.00 0.00 C ATOM 618 CE2 PHE A 40 7.351 7.635 -9.775 1.00 0.00 C ATOM 619 CZ PHE A 40 7.409 7.586 -8.387 1.00 0.00 C ATOM 0 H PHE A 40 3.015 4.060 -11.917 1.00 0.00 H new ATOM 0 HA PHE A 40 3.035 4.803 -9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.017 3.936 -10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.900 5.079 -11.568 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.109 5.124 -7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.460 6.841 -11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.631 6.638 -6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.978 8.336 -10.306 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.075 8.241 -7.845 1.00 0.00 H new ATOM 629 N LYS A 41 2.345 7.226 -9.219 1.00 0.00 N ATOM 630 CA LYS A 41 2.090 8.676 -9.254 1.00 0.00 C ATOM 631 C LYS A 41 2.348 9.410 -7.935 1.00 0.00 C ATOM 632 O LYS A 41 3.018 10.438 -7.972 1.00 0.00 O ATOM 633 CB LYS A 41 0.590 8.893 -9.551 1.00 0.00 C ATOM 634 CG LYS A 41 0.365 10.177 -10.324 1.00 0.00 C ATOM 635 CD LYS A 41 0.072 11.279 -9.308 1.00 0.00 C ATOM 636 CE LYS A 41 -0.207 12.624 -9.980 1.00 0.00 C ATOM 637 NZ LYS A 41 -1.263 13.360 -9.223 1.00 0.00 N ATOM 0 H LYS A 41 1.955 6.715 -8.427 1.00 0.00 H new ATOM 0 HA LYS A 41 2.773 9.072 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.204 8.049 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.032 8.926 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.245 10.427 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.467 10.065 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.787 10.993 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.920 11.382 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.706 13.218 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.528 12.466 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.448 14.273 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.137 12.796 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.941 13.524 -8.248 1.00 0.00 H new ATOM 651 N GLU A 42 1.848 8.916 -6.850 1.00 0.00 N ATOM 652 CA GLU A 42 2.052 9.570 -5.526 1.00 0.00 C ATOM 653 C GLU A 42 2.569 8.481 -4.570 1.00 0.00 C ATOM 654 O GLU A 42 2.083 7.380 -4.591 1.00 0.00 O ATOM 655 CB GLU A 42 0.800 10.263 -5.027 1.00 0.00 C ATOM 656 CG GLU A 42 1.194 11.579 -4.353 1.00 0.00 C ATOM 657 CD GLU A 42 1.558 12.647 -5.369 1.00 0.00 C ATOM 658 OE1 GLU A 42 0.875 12.681 -6.382 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.500 13.402 -5.126 1.00 0.00 O ATOM 0 H GLU A 42 1.290 8.063 -6.817 1.00 0.00 H new ATOM 0 HA GLU A 42 2.784 10.375 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.119 10.454 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.271 9.622 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.369 11.932 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.040 11.407 -3.687 1.00 0.00 H new ATOM 666 N VAL A 43 3.540 8.851 -3.784 1.00 0.00 N ATOM 667 CA VAL A 43 4.218 7.988 -2.819 1.00 0.00 C ATOM 668 C VAL A 43 4.674 8.880 -1.651 1.00 0.00 C ATOM 669 O VAL A 43 5.423 9.808 -1.799 1.00 0.00 O ATOM 670 CB VAL A 43 5.401 7.231 -3.420 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.992 5.767 -3.620 1.00 0.00 C ATOM 672 CG2 VAL A 43 5.838 7.884 -4.732 1.00 0.00 C ATOM 0 H VAL A 43 3.908 9.802 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 43 3.525 7.217 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 43 6.257 7.268 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.826 5.212 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.721 5.330 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.137 5.717 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.682 7.334 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.009 7.868 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.135 8.916 -4.544 1.00 0.00 H new ATOM 682 N ARG A 44 4.132 8.522 -0.540 1.00 0.00 N ATOM 683 CA ARG A 44 4.344 9.229 0.763 1.00 0.00 C ATOM 684 C ARG A 44 4.971 8.216 1.742 1.00 0.00 C ATOM 685 O ARG A 44 4.275 7.472 2.370 1.00 0.00 O ATOM 686 CB ARG A 44 3.042 9.689 1.395 1.00 0.00 C ATOM 687 CG ARG A 44 3.298 11.021 2.129 1.00 0.00 C ATOM 688 CD ARG A 44 2.766 12.164 1.256 1.00 0.00 C ATOM 689 NE ARG A 44 3.089 11.959 -0.172 1.00 0.00 N ATOM 690 CZ ARG A 44 3.337 12.983 -0.919 1.00 0.00 C ATOM 691 NH1 ARG A 44 4.301 13.802 -0.619 1.00 0.00 N ATOM 692 NH2 ARG A 44 2.619 13.190 -1.977 1.00 0.00 N ATOM 0 H ARG A 44 3.509 7.718 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 44 4.969 10.101 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.275 9.819 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.673 8.937 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.801 11.021 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.364 11.152 2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.685 12.241 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.193 13.108 1.593 1.00 0.00 H new ATOM 0 HE ARG A 44 3.116 11.018 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.869 13.639 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.489 14.608 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.864 12.547 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.808 13.996 -2.572 1.00 0.00 H new ATOM 706 N LEU A 45 6.265 8.294 1.782 1.00 0.00 N ATOM 707 CA LEU A 45 7.122 7.449 2.650 1.00 0.00 C ATOM 708 C LEU A 45 8.212 8.372 3.240 1.00 0.00 C ATOM 709 O LEU A 45 9.244 8.519 2.632 1.00 0.00 O ATOM 710 CB LEU A 45 7.735 6.348 1.771 1.00 0.00 C ATOM 711 CG LEU A 45 8.349 5.249 2.640 1.00 0.00 C ATOM 712 CD1 LEU A 45 9.632 5.743 3.346 1.00 0.00 C ATOM 713 CD2 LEU A 45 7.375 4.756 3.712 1.00 0.00 C ATOM 0 H LEU A 45 6.795 8.952 1.211 1.00 0.00 H new ATOM 0 HA LEU A 45 6.570 6.977 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.968 5.922 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.499 6.776 1.122 1.00 0.00 H new ATOM 0 HG LEU A 45 8.587 4.428 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.044 4.939 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.366 6.044 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.392 6.595 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.852 3.976 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.096 5.587 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.482 4.353 3.234 1.00 0.00 H new ATOM 725 N VAL A 46 7.914 8.942 4.367 1.00 0.00 N ATOM 726 CA VAL A 46 8.859 9.894 5.047 1.00 0.00 C ATOM 727 C VAL A 46 9.785 9.187 6.024 1.00 0.00 C ATOM 728 O VAL A 46 9.318 8.670 7.007 1.00 0.00 O ATOM 729 CB VAL A 46 8.009 11.018 5.720 1.00 0.00 C ATOM 730 CG1 VAL A 46 8.976 12.114 6.206 1.00 0.00 C ATOM 731 CG2 VAL A 46 7.003 11.613 4.743 1.00 0.00 C ATOM 0 H VAL A 46 7.037 8.792 4.866 1.00 0.00 H new ATOM 0 HA VAL A 46 9.527 10.342 4.311 1.00 0.00 H new ATOM 0 HB VAL A 46 7.446 10.597 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.409 12.914 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.676 11.689 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.528 12.516 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.428 12.392 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.532 12.042 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.328 10.831 4.394 1.00 0.00 H new ATOM 741 N PRO A 47 11.046 9.181 5.730 1.00 0.00 N ATOM 742 CA PRO A 47 12.122 8.555 6.536 1.00 0.00 C ATOM 743 C PRO A 47 11.954 8.800 8.035 1.00 0.00 C ATOM 744 O PRO A 47 12.379 7.935 8.794 1.00 0.00 O ATOM 745 CB PRO A 47 13.413 9.119 5.954 1.00 0.00 C ATOM 746 CG PRO A 47 13.047 9.246 4.450 1.00 0.00 C ATOM 747 CD PRO A 47 11.615 9.801 4.520 1.00 0.00 C ATOM 0 HA PRO A 47 12.109 7.467 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.675 10.081 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.261 8.453 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.721 9.920 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.088 8.285 3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.612 10.889 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.042 9.538 3.631 1.00 0.00 H new ATOM 755 N GLY A 48 11.376 9.891 8.477 1.00 0.00 N ATOM 756 CA GLY A 48 11.225 10.059 9.965 1.00 0.00 C ATOM 757 C GLY A 48 10.371 8.850 10.415 1.00 0.00 C ATOM 758 O GLY A 48 10.495 8.313 11.482 1.00 0.00 O ATOM 0 H GLY A 48 11.013 10.650 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.195 10.065 10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.735 11.002 10.209 1.00 0.00 H new ATOM 762 N ARG A 49 9.507 8.453 9.513 1.00 0.00 N ATOM 763 CA ARG A 49 8.599 7.304 9.675 1.00 0.00 C ATOM 764 C ARG A 49 9.231 6.000 9.114 1.00 0.00 C ATOM 765 O ARG A 49 9.520 5.139 9.897 1.00 0.00 O ATOM 766 CB ARG A 49 7.257 7.500 8.923 1.00 0.00 C ATOM 767 CG ARG A 49 6.424 8.552 9.655 1.00 0.00 C ATOM 768 CD ARG A 49 6.280 9.750 8.690 1.00 0.00 C ATOM 769 NE ARG A 49 7.264 10.770 9.156 1.00 0.00 N ATOM 770 CZ ARG A 49 6.923 11.960 9.547 1.00 0.00 C ATOM 771 NH1 ARG A 49 6.261 12.755 8.765 1.00 0.00 N ATOM 772 NH2 ARG A 49 7.241 12.373 10.729 1.00 0.00 N ATOM 0 H ARG A 49 9.400 8.923 8.614 1.00 0.00 H new ATOM 0 HA ARG A 49 8.422 7.229 10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.444 7.815 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.713 6.557 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.447 8.153 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.911 8.857 10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.485 9.451 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.265 10.148 8.710 1.00 0.00 H new ATOM 0 HE ARG A 49 8.253 10.520 9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.001 12.448 7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.001 13.687 9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.762 11.763 11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.971 13.309 11.032 1.00 0.00 H new ATOM 786 N HIS A 50 9.336 5.968 7.809 1.00 0.00 N ATOM 787 CA HIS A 50 9.840 4.691 7.137 1.00 0.00 C ATOM 788 C HIS A 50 8.732 3.653 7.496 1.00 0.00 C ATOM 789 O HIS A 50 8.946 2.476 7.411 1.00 0.00 O ATOM 790 CB HIS A 50 11.120 4.111 7.713 1.00 0.00 C ATOM 791 CG HIS A 50 12.382 4.707 7.128 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.684 5.270 5.928 1.00 0.00 N flip ATOM 793 CD2 HIS A 50 13.544 4.732 7.898 1.00 0.00 C flip ATOM 794 CE1 HIS A 50 14.008 5.651 5.915 1.00 0.00 C flip ATOM 795 NE2 HIS A 50 14.468 5.305 7.116 1.00 0.00 N flip ATOM 0 H HIS A 50 9.106 6.737 7.180 1.00 0.00 H new ATOM 0 HA HIS A 50 10.037 4.903 6.086 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.124 4.265 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.127 3.034 7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.671 4.368 8.907 1.00 0.00 H new ATOM 0 HE1 HIS A 50 14.551 6.124 5.111 1.00 0.00 H new ATOM 0 HE2 HIS A 50 15.432 5.461 7.412 1.00 0.00 H new ATOM 804 N ASP A 51 7.586 4.170 7.907 1.00 0.00 N ATOM 805 CA ASP A 51 6.510 3.223 8.314 1.00 0.00 C ATOM 806 C ASP A 51 5.098 3.603 7.923 1.00 0.00 C ATOM 807 O ASP A 51 4.198 2.826 8.090 1.00 0.00 O ATOM 808 CB ASP A 51 6.585 3.034 9.846 1.00 0.00 C ATOM 809 CG ASP A 51 5.833 4.166 10.540 1.00 0.00 C ATOM 810 OD1 ASP A 51 4.614 4.039 10.634 1.00 0.00 O ATOM 811 OD2 ASP A 51 6.436 5.125 10.967 1.00 0.00 O ATOM 0 H ASP A 51 7.364 5.163 7.973 1.00 0.00 H new ATOM 0 HA ASP A 51 6.705 2.304 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.154 2.073 10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.626 3.023 10.170 1.00 0.00 H new ATOM 816 N ILE A 52 4.828 4.768 7.365 1.00 0.00 N ATOM 817 CA ILE A 52 3.504 5.229 6.935 1.00 0.00 C ATOM 818 C ILE A 52 3.637 5.486 5.415 1.00 0.00 C ATOM 819 O ILE A 52 4.370 6.345 4.999 1.00 0.00 O ATOM 820 CB ILE A 52 2.970 6.452 7.642 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.841 7.701 7.421 1.00 0.00 C ATOM 822 CG2 ILE A 52 2.839 6.221 9.161 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.164 8.630 6.429 1.00 0.00 C ATOM 0 H ILE A 52 5.557 5.459 7.187 1.00 0.00 H new ATOM 0 HA ILE A 52 2.770 4.465 7.190 1.00 0.00 H new ATOM 0 HB ILE A 52 1.988 6.626 7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.999 8.218 8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.823 7.410 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.452 7.123 9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.155 5.393 9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.817 5.984 9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.784 9.513 6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.029 8.112 5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.192 8.933 6.819 1.00 0.00 H new ATOM 835 N ALA A 53 2.938 4.676 4.653 1.00 0.00 N ATOM 836 CA ALA A 53 3.025 4.710 3.185 1.00 0.00 C ATOM 837 C ALA A 53 1.644 5.074 2.592 1.00 0.00 C ATOM 838 O ALA A 53 0.708 4.341 2.808 1.00 0.00 O ATOM 839 CB ALA A 53 3.339 3.274 2.721 1.00 0.00 C ATOM 0 H ALA A 53 2.293 3.974 5.016 1.00 0.00 H new ATOM 0 HA ALA A 53 3.777 5.433 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.413 3.251 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.284 2.950 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.542 2.605 3.045 1.00 0.00 H new ATOM 845 N PHE A 54 1.683 6.180 1.917 1.00 0.00 N ATOM 846 CA PHE A 54 0.521 6.761 1.150 1.00 0.00 C ATOM 847 C PHE A 54 0.879 6.792 -0.360 1.00 0.00 C ATOM 848 O PHE A 54 1.593 7.627 -0.867 1.00 0.00 O ATOM 849 CB PHE A 54 0.103 8.146 1.616 1.00 0.00 C ATOM 850 CG PHE A 54 -1.239 8.585 1.027 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.390 8.768 -0.354 1.00 0.00 C ATOM 852 CD2 PHE A 54 -2.314 8.800 1.883 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.633 9.168 -0.872 1.00 0.00 C ATOM 854 CE2 PHE A 54 -3.556 9.195 1.390 1.00 0.00 C ATOM 855 CZ PHE A 54 -3.696 9.372 0.013 1.00 0.00 C ATOM 0 H PHE A 54 2.525 6.752 1.855 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.337 6.115 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.038 8.155 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.871 8.867 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.554 8.602 -1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.184 8.659 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.765 9.315 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.389 9.360 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.655 9.676 -0.381 1.00 0.00 H new ATOM 865 N VAL A 55 0.348 5.765 -1.029 1.00 0.00 N ATOM 866 CA VAL A 55 0.604 5.476 -2.444 1.00 0.00 C ATOM 867 C VAL A 55 -0.616 5.563 -3.345 1.00 0.00 C ATOM 868 O VAL A 55 -1.534 4.781 -3.460 1.00 0.00 O ATOM 869 CB VAL A 55 1.112 4.007 -2.521 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.532 3.766 -3.946 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.273 3.781 -1.526 1.00 0.00 C ATOM 0 H VAL A 55 -0.286 5.096 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 55 1.313 6.226 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 55 0.332 3.300 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.897 2.744 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.678 3.915 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.325 4.464 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.615 2.748 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.096 4.453 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.928 3.983 -0.512 1.00 0.00 H new ATOM 881 N GLU A 56 -0.570 6.647 -4.091 1.00 0.00 N ATOM 882 CA GLU A 56 -1.561 7.063 -5.103 1.00 0.00 C ATOM 883 C GLU A 56 -1.125 6.607 -6.518 1.00 0.00 C ATOM 884 O GLU A 56 -0.281 7.178 -7.148 1.00 0.00 O ATOM 885 CB GLU A 56 -1.773 8.583 -5.153 1.00 0.00 C ATOM 886 CG GLU A 56 -3.140 8.982 -5.721 1.00 0.00 C ATOM 887 CD GLU A 56 -2.917 9.935 -6.901 1.00 0.00 C ATOM 888 OE1 GLU A 56 -2.711 11.111 -6.689 1.00 0.00 O ATOM 889 OE2 GLU A 56 -2.956 9.454 -8.035 1.00 0.00 O ATOM 0 H GLU A 56 0.200 7.311 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.496 6.588 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.671 8.991 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.988 9.033 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.688 8.098 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.743 9.465 -4.952 1.00 0.00 H new ATOM 896 N PHE A 57 -1.739 5.519 -6.930 1.00 0.00 N ATOM 897 CA PHE A 57 -1.460 4.803 -8.189 1.00 0.00 C ATOM 898 C PHE A 57 -2.509 5.125 -9.284 1.00 0.00 C ATOM 899 O PHE A 57 -3.590 4.629 -9.174 1.00 0.00 O ATOM 900 CB PHE A 57 -1.712 3.289 -7.957 1.00 0.00 C ATOM 901 CG PHE A 57 -0.659 2.558 -7.206 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.533 2.045 -7.749 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.889 2.335 -5.831 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.453 1.336 -6.967 1.00 0.00 C ATOM 905 CE2 PHE A 57 -0.009 1.636 -5.017 1.00 0.00 C ATOM 906 CZ PHE A 57 1.164 1.137 -5.608 1.00 0.00 C ATOM 0 H PHE A 57 -2.480 5.078 -6.385 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.447 5.081 -8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.655 3.176 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.836 2.809 -8.928 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.744 2.202 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.794 2.728 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.364 0.951 -7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.218 1.481 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.864 0.584 -4.999 1.00 0.00 H new ATOM 916 N ASP A 58 -2.065 5.924 -10.177 1.00 0.00 N ATOM 917 CA ASP A 58 -2.875 6.397 -11.356 1.00 0.00 C ATOM 918 C ASP A 58 -4.124 5.551 -11.545 1.00 0.00 C ATOM 919 O ASP A 58 -5.205 6.112 -11.623 1.00 0.00 O ATOM 920 CB ASP A 58 -1.979 6.404 -12.607 1.00 0.00 C ATOM 921 CG ASP A 58 -2.697 7.163 -13.723 1.00 0.00 C ATOM 922 OD1 ASP A 58 -3.208 8.215 -13.404 1.00 0.00 O ATOM 923 OD2 ASP A 58 -2.691 6.631 -14.817 1.00 0.00 O ATOM 0 H ASP A 58 -1.119 6.305 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.225 7.413 -11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.023 6.877 -12.384 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.764 5.383 -12.923 1.00 0.00 H new ATOM 928 N ASN A 59 -4.010 4.255 -11.594 1.00 0.00 N ATOM 929 CA ASN A 59 -5.253 3.442 -11.740 1.00 0.00 C ATOM 930 C ASN A 59 -5.117 2.159 -10.885 1.00 0.00 C ATOM 931 O ASN A 59 -4.069 1.632 -10.684 1.00 0.00 O ATOM 932 CB ASN A 59 -5.599 3.133 -13.186 1.00 0.00 C ATOM 933 CG ASN A 59 -4.660 2.091 -13.787 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.493 0.984 -13.327 1.00 0.00 O ATOM 935 ND2 ASN A 59 -3.985 2.416 -14.863 1.00 0.00 N ATOM 0 H ASN A 59 -3.136 3.732 -11.541 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.093 4.033 -11.374 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.626 2.772 -13.244 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.549 4.049 -13.775 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.344 1.744 -15.285 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.101 3.341 -15.278 1.00 0.00 H new ATOM 942 N GLU A 60 -6.252 1.731 -10.417 1.00 0.00 N ATOM 943 CA GLU A 60 -6.408 0.505 -9.557 1.00 0.00 C ATOM 944 C GLU A 60 -5.841 -0.784 -10.164 1.00 0.00 C ATOM 945 O GLU A 60 -5.552 -1.767 -9.518 1.00 0.00 O ATOM 946 CB GLU A 60 -7.869 0.341 -9.105 1.00 0.00 C ATOM 947 CG GLU A 60 -8.811 0.167 -10.280 1.00 0.00 C ATOM 948 CD GLU A 60 -9.630 1.463 -10.438 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.452 1.740 -9.591 1.00 0.00 O ATOM 950 OE2 GLU A 60 -9.374 2.125 -11.425 1.00 0.00 O ATOM 0 H GLU A 60 -7.136 2.205 -10.603 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.786 0.678 -8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.949 -0.523 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.169 1.214 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.249 -0.040 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.473 -0.683 -10.114 1.00 0.00 H new ATOM 957 N VAL A 61 -5.629 -0.884 -11.463 1.00 0.00 N ATOM 958 CA VAL A 61 -5.036 -2.150 -12.045 1.00 0.00 C ATOM 959 C VAL A 61 -3.543 -2.105 -11.603 1.00 0.00 C ATOM 960 O VAL A 61 -2.969 -3.091 -11.211 1.00 0.00 O ATOM 961 CB VAL A 61 -5.161 -2.145 -13.556 1.00 0.00 C ATOM 962 CG1 VAL A 61 -4.132 -3.094 -14.186 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.597 -2.573 -13.922 1.00 0.00 C ATOM 0 H VAL A 61 -5.838 -0.153 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.540 -3.054 -11.703 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.963 -1.146 -13.944 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.237 -3.077 -15.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.127 -2.773 -13.914 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.300 -4.107 -13.821 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.710 -2.577 -15.006 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.789 -3.573 -13.534 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.308 -1.872 -13.485 1.00 0.00 H new ATOM 973 N GLN A 62 -3.018 -0.911 -11.692 1.00 0.00 N ATOM 974 CA GLN A 62 -1.605 -0.734 -11.247 1.00 0.00 C ATOM 975 C GLN A 62 -1.549 -0.619 -9.712 1.00 0.00 C ATOM 976 O GLN A 62 -0.553 -1.058 -9.147 1.00 0.00 O ATOM 977 CB GLN A 62 -0.870 0.470 -11.834 1.00 0.00 C ATOM 978 CG GLN A 62 -1.155 0.628 -13.343 1.00 0.00 C ATOM 979 CD GLN A 62 -1.419 2.113 -13.606 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.184 2.693 -12.853 1.00 0.00 O ATOM 981 NE2 GLN A 62 -0.843 2.714 -14.601 1.00 0.00 N ATOM 0 H GLN A 62 -3.488 -0.076 -12.042 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.093 -1.621 -11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.175 1.375 -11.309 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.202 0.355 -11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.307 0.279 -13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.016 0.027 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.209 2.198 -15.211 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.024 3.703 -14.774 1.00 0.00 H new ATOM 990 N ALA A 63 -2.527 -0.084 -9.081 1.00 0.00 N ATOM 991 CA ALA A 63 -2.440 0.034 -7.591 1.00 0.00 C ATOM 992 C ALA A 63 -2.622 -1.401 -7.057 1.00 0.00 C ATOM 993 O ALA A 63 -1.947 -1.820 -6.158 1.00 0.00 O ATOM 994 CB ALA A 63 -3.546 0.952 -7.096 1.00 0.00 C ATOM 0 H ALA A 63 -3.380 0.278 -9.507 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.495 0.458 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.487 1.041 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.431 1.937 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.515 0.537 -7.374 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.558 -2.042 -7.703 1.00 0.00 N ATOM 1001 CA GLY A 64 -3.949 -3.464 -7.391 1.00 0.00 C ATOM 1002 C GLY A 64 -2.764 -4.304 -7.795 1.00 0.00 C ATOM 1003 O GLY A 64 -2.468 -5.308 -7.181 1.00 0.00 O ATOM 0 H GLY A 64 -4.093 -1.628 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.174 -3.586 -6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.843 -3.755 -7.942 1.00 0.00 H new ATOM 1007 N ALA A 65 -2.045 -3.944 -8.820 1.00 0.00 N ATOM 1008 CA ALA A 65 -0.854 -4.727 -9.274 1.00 0.00 C ATOM 1009 C ALA A 65 0.180 -4.604 -8.178 1.00 0.00 C ATOM 1010 O ALA A 65 0.600 -5.606 -7.626 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.265 -4.194 -10.574 1.00 0.00 C ATOM 0 H ALA A 65 -2.237 -3.114 -9.381 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.151 -5.759 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.597 -4.798 -10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.017 -4.242 -11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.048 -3.159 -10.434 1.00 0.00 H new ATOM 1017 N ALA A 66 0.632 -3.433 -7.799 1.00 0.00 N ATOM 1018 CA ALA A 66 1.634 -3.205 -6.733 1.00 0.00 C ATOM 1019 C ALA A 66 1.160 -3.863 -5.434 1.00 0.00 C ATOM 1020 O ALA A 66 1.849 -4.545 -4.718 1.00 0.00 O ATOM 1021 CB ALA A 66 1.694 -1.693 -6.432 1.00 0.00 C ATOM 0 H ALA A 66 0.312 -2.565 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 66 2.593 -3.606 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.428 -1.507 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.982 -1.154 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.714 -1.349 -6.101 1.00 0.00 H new ATOM 1027 N ARG A 67 -0.096 -3.667 -5.110 1.00 0.00 N ATOM 1028 CA ARG A 67 -0.676 -4.272 -3.875 1.00 0.00 C ATOM 1029 C ARG A 67 -0.631 -5.777 -3.999 1.00 0.00 C ATOM 1030 O ARG A 67 -0.097 -6.419 -3.121 1.00 0.00 O ATOM 1031 CB ARG A 67 -2.095 -3.727 -3.718 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.584 -3.719 -2.264 1.00 0.00 C ATOM 1033 CD ARG A 67 -1.885 -4.771 -1.385 1.00 0.00 C ATOM 1034 NE ARG A 67 -2.616 -6.063 -1.458 1.00 0.00 N ATOM 1035 CZ ARG A 67 -3.763 -6.134 -0.814 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -3.734 -6.194 0.485 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.858 -6.138 -1.514 1.00 0.00 N ATOM 0 H ARG A 67 -0.749 -3.106 -5.657 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.110 -4.012 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.133 -2.712 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.776 -4.328 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.419 -2.730 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.659 -3.897 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.856 -4.907 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.844 -4.425 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.247 -6.857 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.840 -6.185 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.605 -6.250 1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.813 -6.087 -2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.763 -6.192 -1.046 1.00 0.00 H new ATOM 1051 N ASP A 68 -1.133 -6.396 -5.023 1.00 0.00 N ATOM 1052 CA ASP A 68 -1.089 -7.878 -5.208 1.00 0.00 C ATOM 1053 C ASP A 68 0.378 -8.378 -5.308 1.00 0.00 C ATOM 1054 O ASP A 68 0.677 -9.512 -4.982 1.00 0.00 O ATOM 1055 CB ASP A 68 -1.804 -8.350 -6.498 1.00 0.00 C ATOM 1056 CG ASP A 68 -0.803 -8.874 -7.543 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -0.234 -8.091 -8.286 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -0.618 -10.078 -7.583 1.00 0.00 O ATOM 0 H ASP A 68 -1.601 -5.908 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.599 -8.289 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.518 -9.136 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.374 -7.523 -6.922 1.00 0.00 H new ATOM 1063 N ALA A 69 1.261 -7.538 -5.749 1.00 0.00 N ATOM 1064 CA ALA A 69 2.701 -7.853 -5.901 1.00 0.00 C ATOM 1065 C ALA A 69 3.327 -7.877 -4.495 1.00 0.00 C ATOM 1066 O ALA A 69 4.148 -8.741 -4.259 1.00 0.00 O ATOM 1067 CB ALA A 69 3.461 -6.801 -6.702 1.00 0.00 C ATOM 0 H ALA A 69 1.025 -6.585 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 69 2.773 -8.805 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.510 -7.089 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.032 -6.725 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.385 -5.836 -6.200 1.00 0.00 H new ATOM 1073 N LEU A 70 2.944 -6.974 -3.633 1.00 0.00 N ATOM 1074 CA LEU A 70 3.529 -6.968 -2.250 1.00 0.00 C ATOM 1075 C LEU A 70 2.323 -6.979 -1.284 1.00 0.00 C ATOM 1076 O LEU A 70 2.278 -6.222 -0.342 1.00 0.00 O ATOM 1077 CB LEU A 70 4.454 -5.789 -1.976 1.00 0.00 C ATOM 1078 CG LEU A 70 3.865 -4.504 -2.591 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.141 -3.262 -1.733 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.519 -4.260 -3.948 1.00 0.00 C ATOM 0 H LEU A 70 2.257 -6.243 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 70 4.171 -7.839 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.585 -5.661 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.440 -5.984 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 70 2.788 -4.652 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.705 -2.385 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.697 -3.395 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.217 -3.122 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.109 -3.353 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.595 -4.146 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.321 -5.107 -4.605 1.00 0.00 H new ATOM 1092 N GLN A 71 1.389 -7.861 -1.568 1.00 0.00 N ATOM 1093 CA GLN A 71 0.151 -8.046 -0.770 1.00 0.00 C ATOM 1094 C GLN A 71 0.453 -8.795 0.537 1.00 0.00 C ATOM 1095 O GLN A 71 -0.317 -9.627 0.999 1.00 0.00 O ATOM 1096 CB GLN A 71 -0.844 -8.867 -1.607 1.00 0.00 C ATOM 1097 CG GLN A 71 -2.203 -8.971 -0.905 1.00 0.00 C ATOM 1098 CD GLN A 71 -3.364 -8.945 -1.872 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -3.268 -9.093 -3.062 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -4.567 -8.750 -1.389 1.00 0.00 N ATOM 0 H GLN A 71 1.450 -8.490 -2.369 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.266 -7.071 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.971 -8.403 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.442 -9.866 -1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.238 -9.894 -0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.306 -8.148 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.699 -8.619 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.371 -8.729 -2.016 1.00 0.00 H new ATOM 1109 N GLY A 72 1.546 -8.559 1.189 1.00 0.00 N ATOM 1110 CA GLY A 72 1.807 -9.304 2.464 1.00 0.00 C ATOM 1111 C GLY A 72 3.324 -9.201 2.713 1.00 0.00 C ATOM 1112 O GLY A 72 4.001 -10.173 2.909 1.00 0.00 O ATOM 0 H GLY A 72 2.268 -7.895 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.245 -8.870 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.495 -10.345 2.378 1.00 0.00 H new ATOM 1116 N PHE A 73 3.760 -7.967 2.675 1.00 0.00 N ATOM 1117 CA PHE A 73 5.204 -7.740 2.903 1.00 0.00 C ATOM 1118 C PHE A 73 5.482 -8.118 4.376 1.00 0.00 C ATOM 1119 O PHE A 73 5.502 -7.222 5.176 1.00 0.00 O ATOM 1120 CB PHE A 73 5.619 -6.305 2.598 1.00 0.00 C ATOM 1121 CG PHE A 73 7.100 -6.087 2.801 1.00 0.00 C ATOM 1122 CD1 PHE A 73 8.007 -7.114 3.043 1.00 0.00 C ATOM 1123 CD2 PHE A 73 7.578 -4.763 2.739 1.00 0.00 C ATOM 1124 CE1 PHE A 73 9.388 -6.868 3.229 1.00 0.00 C ATOM 1125 CE2 PHE A 73 8.936 -4.489 2.915 1.00 0.00 C ATOM 1126 CZ PHE A 73 9.821 -5.544 3.159 1.00 0.00 C ATOM 0 H PHE A 73 3.194 -7.136 2.501 1.00 0.00 H new ATOM 0 HA PHE A 73 5.797 -8.355 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.355 -6.063 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.061 -5.623 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.646 -8.131 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.888 -3.953 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.081 -7.675 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.299 -3.473 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.870 -5.327 3.297 1.00 0.00 H new ATOM 1136 N LYS A 74 5.666 -9.379 4.627 1.00 0.00 N ATOM 1137 CA LYS A 74 5.948 -9.839 6.010 1.00 0.00 C ATOM 1138 C LYS A 74 7.189 -9.048 6.483 1.00 0.00 C ATOM 1139 O LYS A 74 8.311 -9.468 6.285 1.00 0.00 O ATOM 1140 CB LYS A 74 6.261 -11.331 6.084 1.00 0.00 C ATOM 1141 CG LYS A 74 7.166 -11.703 4.917 1.00 0.00 C ATOM 1142 CD LYS A 74 8.453 -12.383 5.439 1.00 0.00 C ATOM 1143 CE LYS A 74 9.226 -13.052 4.317 1.00 0.00 C ATOM 1144 NZ LYS A 74 10.643 -13.197 4.782 1.00 0.00 N ATOM 0 H LYS A 74 5.633 -10.119 3.926 1.00 0.00 H new ATOM 0 HA LYS A 74 5.068 -9.671 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.749 -11.567 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.339 -11.912 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.640 -12.375 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.423 -10.810 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.086 -11.641 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.193 -13.124 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.797 -14.026 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.179 -12.454 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.208 -13.654 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.038 -12.258 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.668 -13.781 5.642 1.00 0.00 H new ATOM 1158 N ILE A 75 6.940 -7.928 7.090 1.00 0.00 N ATOM 1159 CA ILE A 75 7.991 -7.018 7.617 1.00 0.00 C ATOM 1160 C ILE A 75 8.937 -7.878 8.484 1.00 0.00 C ATOM 1161 O ILE A 75 10.109 -7.607 8.508 1.00 0.00 O ATOM 1162 CB ILE A 75 7.321 -5.914 8.420 1.00 0.00 C ATOM 1163 CG1 ILE A 75 7.290 -4.657 7.518 1.00 0.00 C ATOM 1164 CG2 ILE A 75 8.103 -5.519 9.670 1.00 0.00 C ATOM 1165 CD1 ILE A 75 6.515 -4.908 6.228 1.00 0.00 C ATOM 0 H ILE A 75 5.992 -7.587 7.252 1.00 0.00 H new ATOM 0 HA ILE A 75 8.568 -6.541 6.825 1.00 0.00 H new ATOM 0 HB ILE A 75 6.340 -6.277 8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.834 -3.830 8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.310 -4.356 7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.571 -4.727 10.197 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.205 -6.385 10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.092 -5.162 9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.515 -4.003 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.987 -5.718 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.488 -5.183 6.468 1.00 0.00 H new ATOM 1177 N THR A 76 8.365 -8.850 9.125 1.00 0.00 N ATOM 1178 CA THR A 76 9.175 -9.742 9.988 1.00 0.00 C ATOM 1179 C THR A 76 8.703 -11.194 9.730 1.00 0.00 C ATOM 1180 O THR A 76 9.513 -12.052 9.418 1.00 0.00 O ATOM 1181 CB THR A 76 8.946 -9.429 11.486 1.00 0.00 C ATOM 1182 OG1 THR A 76 9.228 -8.061 11.670 1.00 0.00 O ATOM 1183 CG2 THR A 76 9.882 -10.291 12.353 1.00 0.00 C ATOM 0 H THR A 76 7.369 -9.066 9.089 1.00 0.00 H new ATOM 0 HA THR A 76 10.231 -9.601 9.756 1.00 0.00 H new ATOM 0 HB THR A 76 7.921 -9.653 11.780 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.092 -7.823 12.611 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.714 -10.064 13.406 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.677 -11.346 12.172 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.919 -10.074 12.096 1.00 0.00 H new ATOM 1191 N GLN A 77 7.436 -11.374 9.875 1.00 0.00 N ATOM 1192 CA GLN A 77 6.754 -12.705 9.701 1.00 0.00 C ATOM 1193 C GLN A 77 5.413 -12.587 10.468 1.00 0.00 C ATOM 1194 O GLN A 77 4.352 -12.959 9.991 1.00 0.00 O ATOM 1195 CB GLN A 77 7.656 -13.754 10.310 1.00 0.00 C ATOM 1196 CG GLN A 77 6.787 -14.694 11.144 1.00 0.00 C ATOM 1197 CD GLN A 77 7.514 -16.039 11.348 1.00 0.00 C ATOM 1198 OE1 GLN A 77 6.985 -17.076 11.021 1.00 0.00 O ATOM 1199 NE2 GLN A 77 8.699 -16.004 11.886 1.00 0.00 N ATOM 0 H GLN A 77 6.795 -10.620 10.121 1.00 0.00 H new ATOM 0 HA GLN A 77 6.565 -12.978 8.663 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.177 -14.308 9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.419 -13.286 10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.568 -14.239 12.110 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.832 -14.859 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.113 -15.110 12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.213 -16.871 12.044 1.00 0.00 H new ATOM 1208 N ASN A 78 5.536 -12.052 11.647 1.00 0.00 N ATOM 1209 CA ASN A 78 4.371 -11.821 12.569 1.00 0.00 C ATOM 1210 C ASN A 78 3.840 -10.413 12.202 1.00 0.00 C ATOM 1211 O ASN A 78 2.679 -10.108 12.282 1.00 0.00 O ATOM 1212 CB ASN A 78 4.866 -11.882 14.005 1.00 0.00 C ATOM 1213 CG ASN A 78 4.589 -10.567 14.751 1.00 0.00 C ATOM 1214 OD1 ASN A 78 5.273 -9.601 14.519 1.00 0.00 O ATOM 1215 ND2 ASN A 78 3.619 -10.539 15.607 1.00 0.00 N ATOM 0 H ASN A 78 6.431 -11.750 12.033 1.00 0.00 H new ATOM 0 HA ASN A 78 3.582 -12.566 12.471 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.378 -12.706 14.525 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.936 -12.088 14.014 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.410 -9.678 16.113 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.063 -11.377 15.775 1.00 0.00 H new ATOM 1222 N ASN A 79 4.787 -9.609 11.791 1.00 0.00 N ATOM 1223 CA ASN A 79 4.523 -8.193 11.352 1.00 0.00 C ATOM 1224 C ASN A 79 4.486 -8.244 9.805 1.00 0.00 C ATOM 1225 O ASN A 79 5.464 -8.634 9.221 1.00 0.00 O ATOM 1226 CB ASN A 79 5.634 -7.286 11.835 1.00 0.00 C ATOM 1227 CG ASN A 79 5.427 -6.959 13.328 1.00 0.00 C ATOM 1228 OD1 ASN A 79 4.362 -6.598 13.778 1.00 0.00 O ATOM 1229 ND2 ASN A 79 6.470 -7.092 14.094 1.00 0.00 N ATOM 0 H ASN A 79 5.769 -9.881 11.738 1.00 0.00 H new ATOM 0 HA ASN A 79 3.592 -7.800 11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.600 -7.769 11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.646 -6.366 11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 79 6.399 -6.891 15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.359 -7.397 13.697 1.00 0.00 H new ATOM 1236 N ALA A 80 3.376 -7.861 9.267 1.00 0.00 N ATOM 1237 CA ALA A 80 3.147 -7.850 7.780 1.00 0.00 C ATOM 1238 C ALA A 80 2.685 -6.423 7.445 1.00 0.00 C ATOM 1239 O ALA A 80 1.940 -5.854 8.198 1.00 0.00 O ATOM 1240 CB ALA A 80 2.066 -8.848 7.387 1.00 0.00 C ATOM 0 H ALA A 80 2.574 -7.538 9.809 1.00 0.00 H new ATOM 0 HA ALA A 80 4.052 -8.130 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.920 -8.820 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.371 -9.851 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.132 -8.588 7.886 1.00 0.00 H new ATOM 1246 N MET A 81 3.158 -5.929 6.349 1.00 0.00 N ATOM 1247 CA MET A 81 2.786 -4.533 5.924 1.00 0.00 C ATOM 1248 C MET A 81 1.290 -4.300 5.972 1.00 0.00 C ATOM 1249 O MET A 81 0.549 -5.211 5.647 1.00 0.00 O ATOM 1250 CB MET A 81 3.342 -4.393 4.489 1.00 0.00 C ATOM 1251 CG MET A 81 2.633 -3.318 3.696 1.00 0.00 C ATOM 1252 SD MET A 81 2.620 -3.818 1.937 1.00 0.00 S ATOM 1253 CE MET A 81 4.350 -3.368 1.655 1.00 0.00 C ATOM 0 H MET A 81 3.789 -6.420 5.716 1.00 0.00 H new ATOM 0 HA MET A 81 3.203 -3.785 6.598 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.406 -4.163 4.536 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.245 -5.347 3.970 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.614 -3.186 4.061 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.141 -2.361 3.815 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.793 -4.057 0.936 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.403 -2.352 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.898 -3.423 2.596 1.00 0.00 H new ATOM 1263 N LYS A 82 0.770 -3.131 6.319 1.00 0.00 N ATOM 1264 CA LYS A 82 -0.683 -2.868 6.298 1.00 0.00 C ATOM 1265 C LYS A 82 -0.896 -1.580 5.442 1.00 0.00 C ATOM 1266 O LYS A 82 -0.416 -0.553 5.859 1.00 0.00 O ATOM 1267 CB LYS A 82 -1.284 -2.787 7.700 1.00 0.00 C ATOM 1268 CG LYS A 82 -0.969 -4.100 8.457 1.00 0.00 C ATOM 1269 CD LYS A 82 -2.225 -4.949 8.498 1.00 0.00 C ATOM 1270 CE LYS A 82 -2.743 -5.208 7.080 1.00 0.00 C ATOM 1271 NZ LYS A 82 -4.041 -5.906 7.209 1.00 0.00 N ATOM 0 H LYS A 82 1.330 -2.335 6.623 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.222 -3.699 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.872 -1.933 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.362 -2.636 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.164 -4.640 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.628 -3.881 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.015 -5.897 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.993 -4.446 9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.863 -4.271 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.034 -5.815 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.426 -6.100 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.904 -6.803 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.707 -5.307 7.737 1.00 0.00 H new ATOM 1285 N ILE A 83 -1.552 -1.833 4.339 1.00 0.00 N ATOM 1286 CA ILE A 83 -1.857 -0.891 3.240 1.00 0.00 C ATOM 1287 C ILE A 83 -3.395 -0.979 3.049 1.00 0.00 C ATOM 1288 O ILE A 83 -3.940 -2.028 2.827 1.00 0.00 O ATOM 1289 CB ILE A 83 -1.094 -1.370 1.976 1.00 0.00 C ATOM 1290 CG1 ILE A 83 0.224 -0.600 1.828 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -1.932 -1.146 0.719 1.00 0.00 C ATOM 1292 CD1 ILE A 83 0.972 -1.217 0.640 1.00 0.00 C ATOM 0 H ILE A 83 -1.923 -2.764 4.151 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.556 0.138 3.440 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.893 -2.435 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.035 0.460 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.818 -0.674 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.377 -1.489 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.864 -1.705 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.153 -0.084 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.920 -0.698 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.162 -2.272 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.366 -1.121 -0.261 1.00 0.00 H new ATOM 1304 N SER A 84 -3.961 0.161 3.215 1.00 0.00 N ATOM 1305 CA SER A 84 -5.449 0.416 3.210 1.00 0.00 C ATOM 1306 C SER A 84 -5.821 1.245 1.981 1.00 0.00 C ATOM 1307 O SER A 84 -5.611 2.422 1.963 1.00 0.00 O ATOM 1308 CB SER A 84 -5.908 1.071 4.510 1.00 0.00 C ATOM 1309 OG SER A 84 -6.375 2.392 4.334 1.00 0.00 O ATOM 0 H SER A 84 -3.421 1.012 3.369 1.00 0.00 H new ATOM 0 HA SER A 84 -5.974 -0.538 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.701 0.468 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.080 1.077 5.218 1.00 0.00 H new ATOM 0 HG SER A 84 -5.790 2.865 3.705 1.00 0.00 H new ATOM 1315 N PHE A 85 -6.344 0.585 1.009 1.00 0.00 N ATOM 1316 CA PHE A 85 -6.806 1.254 -0.249 1.00 0.00 C ATOM 1317 C PHE A 85 -7.693 2.417 0.148 1.00 0.00 C ATOM 1318 O PHE A 85 -8.168 2.493 1.275 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.733 0.266 -0.997 1.00 0.00 C ATOM 1320 CG PHE A 85 -6.928 -0.706 -1.804 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.600 -0.341 -3.117 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.543 -1.917 -1.232 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.847 -1.255 -3.859 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -5.795 -2.814 -1.993 1.00 0.00 C ATOM 1325 CZ PHE A 85 -5.433 -2.496 -3.318 1.00 0.00 C ATOM 0 H PHE A 85 -6.482 -0.426 1.020 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.952 1.564 -0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.352 -0.273 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.409 0.817 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.915 0.603 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.820 -2.157 -0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.573 -1.008 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.491 -3.758 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.850 -3.187 -3.910 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.970 3.354 -0.693 1.00 0.00 N ATOM 1336 CA ALA A 86 -8.844 4.485 -0.241 1.00 0.00 C ATOM 1337 C ALA A 86 -10.270 3.958 -0.253 1.00 0.00 C ATOM 1338 O ALA A 86 -11.042 4.432 -1.058 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.725 5.667 -1.211 1.00 0.00 C ATOM 0 H ALA A 86 -7.644 3.401 -1.658 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.552 4.833 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.364 6.482 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.690 6.008 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.036 5.353 -2.207 1.00 0.00 H new ATOM 1345 N LYS A 87 -10.555 3.022 0.615 1.00 0.00 N ATOM 1346 CA LYS A 87 -11.918 2.402 0.730 1.00 0.00 C ATOM 1347 C LYS A 87 -12.932 3.551 0.744 1.00 0.00 C ATOM 1348 O LYS A 87 -12.930 4.426 1.577 1.00 0.00 O ATOM 1349 CB LYS A 87 -12.045 1.488 1.940 1.00 0.00 C ATOM 1350 CG LYS A 87 -12.282 2.268 3.241 1.00 0.00 C ATOM 1351 CD LYS A 87 -12.440 1.232 4.362 1.00 0.00 C ATOM 1352 CE LYS A 87 -11.962 1.825 5.685 1.00 0.00 C ATOM 1353 NZ LYS A 87 -13.127 2.250 6.533 1.00 0.00 N ATOM 0 H LYS A 87 -9.875 2.646 1.275 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.108 1.746 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.869 0.792 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.138 0.891 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.446 2.936 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.174 2.889 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.484 0.929 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.865 0.336 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.364 1.089 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.316 2.681 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.778 2.650 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.682 2.968 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.729 1.426 6.734 1.00 0.00 H new ATOM 1367 N LYS A 88 -13.794 3.491 -0.247 1.00 0.00 N ATOM 1368 CA LYS A 88 -14.839 4.544 -0.375 1.00 0.00 C ATOM 1369 C LYS A 88 -16.045 3.990 -1.120 1.00 0.00 C ATOM 1370 O LYS A 88 -16.002 2.800 -1.388 1.00 0.00 O ATOM 1371 CB LYS A 88 -14.214 5.721 -1.162 1.00 0.00 C ATOM 1372 CG LYS A 88 -13.797 5.302 -2.573 1.00 0.00 C ATOM 1373 CD LYS A 88 -12.940 6.428 -3.151 1.00 0.00 C ATOM 1374 CE LYS A 88 -13.330 6.709 -4.609 1.00 0.00 C ATOM 1375 NZ LYS A 88 -13.744 8.134 -4.711 1.00 0.00 N ATOM 1376 OXT LYS A 88 -16.956 4.770 -1.393 1.00 0.00 O ATOM 0 H LYS A 88 -13.815 2.764 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 88 -15.176 4.878 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.931 6.539 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.345 6.098 -0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.236 4.368 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.674 5.129 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.066 7.331 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.886 6.155 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.489 6.509 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.144 6.053 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.013 8.348 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.556 8.305 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.953 8.747 -4.428 1.00 0.00 H new TER 1390 LYS A 88