USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 752 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 51 GLN : amide:sc= -3.37! C(o=-3.2!,f=-3!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -141:sc= 0.12 (180deg=0) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -2.9! X(o=-2.9!,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -4.56! C(o=-4.6!,f=-5.2!) USER MOD Single : A 9 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 12 GLN : amide:sc= -6.75! C(o=-6.8!,f=-7.3!) USER MOD Single : A 16 MET CE :methyl 159:sc= 0 (180deg=-0.257) USER MOD Single : A 20 SER OG : rot 73:sc= 0.265 USER MOD Single : A 22 GLN : amide:sc= -0.97 X(o=-0.97,f=-0.86) USER MOD Single : A 25 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.0564 F(o=-0.97,f=-0.056) USER MOD Single : A 34 GLN : amide:sc= -5.86! C(o=-5.9!,f=-8.9!) USER MOD Single : A 45 MET CE :methyl -159:sc= -0.108 (180deg=-0.33) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 0.0231 (180deg=-0.314) USER MOD Single : A 52 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.075) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.446 USER MOD Single : A 59 MET CE :methyl -175:sc= 0 (180deg=-0.0594) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.8) USER MOD Single : A 68 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.638 USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.0138 (180deg=-0.173) USER MOD Single : A 87 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1) USER MOD Single : A 92 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 93 HIS : no HD1:sc= 0.00689 X(o=0.0069,f=-0.37) USER MOD Single : A 94 HIS : no HD1:sc= 0.00198 X(o=0.002,f=-0.26) USER MOD Single : A 95 HIS : no HD1:sc= -0.0496 K(o=-0.05,f=-4.4!) USER MOD Single : A 96 HIS : no HD1:sc= -0.06 X(o=-0.06,f=-0.46) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 3.434 -0.676 -1.067 1.00 0.00 C ATOM 4 O MET A 1 3.646 -1.789 -1.546 1.00 0.00 O ATOM 5 CB MET A 1 2.277 1.441 -1.719 1.00 0.00 C ATOM 6 CG MET A 1 1.717 1.638 -3.129 1.00 0.00 C ATOM 7 SD MET A 1 -0.046 1.907 -3.055 1.00 0.00 S ATOM 8 CE MET A 1 -0.086 3.691 -3.008 1.00 0.00 C ATOM 0 H1 MET A 1 0.406 0.464 -0.147 1.00 0.00 H new ATOM 0 H2 MET A 1 1.172 -0.980 0.313 1.00 0.00 H new ATOM 0 H3 MET A 1 1.861 0.516 0.727 1.00 0.00 H new ATOM 0 HA MET A 1 1.505 -0.559 -1.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.786 2.128 -1.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.339 1.684 -1.708 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.203 2.489 -3.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.934 0.762 -3.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.121 4.031 -2.960 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.453 4.044 -2.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.385 4.089 -3.907 1.00 0.00 H new ATOM 18 N ILE A 2 4.322 0.026 -0.378 1.00 0.00 N ATOM 19 CA ILE A 2 5.657 -0.493 -0.131 1.00 0.00 C ATOM 20 C ILE A 2 6.317 0.321 0.984 1.00 0.00 C ATOM 21 O ILE A 2 5.750 1.305 1.458 1.00 0.00 O ATOM 22 CB ILE A 2 6.467 -0.528 -1.428 1.00 0.00 C ATOM 23 CG1 ILE A 2 7.447 -1.703 -1.431 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.172 0.808 -1.671 1.00 0.00 C ATOM 25 CD1 ILE A 2 7.372 -2.476 -2.749 1.00 0.00 C ATOM 0 H ILE A 2 4.143 0.949 0.017 1.00 0.00 H new ATOM 0 HA ILE A 2 5.606 -1.526 0.214 1.00 0.00 H new ATOM 0 HB ILE A 2 5.777 -0.683 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.462 -1.335 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.222 -2.371 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.741 0.756 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.430 1.603 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.848 1.018 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.078 -3.306 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.362 -2.863 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.622 -1.811 -3.576 1.00 0.00 H new ATOM 37 N GLU A 3 7.505 -0.120 1.371 1.00 0.00 N ATOM 38 CA GLU A 3 8.248 0.556 2.421 1.00 0.00 C ATOM 39 C GLU A 3 9.694 0.793 1.980 1.00 0.00 C ATOM 40 O GLU A 3 10.388 -0.142 1.585 1.00 0.00 O ATOM 41 CB GLU A 3 8.197 -0.240 3.727 1.00 0.00 C ATOM 42 CG GLU A 3 6.771 -0.702 4.032 1.00 0.00 C ATOM 43 CD GLU A 3 6.128 0.177 5.106 1.00 0.00 C ATOM 44 OE1 GLU A 3 6.316 -0.073 6.306 1.00 0.00 O ATOM 45 OE2 GLU A 3 5.411 1.150 4.657 1.00 0.00 O ATOM 0 H GLU A 3 7.971 -0.937 0.976 1.00 0.00 H new ATOM 0 HA GLU A 3 7.781 1.524 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.856 -1.105 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.567 0.376 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.172 -0.668 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.785 -1.739 4.366 1.00 0.00 H new ATOM 53 N ASP A 4 10.104 2.050 2.061 1.00 0.00 N ATOM 54 CA ASP A 4 11.455 2.423 1.675 1.00 0.00 C ATOM 55 C ASP A 4 11.971 3.508 2.623 1.00 0.00 C ATOM 56 O ASP A 4 11.203 4.074 3.400 1.00 0.00 O ATOM 57 CB ASP A 4 11.486 2.984 0.252 1.00 0.00 C ATOM 58 CG ASP A 4 12.389 2.226 -0.722 1.00 0.00 C ATOM 59 OD1 ASP A 4 13.124 2.833 -1.516 1.00 0.00 O ATOM 60 OD2 ASP A 4 12.318 0.940 -0.645 1.00 0.00 O ATOM 0 H ASP A 4 9.525 2.823 2.388 1.00 0.00 H new ATOM 0 HA ASP A 4 12.078 1.530 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.470 2.986 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.813 4.023 0.294 1.00 0.00 H new ATOM 66 N PRO A 5 13.301 3.771 2.525 1.00 0.00 N ATOM 67 CA PRO A 5 13.928 4.778 3.364 1.00 0.00 C ATOM 68 C PRO A 5 13.579 6.188 2.883 1.00 0.00 C ATOM 69 O PRO A 5 13.299 6.394 1.703 1.00 0.00 O ATOM 70 CB PRO A 5 15.417 4.478 3.292 1.00 0.00 C ATOM 71 CG PRO A 5 15.609 3.613 2.057 1.00 0.00 C ATOM 72 CD PRO A 5 14.240 3.120 1.616 1.00 0.00 C ATOM 0 HA PRO A 5 13.577 4.744 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.998 5.398 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.755 3.959 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.084 4.185 1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.265 2.771 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.038 3.388 0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.169 2.034 1.684 1.00 0.00 H new ATOM 80 N MET A 6 13.605 7.122 3.822 1.00 0.00 N ATOM 81 CA MET A 6 13.294 8.507 3.509 1.00 0.00 C ATOM 82 C MET A 6 13.067 9.320 4.785 1.00 0.00 C ATOM 83 O MET A 6 12.020 9.206 5.420 1.00 0.00 O ATOM 84 CB MET A 6 12.038 8.564 2.637 1.00 0.00 C ATOM 85 CG MET A 6 12.354 9.149 1.259 1.00 0.00 C ATOM 86 SD MET A 6 10.888 9.137 0.241 1.00 0.00 S ATOM 87 CE MET A 6 11.568 8.484 -1.275 1.00 0.00 C ATOM 0 H MET A 6 13.837 6.947 4.800 1.00 0.00 H new ATOM 0 HA MET A 6 14.140 8.937 2.972 1.00 0.00 H new ATOM 0 HB2 MET A 6 11.623 7.562 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.277 9.171 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.726 10.168 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 6 13.144 8.569 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.780 8.410 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.353 9.148 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.986 7.495 -1.090 1.00 0.00 H new ATOM 97 N GLU A 7 14.066 10.123 5.123 1.00 0.00 N ATOM 98 CA GLU A 7 13.988 10.955 6.311 1.00 0.00 C ATOM 99 C GLU A 7 12.817 11.933 6.199 1.00 0.00 C ATOM 100 O GLU A 7 11.752 11.577 5.697 1.00 0.00 O ATOM 101 CB GLU A 7 15.304 11.699 6.546 1.00 0.00 C ATOM 102 CG GLU A 7 15.518 12.783 5.487 1.00 0.00 C ATOM 103 CD GLU A 7 15.966 14.097 6.130 1.00 0.00 C ATOM 104 OE1 GLU A 7 16.485 14.091 7.255 1.00 0.00 O ATOM 105 OE2 GLU A 7 15.759 15.151 5.416 1.00 0.00 O ATOM 0 H GLU A 7 14.934 10.215 4.594 1.00 0.00 H new ATOM 0 HA GLU A 7 13.815 10.310 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.298 12.151 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.134 10.993 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.268 12.451 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.593 12.942 4.932 1.00 0.00 H new ATOM 113 N ASN A 8 13.053 13.146 6.676 1.00 0.00 N ATOM 114 CA ASN A 8 12.031 14.178 6.636 1.00 0.00 C ATOM 115 C ASN A 8 11.110 14.025 7.848 1.00 0.00 C ATOM 116 O ASN A 8 10.247 14.868 8.087 1.00 0.00 O ATOM 117 CB ASN A 8 11.175 14.056 5.374 1.00 0.00 C ATOM 118 CG ASN A 8 12.033 13.683 4.163 1.00 0.00 C ATOM 119 OD1 ASN A 8 13.094 14.237 3.927 1.00 0.00 O ATOM 120 ND2 ASN A 8 11.516 12.715 3.411 1.00 0.00 N ATOM 0 H ASN A 8 13.937 13.438 7.092 1.00 0.00 H new ATOM 0 HA ASN A 8 12.530 15.147 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.404 13.300 5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.663 15.000 5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.013 12.394 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.623 12.293 3.666 1.00 0.00 H new ATOM 127 N ASN A 9 11.326 12.943 8.582 1.00 0.00 N ATOM 128 CA ASN A 9 10.526 12.669 9.764 1.00 0.00 C ATOM 129 C ASN A 9 10.766 13.767 10.803 1.00 0.00 C ATOM 130 O ASN A 9 9.909 14.026 11.647 1.00 0.00 O ATOM 131 CB ASN A 9 10.914 11.330 10.394 1.00 0.00 C ATOM 132 CG ASN A 9 9.829 10.840 11.354 1.00 0.00 C ATOM 133 OD1 ASN A 9 8.970 10.046 11.007 1.00 0.00 O ATOM 134 ND2 ASN A 9 9.914 11.357 12.576 1.00 0.00 N ATOM 0 H ASN A 9 12.043 12.246 8.381 1.00 0.00 H new ATOM 0 HA ASN A 9 9.479 12.636 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.073 10.589 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.857 11.436 10.930 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.234 11.094 13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.659 12.017 12.800 1.00 0.00 H new ATOM 141 N GLU A 10 11.935 14.383 10.706 1.00 0.00 N ATOM 142 CA GLU A 10 12.298 15.447 11.627 1.00 0.00 C ATOM 143 C GLU A 10 11.384 16.658 11.426 1.00 0.00 C ATOM 144 O GLU A 10 10.572 16.978 12.293 1.00 0.00 O ATOM 145 CB GLU A 10 13.768 15.837 11.462 1.00 0.00 C ATOM 146 CG GLU A 10 14.406 16.157 12.816 1.00 0.00 C ATOM 147 CD GLU A 10 15.915 15.910 12.783 1.00 0.00 C ATOM 148 OE1 GLU A 10 16.682 16.807 12.404 1.00 0.00 O ATOM 149 OE2 GLU A 10 16.284 14.736 13.170 1.00 0.00 O ATOM 0 H GLU A 10 12.643 14.166 10.004 1.00 0.00 H new ATOM 0 HA GLU A 10 12.165 15.081 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.312 15.023 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.847 16.703 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.210 17.197 13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.950 15.541 13.591 1.00 0.00 H new ATOM 157 N ILE A 11 11.548 17.299 10.278 1.00 0.00 N ATOM 158 CA ILE A 11 10.748 18.467 9.952 1.00 0.00 C ATOM 159 C ILE A 11 9.271 18.154 10.200 1.00 0.00 C ATOM 160 O ILE A 11 8.480 19.053 10.481 1.00 0.00 O ATOM 161 CB ILE A 11 11.045 18.940 8.528 1.00 0.00 C ATOM 162 CG1 ILE A 11 10.818 17.815 7.517 1.00 0.00 C ATOM 163 CG2 ILE A 11 12.456 19.524 8.428 1.00 0.00 C ATOM 164 CD1 ILE A 11 11.001 18.319 6.084 1.00 0.00 C ATOM 0 H ILE A 11 12.223 17.031 9.562 1.00 0.00 H new ATOM 0 HA ILE A 11 11.011 19.302 10.602 1.00 0.00 H new ATOM 0 HB ILE A 11 10.346 19.740 8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.516 17.000 7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.813 17.410 7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.642 19.853 7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.547 20.374 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.185 18.762 8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.834 17.499 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.285 19.117 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.014 18.701 5.959 1.00 0.00 H new ATOM 176 N GLN A 12 8.943 16.875 10.086 1.00 0.00 N ATOM 177 CA GLN A 12 7.575 16.432 10.294 1.00 0.00 C ATOM 178 C GLN A 12 7.242 16.420 11.787 1.00 0.00 C ATOM 179 O GLN A 12 6.193 16.914 12.197 1.00 0.00 O ATOM 180 CB GLN A 12 7.344 15.054 9.670 1.00 0.00 C ATOM 181 CG GLN A 12 5.885 14.883 9.242 1.00 0.00 C ATOM 182 CD GLN A 12 5.457 13.417 9.324 1.00 0.00 C ATOM 183 OE1 GLN A 12 5.668 12.630 8.416 1.00 0.00 O ATOM 184 NE2 GLN A 12 4.846 13.094 10.461 1.00 0.00 N ATOM 0 H GLN A 12 9.601 16.132 9.852 1.00 0.00 H new ATOM 0 HA GLN A 12 6.907 17.136 9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.997 14.928 8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.610 14.277 10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.242 15.489 9.880 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.757 15.246 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.701 13.802 11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.523 12.139 10.613 1.00 0.00 H new ATOM 193 N SER A 13 8.155 15.849 12.560 1.00 0.00 N ATOM 194 CA SER A 13 7.971 15.766 13.999 1.00 0.00 C ATOM 195 C SER A 13 7.838 17.171 14.591 1.00 0.00 C ATOM 196 O SER A 13 7.189 17.355 15.620 1.00 0.00 O ATOM 197 CB SER A 13 9.132 15.020 14.660 1.00 0.00 C ATOM 198 OG SER A 13 8.874 14.740 16.033 1.00 0.00 O ATOM 0 H SER A 13 9.024 15.440 12.217 1.00 0.00 H new ATOM 0 HA SER A 13 7.056 15.207 14.196 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.313 14.086 14.127 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.041 15.616 14.576 1.00 0.00 H new ATOM 0 HG SER A 13 9.638 14.262 16.419 1.00 0.00 H new ATOM 204 N VAL A 14 8.463 18.125 13.917 1.00 0.00 N ATOM 205 CA VAL A 14 8.422 19.507 14.363 1.00 0.00 C ATOM 206 C VAL A 14 7.076 20.123 13.977 1.00 0.00 C ATOM 207 O VAL A 14 6.425 20.766 14.799 1.00 0.00 O ATOM 208 CB VAL A 14 9.617 20.276 13.796 1.00 0.00 C ATOM 209 CG1 VAL A 14 9.587 21.740 14.239 1.00 0.00 C ATOM 210 CG2 VAL A 14 10.936 19.609 14.191 1.00 0.00 C ATOM 0 H VAL A 14 9.001 17.968 13.065 1.00 0.00 H new ATOM 0 HA VAL A 14 8.504 19.561 15.449 1.00 0.00 H new ATOM 0 HB VAL A 14 9.544 20.254 12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.447 22.264 13.822 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.669 22.209 13.884 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.623 21.792 15.327 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.769 20.176 13.775 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.020 19.584 15.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.960 18.591 13.802 1.00 0.00 H new ATOM 220 N LEU A 15 6.699 19.906 12.726 1.00 0.00 N ATOM 221 CA LEU A 15 5.442 20.432 12.221 1.00 0.00 C ATOM 222 C LEU A 15 4.299 19.968 13.125 1.00 0.00 C ATOM 223 O LEU A 15 3.465 20.771 13.540 1.00 0.00 O ATOM 224 CB LEU A 15 5.255 20.054 10.750 1.00 0.00 C ATOM 225 CG LEU A 15 3.833 20.182 10.200 1.00 0.00 C ATOM 226 CD1 LEU A 15 3.466 21.648 9.965 1.00 0.00 C ATOM 227 CD2 LEU A 15 3.656 19.337 8.937 1.00 0.00 C ATOM 0 H LEU A 15 7.242 19.373 12.047 1.00 0.00 H new ATOM 0 HA LEU A 15 5.447 21.522 12.248 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.914 20.680 10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.584 19.024 10.616 1.00 0.00 H new ATOM 0 HG LEU A 15 3.141 19.793 10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.450 21.711 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.527 22.194 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.159 22.086 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.637 19.446 8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.358 19.673 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.847 18.290 9.170 1.00 0.00 H new ATOM 239 N MET A 16 4.297 18.673 13.405 1.00 0.00 N ATOM 240 CA MET A 16 3.270 18.091 14.252 1.00 0.00 C ATOM 241 C MET A 16 3.454 18.521 15.709 1.00 0.00 C ATOM 242 O MET A 16 2.481 18.824 16.398 1.00 0.00 O ATOM 243 CB MET A 16 3.333 16.566 14.158 1.00 0.00 C ATOM 244 CG MET A 16 2.524 16.056 12.965 1.00 0.00 C ATOM 245 SD MET A 16 2.588 14.273 12.900 1.00 0.00 S ATOM 246 CE MET A 16 1.458 13.971 11.551 1.00 0.00 C ATOM 0 H MET A 16 4.991 18.010 13.060 1.00 0.00 H new ATOM 0 HA MET A 16 2.298 18.444 13.908 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.371 16.247 14.061 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.948 16.125 15.078 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.489 16.388 13.048 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.920 16.476 12.040 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.650 12.984 11.130 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.433 14.016 11.918 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.601 14.728 10.780 1.00 0.00 H new ATOM 256 N ASN A 17 4.709 18.535 16.135 1.00 0.00 N ATOM 257 CA ASN A 17 5.032 18.923 17.497 1.00 0.00 C ATOM 258 C ASN A 17 4.414 20.290 17.794 1.00 0.00 C ATOM 259 O ASN A 17 4.017 20.564 18.926 1.00 0.00 O ATOM 260 CB ASN A 17 6.546 19.036 17.693 1.00 0.00 C ATOM 261 CG ASN A 17 7.115 17.757 18.311 1.00 0.00 C ATOM 262 OD1 ASN A 17 6.507 17.120 19.155 1.00 0.00 O ATOM 263 ND2 ASN A 17 8.314 17.419 17.845 1.00 0.00 N ATOM 0 H ASN A 17 5.514 18.284 15.561 1.00 0.00 H new ATOM 0 HA ASN A 17 4.637 18.160 18.167 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.027 19.226 16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.771 19.887 18.337 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.780 16.582 18.195 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.768 17.997 17.138 1.00 0.00 H new ATOM 270 N ALA A 18 4.351 21.113 16.758 1.00 0.00 N ATOM 271 CA ALA A 18 3.788 22.446 16.894 1.00 0.00 C ATOM 272 C ALA A 18 2.264 22.343 16.987 1.00 0.00 C ATOM 273 O ALA A 18 1.650 22.953 17.861 1.00 0.00 O ATOM 274 CB ALA A 18 4.243 23.315 15.719 1.00 0.00 C ATOM 0 H ALA A 18 4.680 20.883 15.821 1.00 0.00 H new ATOM 0 HA ALA A 18 4.143 22.922 17.808 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.821 24.315 15.821 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.331 23.379 15.714 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.902 22.871 14.784 1.00 0.00 H new ATOM 280 N LEU A 19 1.698 21.568 16.074 1.00 0.00 N ATOM 281 CA LEU A 19 0.258 21.378 16.043 1.00 0.00 C ATOM 282 C LEU A 19 -0.064 20.065 15.326 1.00 0.00 C ATOM 283 O LEU A 19 0.182 18.985 15.862 1.00 0.00 O ATOM 284 CB LEU A 19 -0.431 22.598 15.428 1.00 0.00 C ATOM 285 CG LEU A 19 -0.627 23.797 16.358 1.00 0.00 C ATOM 286 CD1 LEU A 19 0.375 24.908 16.039 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.072 24.297 16.311 1.00 0.00 C ATOM 0 H LEU A 19 2.211 21.064 15.350 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.136 21.294 17.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.151 22.923 14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.408 22.289 15.055 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.432 23.472 17.380 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.214 25.748 16.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.390 24.530 16.165 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.236 25.238 15.010 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.184 25.149 16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.319 24.600 15.294 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.744 23.498 16.625 1.00 0.00 H new ATOM 299 N SER A 20 -0.608 20.200 14.126 1.00 0.00 N ATOM 300 CA SER A 20 -0.965 19.038 13.330 1.00 0.00 C ATOM 301 C SER A 20 -1.945 19.441 12.227 1.00 0.00 C ATOM 302 O SER A 20 -2.112 20.626 11.941 1.00 0.00 O ATOM 303 CB SER A 20 -1.572 17.938 14.204 1.00 0.00 C ATOM 304 OG SER A 20 -0.689 16.831 14.358 1.00 0.00 O ATOM 0 H SER A 20 -0.811 21.097 13.685 1.00 0.00 H new ATOM 0 HA SER A 20 -0.057 18.643 12.874 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.815 18.347 15.185 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.507 17.597 13.760 1.00 0.00 H new ATOM 0 HG SER A 20 0.048 17.081 14.953 1.00 0.00 H new ATOM 310 N LEU A 21 -2.569 18.432 11.636 1.00 0.00 N ATOM 311 CA LEU A 21 -3.528 18.666 10.570 1.00 0.00 C ATOM 312 C LEU A 21 -4.056 17.323 10.061 1.00 0.00 C ATOM 313 O LEU A 21 -5.258 17.160 9.862 1.00 0.00 O ATOM 314 CB LEU A 21 -2.911 19.539 9.476 1.00 0.00 C ATOM 315 CG LEU A 21 -3.762 20.718 9.000 1.00 0.00 C ATOM 316 CD1 LEU A 21 -3.209 22.043 9.530 1.00 0.00 C ATOM 317 CD2 LEU A 21 -3.890 20.721 7.475 1.00 0.00 C ATOM 0 H LEU A 21 -2.429 17.450 11.876 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.386 19.225 10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.960 19.927 9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.688 18.907 8.617 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.766 20.601 9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.832 22.865 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.211 22.028 10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.189 22.181 9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.500 21.569 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.900 20.801 7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.362 19.795 7.148 1.00 0.00 H new ATOM 329 N GLN A 22 -3.130 16.396 9.864 1.00 0.00 N ATOM 330 CA GLN A 22 -3.486 15.073 9.382 1.00 0.00 C ATOM 331 C GLN A 22 -2.291 14.423 8.682 1.00 0.00 C ATOM 332 O GLN A 22 -1.698 13.481 9.206 1.00 0.00 O ATOM 333 CB GLN A 22 -4.698 15.137 8.450 1.00 0.00 C ATOM 334 CG GLN A 22 -5.983 14.773 9.196 1.00 0.00 C ATOM 335 CD GLN A 22 -7.181 15.538 8.630 1.00 0.00 C ATOM 336 OE1 GLN A 22 -7.630 16.532 9.177 1.00 0.00 O ATOM 337 NE2 GLN A 22 -7.672 15.021 7.507 1.00 0.00 N ATOM 0 H GLN A 22 -2.133 16.535 10.030 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.759 14.457 10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.787 16.140 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.554 14.454 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.162 13.701 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.869 15.001 10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.248 14.186 7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.472 15.459 7.051 1.00 0.00 H new ATOM 346 N GLU A 23 -1.972 14.952 7.510 1.00 0.00 N ATOM 347 CA GLU A 23 -0.858 14.435 6.734 1.00 0.00 C ATOM 348 C GLU A 23 0.277 15.460 6.687 1.00 0.00 C ATOM 349 O GLU A 23 0.121 16.586 7.156 1.00 0.00 O ATOM 350 CB GLU A 23 -1.306 14.048 5.323 1.00 0.00 C ATOM 351 CG GLU A 23 -1.521 12.537 5.211 1.00 0.00 C ATOM 352 CD GLU A 23 -2.410 12.197 4.013 1.00 0.00 C ATOM 353 OE1 GLU A 23 -3.644 12.194 4.138 1.00 0.00 O ATOM 354 OE2 GLU A 23 -1.776 11.929 2.922 1.00 0.00 O ATOM 0 H GLU A 23 -2.466 15.734 7.079 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.487 13.534 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.230 14.570 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.556 14.367 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.559 12.036 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.979 12.162 6.126 1.00 0.00 H new ATOM 362 N VAL A 24 1.394 15.033 6.116 1.00 0.00 N ATOM 363 CA VAL A 24 2.554 15.900 6.002 1.00 0.00 C ATOM 364 C VAL A 24 3.047 15.897 4.553 1.00 0.00 C ATOM 365 O VAL A 24 2.881 14.910 3.839 1.00 0.00 O ATOM 366 CB VAL A 24 3.631 15.467 6.999 1.00 0.00 C ATOM 367 CG1 VAL A 24 3.100 15.515 8.434 1.00 0.00 C ATOM 368 CG2 VAL A 24 4.167 14.075 6.659 1.00 0.00 C ATOM 0 H VAL A 24 1.520 14.098 5.728 1.00 0.00 H new ATOM 0 HA VAL A 24 2.289 16.927 6.254 1.00 0.00 H new ATOM 0 HB VAL A 24 4.459 16.171 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.885 15.203 9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.790 16.532 8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.246 14.844 8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.931 13.792 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.351 13.353 6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.602 14.087 5.659 1.00 0.00 H new ATOM 378 N HIS A 25 3.642 17.014 4.162 1.00 0.00 N ATOM 379 CA HIS A 25 4.160 17.153 2.812 1.00 0.00 C ATOM 380 C HIS A 25 5.505 17.881 2.850 1.00 0.00 C ATOM 381 O HIS A 25 5.553 19.097 3.028 1.00 0.00 O ATOM 382 CB HIS A 25 3.138 17.845 1.907 1.00 0.00 C ATOM 383 CG HIS A 25 2.958 17.180 0.563 1.00 0.00 C ATOM 384 ND1 HIS A 25 1.729 17.077 -0.064 1.00 0.00 N ATOM 385 CD2 HIS A 25 3.865 16.586 -0.266 1.00 0.00 C ATOM 386 CE1 HIS A 25 1.900 16.447 -1.218 1.00 0.00 C ATOM 387 NE2 HIS A 25 3.224 16.144 -1.341 1.00 0.00 N ATOM 0 H HIS A 25 3.777 17.832 4.757 1.00 0.00 H new ATOM 0 HA HIS A 25 4.332 16.166 2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.176 17.874 2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.447 18.879 1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.924 16.492 -0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.126 16.215 -1.935 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.651 15.658 -2.129 1.00 0.00 H new ATOM 395 N VAL A 26 6.566 17.105 2.679 1.00 0.00 N ATOM 396 CA VAL A 26 7.909 17.660 2.692 1.00 0.00 C ATOM 397 C VAL A 26 8.452 17.702 1.263 1.00 0.00 C ATOM 398 O VAL A 26 8.943 16.697 0.752 1.00 0.00 O ATOM 399 CB VAL A 26 8.797 16.859 3.646 1.00 0.00 C ATOM 400 CG1 VAL A 26 8.296 16.973 5.087 1.00 0.00 C ATOM 401 CG2 VAL A 26 8.888 15.395 3.211 1.00 0.00 C ATOM 0 H VAL A 26 6.523 16.097 2.531 1.00 0.00 H new ATOM 0 HA VAL A 26 7.896 18.684 3.065 1.00 0.00 H new ATOM 0 HB VAL A 26 9.800 17.283 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.945 16.394 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.307 18.019 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.279 16.587 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.525 14.848 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.891 14.954 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.313 15.339 2.209 1.00 0.00 H new ATOM 411 N SER A 27 8.346 18.876 0.657 1.00 0.00 N ATOM 412 CA SER A 27 8.820 19.062 -0.704 1.00 0.00 C ATOM 413 C SER A 27 10.059 19.960 -0.707 1.00 0.00 C ATOM 414 O SER A 27 10.322 20.665 0.265 1.00 0.00 O ATOM 415 CB SER A 27 7.728 19.661 -1.591 1.00 0.00 C ATOM 416 OG SER A 27 6.947 18.655 -2.230 1.00 0.00 O ATOM 0 H SER A 27 7.939 19.708 1.084 1.00 0.00 H new ATOM 0 HA SER A 27 9.085 18.086 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.079 20.295 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.185 20.300 -2.347 1.00 0.00 H new ATOM 0 HG SER A 27 6.260 19.078 -2.786 1.00 0.00 H new ATOM 422 N GLY A 28 10.788 19.904 -1.813 1.00 0.00 N ATOM 423 CA GLY A 28 11.993 20.703 -1.956 1.00 0.00 C ATOM 424 C GLY A 28 13.060 19.949 -2.751 1.00 0.00 C ATOM 425 O GLY A 28 12.752 19.300 -3.750 1.00 0.00 O ATOM 0 H GLY A 28 10.567 19.318 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.755 21.640 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.382 20.960 -0.971 1.00 0.00 H new ATOM 429 N ASP A 29 14.293 20.059 -2.278 1.00 0.00 N ATOM 430 CA ASP A 29 15.407 19.395 -2.932 1.00 0.00 C ATOM 431 C ASP A 29 16.151 18.530 -1.912 1.00 0.00 C ATOM 432 O ASP A 29 16.170 17.306 -2.028 1.00 0.00 O ATOM 433 CB ASP A 29 16.398 20.413 -3.500 1.00 0.00 C ATOM 434 CG ASP A 29 16.317 20.619 -5.014 1.00 0.00 C ATOM 435 OD1 ASP A 29 15.224 20.767 -5.581 1.00 0.00 O ATOM 436 OD2 ASP A 29 17.453 20.625 -5.625 1.00 0.00 O ATOM 0 H ASP A 29 14.545 20.598 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 29 15.007 18.788 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.233 21.372 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.409 20.095 -3.245 1.00 0.00 H new ATOM 442 N GLY A 30 16.744 19.201 -0.936 1.00 0.00 N ATOM 443 CA GLY A 30 17.487 18.509 0.104 1.00 0.00 C ATOM 444 C GLY A 30 17.783 19.443 1.279 1.00 0.00 C ATOM 445 O GLY A 30 17.669 19.044 2.437 1.00 0.00 O ATOM 0 H GLY A 30 16.725 20.217 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 30 16.916 17.649 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.422 18.126 -0.305 1.00 0.00 H new ATOM 449 N SER A 31 18.159 20.667 0.941 1.00 0.00 N ATOM 450 CA SER A 31 18.473 21.661 1.953 1.00 0.00 C ATOM 451 C SER A 31 17.283 22.601 2.151 1.00 0.00 C ATOM 452 O SER A 31 16.885 22.877 3.282 1.00 0.00 O ATOM 453 CB SER A 31 19.723 22.458 1.574 1.00 0.00 C ATOM 454 OG SER A 31 20.785 21.612 1.142 1.00 0.00 O ATOM 0 H SER A 31 18.253 20.994 -0.021 1.00 0.00 H new ATOM 0 HA SER A 31 18.677 21.142 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.476 23.164 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.053 23.045 2.431 1.00 0.00 H new ATOM 0 HG SER A 31 21.564 22.159 0.908 1.00 0.00 H new ATOM 460 N HIS A 32 16.747 23.069 1.032 1.00 0.00 N ATOM 461 CA HIS A 32 15.610 23.973 1.068 1.00 0.00 C ATOM 462 C HIS A 32 14.341 23.217 0.670 1.00 0.00 C ATOM 463 O HIS A 32 14.192 22.811 -0.482 1.00 0.00 O ATOM 464 CB HIS A 32 15.867 25.203 0.195 1.00 0.00 C ATOM 465 CG HIS A 32 16.170 24.879 -1.248 1.00 0.00 C ATOM 466 ND1 HIS A 32 17.244 24.258 -1.816 1.00 0.00 N flip ATOM 467 CD2 HIS A 32 15.313 25.203 -2.285 1.00 0.00 C flip ATOM 468 CE1 HIS A 32 17.053 24.205 -3.128 1.00 0.00 C flip ATOM 469 NE2 HIS A 32 15.856 24.791 -3.421 1.00 0.00 N flip ATOM 0 H HIS A 32 17.079 22.839 0.096 1.00 0.00 H new ATOM 0 HA HIS A 32 15.467 24.344 2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.993 25.853 0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.702 25.765 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.363 25.706 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.733 23.770 -3.846 1.00 0.00 H new ATOM 0 HE2 HIS A 32 15.451 24.894 -4.351 1.00 0.00 H new ATOM 477 N PHE A 33 13.459 23.052 1.644 1.00 0.00 N ATOM 478 CA PHE A 33 12.207 22.352 1.410 1.00 0.00 C ATOM 479 C PHE A 33 11.083 22.937 2.267 1.00 0.00 C ATOM 480 O PHE A 33 11.337 23.491 3.336 1.00 0.00 O ATOM 481 CB PHE A 33 12.430 20.892 1.809 1.00 0.00 C ATOM 482 CG PHE A 33 13.440 20.703 2.942 1.00 0.00 C ATOM 483 CD1 PHE A 33 14.772 20.804 2.690 1.00 0.00 C ATOM 484 CD2 PHE A 33 13.005 20.434 4.203 1.00 0.00 C ATOM 485 CE1 PHE A 33 15.710 20.629 3.742 1.00 0.00 C ATOM 486 CE2 PHE A 33 13.942 20.259 5.255 1.00 0.00 C ATOM 487 CZ PHE A 33 15.275 20.360 5.002 1.00 0.00 C ATOM 0 H PHE A 33 13.586 23.391 2.598 1.00 0.00 H new ATOM 0 HA PHE A 33 11.917 22.448 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.476 20.459 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.771 20.336 0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 33 15.117 21.017 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.947 20.354 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.768 20.710 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 33 13.597 20.046 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.988 20.226 5.802 1.00 0.00 H new ATOM 497 N GLN A 34 9.865 22.793 1.767 1.00 0.00 N ATOM 498 CA GLN A 34 8.701 23.301 2.474 1.00 0.00 C ATOM 499 C GLN A 34 7.945 22.152 3.145 1.00 0.00 C ATOM 500 O GLN A 34 7.822 21.069 2.575 1.00 0.00 O ATOM 501 CB GLN A 34 7.785 24.083 1.531 1.00 0.00 C ATOM 502 CG GLN A 34 6.413 24.315 2.168 1.00 0.00 C ATOM 503 CD GLN A 34 5.971 25.771 2.001 1.00 0.00 C ATOM 504 OE1 GLN A 34 6.704 26.618 1.518 1.00 0.00 O ATOM 505 NE2 GLN A 34 4.734 26.012 2.427 1.00 0.00 N ATOM 0 H GLN A 34 9.658 22.332 0.881 1.00 0.00 H new ATOM 0 HA GLN A 34 9.042 23.988 3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.243 25.041 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.668 23.536 0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.678 23.653 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.452 24.062 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.174 25.256 2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.345 26.953 2.359 1.00 0.00 H new ATOM 514 N VAL A 35 7.458 22.428 4.346 1.00 0.00 N ATOM 515 CA VAL A 35 6.718 21.431 5.100 1.00 0.00 C ATOM 516 C VAL A 35 5.247 21.846 5.180 1.00 0.00 C ATOM 517 O VAL A 35 4.867 22.633 6.045 1.00 0.00 O ATOM 518 CB VAL A 35 7.358 21.233 6.476 1.00 0.00 C ATOM 519 CG1 VAL A 35 6.446 20.416 7.393 1.00 0.00 C ATOM 520 CG2 VAL A 35 8.736 20.580 6.350 1.00 0.00 C ATOM 0 H VAL A 35 7.562 23.328 4.815 1.00 0.00 H new ATOM 0 HA VAL A 35 6.757 20.465 4.596 1.00 0.00 H new ATOM 0 HB VAL A 35 7.492 22.216 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.925 20.290 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.497 20.937 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.265 19.437 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.169 20.450 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.635 19.607 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.387 21.216 5.750 1.00 0.00 H new ATOM 530 N ILE A 36 4.460 21.299 4.266 1.00 0.00 N ATOM 531 CA ILE A 36 3.040 21.602 4.221 1.00 0.00 C ATOM 532 C ILE A 36 2.269 20.525 4.986 1.00 0.00 C ATOM 533 O ILE A 36 2.360 19.342 4.661 1.00 0.00 O ATOM 534 CB ILE A 36 2.575 21.782 2.775 1.00 0.00 C ATOM 535 CG1 ILE A 36 2.151 23.228 2.511 1.00 0.00 C ATOM 536 CG2 ILE A 36 1.467 20.787 2.428 1.00 0.00 C ATOM 537 CD1 ILE A 36 2.125 23.527 1.011 1.00 0.00 C ATOM 0 H ILE A 36 4.779 20.647 3.550 1.00 0.00 H new ATOM 0 HA ILE A 36 2.838 22.552 4.716 1.00 0.00 H new ATOM 0 HB ILE A 36 3.417 21.569 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.164 23.405 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.840 23.910 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.154 20.936 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.840 19.770 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.616 20.944 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.820 24.561 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.119 23.373 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.417 22.860 0.519 1.00 0.00 H new ATOM 549 N ALA A 37 1.526 20.973 5.988 1.00 0.00 N ATOM 550 CA ALA A 37 0.739 20.062 6.801 1.00 0.00 C ATOM 551 C ALA A 37 -0.595 19.785 6.104 1.00 0.00 C ATOM 552 O ALA A 37 -1.471 20.648 6.068 1.00 0.00 O ATOM 553 CB ALA A 37 0.554 20.655 8.199 1.00 0.00 C ATOM 0 H ALA A 37 1.453 21.955 6.255 1.00 0.00 H new ATOM 0 HA ALA A 37 1.255 19.109 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.037 19.971 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.529 20.805 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.037 21.612 8.123 1.00 0.00 H new ATOM 559 N VAL A 38 -0.707 18.578 5.568 1.00 0.00 N ATOM 560 CA VAL A 38 -1.919 18.177 4.875 1.00 0.00 C ATOM 561 C VAL A 38 -3.001 17.840 5.902 1.00 0.00 C ATOM 562 O VAL A 38 -2.694 17.458 7.030 1.00 0.00 O ATOM 563 CB VAL A 38 -1.617 17.019 3.921 1.00 0.00 C ATOM 564 CG1 VAL A 38 -2.909 16.363 3.429 1.00 0.00 C ATOM 565 CG2 VAL A 38 -0.757 17.486 2.746 1.00 0.00 C ATOM 0 H VAL A 38 0.022 17.865 5.600 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.297 18.995 4.262 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.050 16.270 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.666 15.543 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.468 15.977 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.514 17.101 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.557 16.644 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.286 18.264 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.186 17.884 3.121 1.00 0.00 H new ATOM 575 N GLY A 39 -4.246 17.992 5.474 1.00 0.00 N ATOM 576 CA GLY A 39 -5.376 17.708 6.343 1.00 0.00 C ATOM 577 C GLY A 39 -6.617 18.485 5.899 1.00 0.00 C ATOM 578 O GLY A 39 -7.172 18.220 4.834 1.00 0.00 O ATOM 0 H GLY A 39 -4.497 18.308 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.588 16.639 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.125 17.972 7.370 1.00 0.00 H new ATOM 582 N GLU A 40 -7.017 19.429 6.739 1.00 0.00 N ATOM 583 CA GLU A 40 -8.182 20.246 6.447 1.00 0.00 C ATOM 584 C GLU A 40 -8.437 21.233 7.588 1.00 0.00 C ATOM 585 O GLU A 40 -8.919 22.341 7.358 1.00 0.00 O ATOM 586 CB GLU A 40 -9.413 19.374 6.191 1.00 0.00 C ATOM 587 CG GLU A 40 -10.285 19.968 5.084 1.00 0.00 C ATOM 588 CD GLU A 40 -11.635 19.251 5.005 1.00 0.00 C ATOM 589 OE1 GLU A 40 -11.676 18.025 4.826 1.00 0.00 O ATOM 590 OE2 GLU A 40 -12.666 20.015 5.137 1.00 0.00 O ATOM 0 H GLU A 40 -6.555 19.646 7.622 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.985 20.814 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.099 18.368 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.995 19.283 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.444 21.030 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.770 19.887 4.127 1.00 0.00 H new ATOM 598 N LEU A 41 -8.103 20.795 8.793 1.00 0.00 N ATOM 599 CA LEU A 41 -8.289 21.627 9.969 1.00 0.00 C ATOM 600 C LEU A 41 -8.042 23.091 9.599 1.00 0.00 C ATOM 601 O LEU A 41 -8.964 23.905 9.620 1.00 0.00 O ATOM 602 CB LEU A 41 -7.416 21.128 11.122 1.00 0.00 C ATOM 603 CG LEU A 41 -7.488 21.939 12.418 1.00 0.00 C ATOM 604 CD1 LEU A 41 -8.869 21.819 13.064 1.00 0.00 C ATOM 605 CD2 LEU A 41 -6.368 21.536 13.380 1.00 0.00 C ATOM 0 H LEU A 41 -7.705 19.875 8.980 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.317 21.558 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.697 20.099 11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.379 21.110 10.785 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.338 22.990 12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.893 22.405 13.983 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.627 22.193 12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.073 20.773 13.295 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.442 22.127 14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.462 20.478 13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.402 21.716 12.909 1.00 0.00 H new ATOM 617 N PHE A 42 -6.792 23.381 9.268 1.00 0.00 N ATOM 618 CA PHE A 42 -6.412 24.732 8.894 1.00 0.00 C ATOM 619 C PHE A 42 -6.712 24.997 7.417 1.00 0.00 C ATOM 620 O PHE A 42 -5.880 25.551 6.700 1.00 0.00 O ATOM 621 CB PHE A 42 -4.904 24.853 9.125 1.00 0.00 C ATOM 622 CG PHE A 42 -4.512 25.031 10.593 1.00 0.00 C ATOM 623 CD1 PHE A 42 -4.962 24.153 11.529 1.00 0.00 C ATOM 624 CD2 PHE A 42 -3.712 26.068 10.961 1.00 0.00 C ATOM 625 CE1 PHE A 42 -4.598 24.319 12.891 1.00 0.00 C ATOM 626 CE2 PHE A 42 -3.348 26.234 12.324 1.00 0.00 C ATOM 627 CZ PHE A 42 -3.799 25.356 13.260 1.00 0.00 C ATOM 0 H PHE A 42 -6.030 22.703 9.251 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.974 25.454 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.414 23.961 8.734 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.526 25.701 8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.596 23.329 11.236 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.354 26.765 10.217 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.956 23.622 13.634 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.713 27.057 12.617 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.523 25.482 14.296 1.00 0.00 H new ATOM 637 N ASP A 43 -7.904 24.588 7.006 1.00 0.00 N ATOM 638 CA ASP A 43 -8.324 24.774 5.628 1.00 0.00 C ATOM 639 C ASP A 43 -9.261 25.981 5.543 1.00 0.00 C ATOM 640 O ASP A 43 -10.467 25.823 5.354 1.00 0.00 O ATOM 641 CB ASP A 43 -9.083 23.550 5.113 1.00 0.00 C ATOM 642 CG ASP A 43 -9.525 23.630 3.651 1.00 0.00 C ATOM 643 OD1 ASP A 43 -10.654 23.252 3.303 1.00 0.00 O ATOM 644 OD2 ASP A 43 -8.644 24.111 2.840 1.00 0.00 O ATOM 0 H ASP A 43 -8.591 24.129 7.603 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.431 24.926 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.451 22.671 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.965 23.400 5.736 1.00 0.00 H new ATOM 650 N GLY A 44 -8.672 27.159 5.688 1.00 0.00 N ATOM 651 CA GLY A 44 -9.439 28.391 5.631 1.00 0.00 C ATOM 652 C GLY A 44 -8.763 29.497 6.444 1.00 0.00 C ATOM 653 O GLY A 44 -9.019 30.680 6.223 1.00 0.00 O ATOM 0 H GLY A 44 -7.672 27.286 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.545 28.710 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.444 28.216 6.014 1.00 0.00 H new ATOM 657 N MET A 45 -7.912 29.072 7.366 1.00 0.00 N ATOM 658 CA MET A 45 -7.196 30.011 8.213 1.00 0.00 C ATOM 659 C MET A 45 -6.491 31.079 7.374 1.00 0.00 C ATOM 660 O MET A 45 -6.338 30.921 6.164 1.00 0.00 O ATOM 661 CB MET A 45 -6.164 29.257 9.054 1.00 0.00 C ATOM 662 CG MET A 45 -6.588 29.201 10.523 1.00 0.00 C ATOM 663 SD MET A 45 -7.650 27.793 10.798 1.00 0.00 S ATOM 664 CE MET A 45 -7.058 27.267 12.398 1.00 0.00 C ATOM 0 H MET A 45 -7.702 28.090 7.545 1.00 0.00 H new ATOM 0 HA MET A 45 -7.916 30.505 8.865 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.044 28.245 8.668 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.194 29.747 8.970 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.708 29.133 11.162 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.109 30.119 10.795 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.325 26.223 12.560 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.974 27.375 12.438 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.513 27.882 13.174 1.00 0.00 H new ATOM 674 N SER A 46 -6.079 32.141 8.051 1.00 0.00 N ATOM 675 CA SER A 46 -5.393 33.234 7.383 1.00 0.00 C ATOM 676 C SER A 46 -3.880 33.016 7.443 1.00 0.00 C ATOM 677 O SER A 46 -3.327 32.767 8.513 1.00 0.00 O ATOM 678 CB SER A 46 -5.761 34.580 8.010 1.00 0.00 C ATOM 679 OG SER A 46 -5.056 35.661 7.405 1.00 0.00 O ATOM 0 H SER A 46 -6.207 32.268 9.055 1.00 0.00 H new ATOM 0 HA SER A 46 -5.710 33.251 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.834 34.745 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.540 34.555 9.077 1.00 0.00 H new ATOM 0 HG SER A 46 -5.320 36.503 7.832 1.00 0.00 H new ATOM 685 N ARG A 47 -3.253 33.119 6.280 1.00 0.00 N ATOM 686 CA ARG A 47 -1.814 32.937 6.187 1.00 0.00 C ATOM 687 C ARG A 47 -1.121 33.553 7.404 1.00 0.00 C ATOM 688 O ARG A 47 -0.062 33.087 7.821 1.00 0.00 O ATOM 689 CB ARG A 47 -1.259 33.578 4.914 1.00 0.00 C ATOM 690 CG ARG A 47 0.225 33.253 4.738 1.00 0.00 C ATOM 691 CD ARG A 47 0.674 33.500 3.296 1.00 0.00 C ATOM 692 NE ARG A 47 1.195 34.878 3.158 1.00 0.00 N ATOM 693 CZ ARG A 47 1.350 35.513 1.976 1.00 0.00 C ATOM 694 NH1 ARG A 47 1.025 34.898 0.820 1.00 0.00 N ATOM 695 NH2 ARG A 47 1.825 36.745 1.970 1.00 0.00 N ATOM 0 H ARG A 47 -3.715 33.326 5.394 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.617 31.865 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.818 33.221 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.396 34.659 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.818 33.866 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.407 32.212 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.445 32.781 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.163 33.349 2.615 1.00 0.00 H new ATOM 0 HE ARG A 47 1.453 35.379 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.659 33.946 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.145 35.385 -0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.068 37.202 2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.949 37.240 1.087 1.00 0.00 H new ATOM 708 N VAL A 48 -1.748 34.591 7.939 1.00 0.00 N ATOM 709 CA VAL A 48 -1.204 35.275 9.100 1.00 0.00 C ATOM 710 C VAL A 48 -1.434 34.418 10.346 1.00 0.00 C ATOM 711 O VAL A 48 -0.486 33.888 10.924 1.00 0.00 O ATOM 712 CB VAL A 48 -1.814 36.674 9.216 1.00 0.00 C ATOM 713 CG1 VAL A 48 -1.414 37.339 10.535 1.00 0.00 C ATOM 714 CG2 VAL A 48 -1.419 37.544 8.021 1.00 0.00 C ATOM 0 H VAL A 48 -2.626 34.974 7.590 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.128 35.411 8.993 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.899 36.569 9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.861 38.332 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.767 36.734 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.329 37.426 10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.865 38.533 8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.334 37.638 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.776 37.082 7.101 1.00 0.00 H new ATOM 724 N LYS A 49 -2.699 34.308 10.724 1.00 0.00 N ATOM 725 CA LYS A 49 -3.066 33.524 11.892 1.00 0.00 C ATOM 726 C LYS A 49 -2.512 32.105 11.743 1.00 0.00 C ATOM 727 O LYS A 49 -2.068 31.503 12.719 1.00 0.00 O ATOM 728 CB LYS A 49 -4.579 33.572 12.116 1.00 0.00 C ATOM 729 CG LYS A 49 -4.906 33.837 13.587 1.00 0.00 C ATOM 730 CD LYS A 49 -5.271 32.539 14.310 1.00 0.00 C ATOM 731 CE LYS A 49 -5.581 32.801 15.785 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.340 32.762 16.590 1.00 0.00 N ATOM 0 H LYS A 49 -3.483 34.748 10.242 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.620 33.949 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.018 34.353 11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.027 32.628 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.049 34.301 14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.734 34.542 13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.135 32.081 13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.448 31.829 14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.062 33.773 15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.284 32.054 16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.568 32.942 17.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.897 31.826 16.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.682 33.491 16.249 1.00 0.00 H new ATOM 745 N LYS A 50 -2.556 31.613 10.513 1.00 0.00 N ATOM 746 CA LYS A 50 -2.064 30.277 10.224 1.00 0.00 C ATOM 747 C LYS A 50 -0.581 30.194 10.592 1.00 0.00 C ATOM 748 O LYS A 50 -0.202 29.447 11.493 1.00 0.00 O ATOM 749 CB LYS A 50 -2.359 29.900 8.771 1.00 0.00 C ATOM 750 CG LYS A 50 -2.379 28.381 8.591 1.00 0.00 C ATOM 751 CD LYS A 50 -1.695 27.974 7.285 1.00 0.00 C ATOM 752 CE LYS A 50 -2.413 28.582 6.078 1.00 0.00 C ATOM 753 NZ LYS A 50 -3.836 28.174 6.062 1.00 0.00 N ATOM 0 H LYS A 50 -2.925 32.116 9.706 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.586 29.539 10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.320 30.318 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.604 30.337 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.876 27.905 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.409 28.025 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.655 28.301 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.686 26.888 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.341 29.669 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.926 28.260 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.127 27.968 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.960 27.323 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.422 28.944 6.442 1.00 0.00 H new ATOM 766 N GLN A 51 0.218 30.971 9.875 1.00 0.00 N ATOM 767 CA GLN A 51 1.651 30.995 10.115 1.00 0.00 C ATOM 768 C GLN A 51 1.943 31.453 11.545 1.00 0.00 C ATOM 769 O GLN A 51 3.035 31.228 12.062 1.00 0.00 O ATOM 770 CB GLN A 51 2.363 31.888 9.097 1.00 0.00 C ATOM 771 CG GLN A 51 2.515 31.173 7.752 1.00 0.00 C ATOM 772 CD GLN A 51 3.903 30.544 7.620 1.00 0.00 C ATOM 773 OE1 GLN A 51 4.800 31.083 6.992 1.00 0.00 O ATOM 774 NE2 GLN A 51 4.031 29.377 8.245 1.00 0.00 N ATOM 0 H GLN A 51 -0.100 31.588 9.128 1.00 0.00 H new ATOM 0 HA GLN A 51 2.036 29.983 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.799 32.811 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.345 32.168 9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.751 30.401 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.354 31.881 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.240 28.981 8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.920 28.878 8.216 1.00 0.00 H new ATOM 783 N GLN A 52 0.946 32.089 12.143 1.00 0.00 N ATOM 784 CA GLN A 52 1.082 32.582 13.504 1.00 0.00 C ATOM 785 C GLN A 52 1.065 31.416 14.494 1.00 0.00 C ATOM 786 O GLN A 52 1.945 31.308 15.347 1.00 0.00 O ATOM 787 CB GLN A 52 -0.016 33.596 13.832 1.00 0.00 C ATOM 788 CG GLN A 52 0.129 34.117 15.263 1.00 0.00 C ATOM 789 CD GLN A 52 -0.628 35.434 15.446 1.00 0.00 C ATOM 790 OE1 GLN A 52 -0.416 36.405 14.739 1.00 0.00 O ATOM 791 NE2 GLN A 52 -1.520 35.412 16.432 1.00 0.00 N ATOM 0 H GLN A 52 0.041 32.274 11.711 1.00 0.00 H new ATOM 0 HA GLN A 52 2.041 33.093 13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.032 34.429 13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.994 33.131 13.708 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.251 33.374 15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.184 34.264 15.495 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.647 34.565 16.986 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.077 36.242 16.635 1.00 0.00 H new ATOM 800 N THR A 53 0.054 30.572 14.349 1.00 0.00 N ATOM 801 CA THR A 53 -0.089 29.418 15.221 1.00 0.00 C ATOM 802 C THR A 53 0.764 28.255 14.710 1.00 0.00 C ATOM 803 O THR A 53 1.066 27.327 15.459 1.00 0.00 O ATOM 804 CB THR A 53 -1.579 29.082 15.319 1.00 0.00 C ATOM 805 OG1 THR A 53 -2.025 29.813 16.458 1.00 0.00 O ATOM 806 CG2 THR A 53 -1.825 27.619 15.695 1.00 0.00 C ATOM 0 H THR A 53 -0.674 30.664 13.641 1.00 0.00 H new ATOM 0 HA THR A 53 0.278 29.632 16.225 1.00 0.00 H new ATOM 0 HB THR A 53 -2.064 29.299 14.367 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.982 29.654 16.594 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.898 27.433 15.751 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.383 26.970 14.939 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.369 27.411 16.663 1.00 0.00 H new ATOM 814 N VAL A 54 1.129 28.344 13.440 1.00 0.00 N ATOM 815 CA VAL A 54 1.941 27.311 12.820 1.00 0.00 C ATOM 816 C VAL A 54 3.419 27.597 13.095 1.00 0.00 C ATOM 817 O VAL A 54 4.157 26.713 13.525 1.00 0.00 O ATOM 818 CB VAL A 54 1.618 27.215 11.328 1.00 0.00 C ATOM 819 CG1 VAL A 54 2.741 26.506 10.568 1.00 0.00 C ATOM 820 CG2 VAL A 54 0.276 26.515 11.102 1.00 0.00 C ATOM 0 H VAL A 54 0.877 29.116 12.823 1.00 0.00 H new ATOM 0 HA VAL A 54 1.713 26.336 13.251 1.00 0.00 H new ATOM 0 HB VAL A 54 1.537 28.229 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.486 26.451 9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.670 27.063 10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.868 25.498 10.963 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.070 26.460 10.033 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.317 25.508 11.516 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.516 27.078 11.595 1.00 0.00 H new ATOM 830 N TYR A 55 3.806 28.838 12.834 1.00 0.00 N ATOM 831 CA TYR A 55 5.183 29.252 13.048 1.00 0.00 C ATOM 832 C TYR A 55 5.400 29.708 14.492 1.00 0.00 C ATOM 833 O TYR A 55 6.534 29.766 14.964 1.00 0.00 O ATOM 834 CB TYR A 55 5.416 30.438 12.110 1.00 0.00 C ATOM 835 CG TYR A 55 6.872 30.608 11.672 1.00 0.00 C ATOM 836 CD1 TYR A 55 7.410 29.764 10.722 1.00 0.00 C ATOM 837 CD2 TYR A 55 7.648 31.605 12.228 1.00 0.00 C ATOM 838 CE1 TYR A 55 8.781 29.924 10.310 1.00 0.00 C ATOM 839 CE2 TYR A 55 9.019 31.765 11.816 1.00 0.00 C ATOM 840 CZ TYR A 55 9.517 30.917 10.878 1.00 0.00 C ATOM 841 OH TYR A 55 10.812 31.068 10.489 1.00 0.00 O ATOM 0 H TYR A 55 3.191 29.569 12.477 1.00 0.00 H new ATOM 0 HA TYR A 55 5.867 28.426 12.856 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.793 30.315 11.224 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.088 31.351 12.607 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.803 28.983 10.287 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.227 32.265 12.972 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.215 29.271 9.567 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.637 32.541 12.243 1.00 0.00 H new ATOM 0 HH TYR A 55 11.215 31.816 10.977 1.00 0.00 H new ATOM 851 N GLY A 56 4.295 30.021 15.153 1.00 0.00 N ATOM 852 CA GLY A 56 4.351 30.470 16.533 1.00 0.00 C ATOM 853 C GLY A 56 5.091 29.458 17.410 1.00 0.00 C ATOM 854 O GLY A 56 6.007 29.822 18.146 1.00 0.00 O ATOM 0 H GLY A 56 3.356 29.972 14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.853 31.436 16.585 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.340 30.615 16.913 1.00 0.00 H new ATOM 858 N PRO A 57 4.655 28.175 17.299 1.00 0.00 N ATOM 859 CA PRO A 57 5.266 27.107 18.073 1.00 0.00 C ATOM 860 C PRO A 57 6.633 26.729 17.501 1.00 0.00 C ATOM 861 O PRO A 57 7.636 26.754 18.212 1.00 0.00 O ATOM 862 CB PRO A 57 4.265 25.964 18.026 1.00 0.00 C ATOM 863 CG PRO A 57 3.348 26.262 16.850 1.00 0.00 C ATOM 864 CD PRO A 57 3.573 27.707 16.438 1.00 0.00 C ATOM 0 HA PRO A 57 5.469 27.398 19.104 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.770 25.007 17.895 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.700 25.901 18.956 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.563 25.590 16.019 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.306 26.102 17.128 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.845 27.781 15.385 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.671 28.303 16.576 1.00 0.00 H new ATOM 872 N LEU A 58 6.629 26.386 16.221 1.00 0.00 N ATOM 873 CA LEU A 58 7.857 26.003 15.545 1.00 0.00 C ATOM 874 C LEU A 58 8.583 27.260 15.063 1.00 0.00 C ATOM 875 O LEU A 58 9.126 27.283 13.960 1.00 0.00 O ATOM 876 CB LEU A 58 7.563 24.997 14.430 1.00 0.00 C ATOM 877 CG LEU A 58 6.707 25.511 13.271 1.00 0.00 C ATOM 878 CD1 LEU A 58 7.555 25.729 12.017 1.00 0.00 C ATOM 879 CD2 LEU A 58 5.523 24.579 13.008 1.00 0.00 C ATOM 0 H LEU A 58 5.795 26.365 15.634 1.00 0.00 H new ATOM 0 HA LEU A 58 8.528 25.492 16.235 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.512 24.645 14.026 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.064 24.134 14.869 1.00 0.00 H new ATOM 0 HG LEU A 58 6.297 26.480 13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.922 26.094 11.209 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.334 26.462 12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.015 24.786 11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.931 24.968 12.179 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.892 23.585 12.756 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.901 24.519 13.901 1.00 0.00 H new ATOM 891 N MET A 59 8.569 28.276 15.914 1.00 0.00 N ATOM 892 CA MET A 59 9.219 29.534 15.589 1.00 0.00 C ATOM 893 C MET A 59 10.697 29.505 15.985 1.00 0.00 C ATOM 894 O MET A 59 11.570 29.752 15.155 1.00 0.00 O ATOM 895 CB MET A 59 8.515 30.677 16.323 1.00 0.00 C ATOM 896 CG MET A 59 8.164 31.813 15.360 1.00 0.00 C ATOM 897 SD MET A 59 8.814 33.357 15.975 1.00 0.00 S ATOM 898 CE MET A 59 7.764 33.590 17.399 1.00 0.00 C ATOM 0 H MET A 59 8.117 28.253 16.828 1.00 0.00 H new ATOM 0 HA MET A 59 9.154 29.688 14.512 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.607 30.305 16.798 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.159 31.055 17.118 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.575 31.604 14.372 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.082 31.884 15.247 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.976 34.558 17.853 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.719 33.555 17.090 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.955 32.800 18.125 1.00 0.00 H new ATOM 908 N GLU A 60 10.930 29.203 17.254 1.00 0.00 N ATOM 909 CA GLU A 60 12.287 29.140 17.771 1.00 0.00 C ATOM 910 C GLU A 60 13.061 28.007 17.093 1.00 0.00 C ATOM 911 O GLU A 60 14.221 28.178 16.722 1.00 0.00 O ATOM 912 CB GLU A 60 12.288 28.971 19.291 1.00 0.00 C ATOM 913 CG GLU A 60 11.213 27.975 19.733 1.00 0.00 C ATOM 914 CD GLU A 60 11.779 26.967 20.735 1.00 0.00 C ATOM 915 OE1 GLU A 60 12.060 25.817 20.365 1.00 0.00 O ATOM 916 OE2 GLU A 60 11.924 27.414 21.936 1.00 0.00 O ATOM 0 H GLU A 60 10.202 28.999 17.939 1.00 0.00 H new ATOM 0 HA GLU A 60 12.786 30.082 17.543 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.267 28.625 19.621 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.113 29.935 19.768 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.378 28.512 20.184 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.821 27.448 18.863 1.00 0.00 H new ATOM 924 N TYR A 61 12.387 26.875 16.952 1.00 0.00 N ATOM 925 CA TYR A 61 12.996 25.714 16.326 1.00 0.00 C ATOM 926 C TYR A 61 13.398 26.018 14.881 1.00 0.00 C ATOM 927 O TYR A 61 14.548 25.810 14.496 1.00 0.00 O ATOM 928 CB TYR A 61 11.923 24.623 16.325 1.00 0.00 C ATOM 929 CG TYR A 61 12.475 23.208 16.139 1.00 0.00 C ATOM 930 CD1 TYR A 61 13.260 22.912 15.043 1.00 0.00 C ATOM 931 CD2 TYR A 61 12.186 22.228 17.066 1.00 0.00 C ATOM 932 CE1 TYR A 61 13.779 21.581 14.868 1.00 0.00 C ATOM 933 CE2 TYR A 61 12.705 20.896 16.891 1.00 0.00 C ATOM 934 CZ TYR A 61 13.476 20.638 15.800 1.00 0.00 C ATOM 935 OH TYR A 61 13.966 19.380 15.635 1.00 0.00 O ATOM 0 H TYR A 61 11.425 26.737 17.261 1.00 0.00 H new ATOM 0 HA TYR A 61 13.895 25.415 16.865 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.374 24.667 17.265 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.209 24.831 15.528 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.485 23.679 14.317 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.571 22.460 17.923 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.395 21.337 14.016 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.487 20.120 17.609 1.00 0.00 H new ATOM 0 HH TYR A 61 13.669 18.813 16.378 1.00 0.00 H new ATOM 945 N ILE A 62 12.429 26.506 14.121 1.00 0.00 N ATOM 946 CA ILE A 62 12.667 26.842 12.727 1.00 0.00 C ATOM 947 C ILE A 62 13.689 27.978 12.648 1.00 0.00 C ATOM 948 O ILE A 62 14.471 28.049 11.701 1.00 0.00 O ATOM 949 CB ILE A 62 11.348 27.151 12.017 1.00 0.00 C ATOM 950 CG1 ILE A 62 11.361 26.624 10.581 1.00 0.00 C ATOM 951 CG2 ILE A 62 11.030 28.646 12.077 1.00 0.00 C ATOM 952 CD1 ILE A 62 10.188 25.673 10.334 1.00 0.00 C ATOM 0 H ILE A 62 11.477 26.677 14.444 1.00 0.00 H new ATOM 0 HA ILE A 62 13.095 25.990 12.198 1.00 0.00 H new ATOM 0 HB ILE A 62 10.547 26.631 12.543 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.309 27.460 9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 62 12.300 26.106 10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.087 28.838 11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.948 28.959 13.118 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.828 29.208 11.591 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.222 25.313 9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.256 24.826 11.017 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.250 26.201 10.503 1.00 0.00 H new ATOM 964 N ALA A 63 13.649 28.838 13.655 1.00 0.00 N ATOM 965 CA ALA A 63 14.562 29.967 13.711 1.00 0.00 C ATOM 966 C ALA A 63 16.003 29.455 13.662 1.00 0.00 C ATOM 967 O ALA A 63 16.797 29.903 12.836 1.00 0.00 O ATOM 968 CB ALA A 63 14.278 30.791 14.969 1.00 0.00 C ATOM 0 H ALA A 63 12.999 28.776 14.438 1.00 0.00 H new ATOM 0 HA ALA A 63 14.416 30.622 12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.963 31.638 15.011 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.251 31.156 14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.418 30.167 15.852 1.00 0.00 H new ATOM 974 N ASP A 64 16.297 28.525 14.558 1.00 0.00 N ATOM 975 CA ASP A 64 17.629 27.947 14.628 1.00 0.00 C ATOM 976 C ASP A 64 17.917 27.184 13.333 1.00 0.00 C ATOM 977 O ASP A 64 19.048 27.182 12.849 1.00 0.00 O ATOM 978 CB ASP A 64 17.742 26.962 15.793 1.00 0.00 C ATOM 979 CG ASP A 64 17.594 27.584 17.182 1.00 0.00 C ATOM 980 OD1 ASP A 64 16.575 27.391 17.863 1.00 0.00 O ATOM 981 OD2 ASP A 64 18.592 28.305 17.567 1.00 0.00 O ATOM 0 H ASP A 64 15.636 28.157 15.242 1.00 0.00 H new ATOM 0 HA ASP A 64 18.342 28.759 14.773 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.980 26.192 15.673 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.710 26.464 15.736 1.00 0.00 H new ATOM 987 N ASN A 65 16.875 26.555 12.810 1.00 0.00 N ATOM 988 CA ASN A 65 17.003 25.790 11.581 1.00 0.00 C ATOM 989 C ASN A 65 17.206 26.750 10.407 1.00 0.00 C ATOM 990 O ASN A 65 17.662 26.342 9.340 1.00 0.00 O ATOM 991 CB ASN A 65 15.740 24.971 11.309 1.00 0.00 C ATOM 992 CG ASN A 65 16.037 23.801 10.369 1.00 0.00 C ATOM 993 OD1 ASN A 65 15.958 22.640 10.737 1.00 0.00 O ATOM 994 ND2 ASN A 65 16.382 24.170 9.139 1.00 0.00 N ATOM 0 H ASN A 65 15.939 26.559 13.214 1.00 0.00 H new ATOM 0 HA ASN A 65 17.853 25.117 11.689 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.337 24.594 12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 65 14.975 25.611 10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.600 23.463 8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.429 25.160 8.898 1.00 0.00 H new ATOM 1001 N ARG A 66 16.857 28.006 10.643 1.00 0.00 N ATOM 1002 CA ARG A 66 16.995 29.026 9.619 1.00 0.00 C ATOM 1003 C ARG A 66 18.230 28.751 8.758 1.00 0.00 C ATOM 1004 O ARG A 66 18.235 29.040 7.563 1.00 0.00 O ATOM 1005 CB ARG A 66 17.115 30.419 10.241 1.00 0.00 C ATOM 1006 CG ARG A 66 17.253 31.493 9.159 1.00 0.00 C ATOM 1007 CD ARG A 66 15.921 32.208 8.925 1.00 0.00 C ATOM 1008 NE ARG A 66 16.058 33.185 7.822 1.00 0.00 N ATOM 1009 CZ ARG A 66 16.206 32.845 6.524 1.00 0.00 C ATOM 1010 NH1 ARG A 66 16.236 31.547 6.155 1.00 0.00 N ATOM 1011 NH2 ARG A 66 16.320 33.801 5.621 1.00 0.00 N ATOM 0 H ARG A 66 16.479 28.340 11.529 1.00 0.00 H new ATOM 0 HA ARG A 66 16.100 28.994 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.237 30.625 10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.980 30.452 10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.012 32.217 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.593 31.037 8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.146 31.481 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.607 32.717 9.836 1.00 0.00 H new ATOM 0 HE ARG A 66 16.039 34.177 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.146 30.814 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.348 31.299 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.296 34.779 5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.433 33.561 4.636 1.00 0.00 H new ATOM 1024 N ILE A 67 19.247 28.196 9.401 1.00 0.00 N ATOM 1025 CA ILE A 67 20.485 27.878 8.709 1.00 0.00 C ATOM 1026 C ILE A 67 20.161 27.316 7.324 1.00 0.00 C ATOM 1027 O ILE A 67 20.941 27.475 6.387 1.00 0.00 O ATOM 1028 CB ILE A 67 21.352 26.950 9.562 1.00 0.00 C ATOM 1029 CG1 ILE A 67 20.641 25.621 9.823 1.00 0.00 C ATOM 1030 CG2 ILE A 67 21.777 27.638 10.862 1.00 0.00 C ATOM 1031 CD1 ILE A 67 21.569 24.632 10.530 1.00 0.00 C ATOM 0 H ILE A 67 19.239 27.959 10.393 1.00 0.00 H new ATOM 0 HA ILE A 67 21.078 28.780 8.556 1.00 0.00 H new ATOM 0 HB ILE A 67 22.261 26.724 9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 67 19.754 25.793 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 67 20.301 25.195 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 67 22.392 26.957 11.450 1.00 0.00 H new ATOM 0 HG22 ILE A 67 22.351 28.535 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 67 20.891 27.913 11.435 1.00 0.00 H new ATOM 0 HD11 ILE A 67 21.039 23.696 10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 67 22.443 24.444 9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 67 21.888 25.051 11.485 1.00 0.00 H new ATOM 1043 N HIS A 68 19.007 26.669 7.238 1.00 0.00 N ATOM 1044 CA HIS A 68 18.570 26.082 5.983 1.00 0.00 C ATOM 1045 C HIS A 68 17.346 26.837 5.462 1.00 0.00 C ATOM 1046 O HIS A 68 17.240 28.050 5.635 1.00 0.00 O ATOM 1047 CB HIS A 68 18.318 24.582 6.144 1.00 0.00 C ATOM 1048 CG HIS A 68 19.405 23.853 6.898 1.00 0.00 C ATOM 1049 ND1 HIS A 68 20.749 23.999 6.603 1.00 0.00 N ATOM 1050 CD2 HIS A 68 19.332 22.974 7.939 1.00 0.00 C ATOM 1051 CE1 HIS A 68 21.444 23.236 7.434 1.00 0.00 C ATOM 1052 NE2 HIS A 68 20.564 22.602 8.260 1.00 0.00 N ATOM 0 H HIS A 68 18.362 26.539 8.017 1.00 0.00 H new ATOM 0 HA HIS A 68 19.358 26.181 5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 68 17.370 24.437 6.663 1.00 0.00 H new ATOM 0 HB3 HIS A 68 18.212 24.134 5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.425 22.638 8.420 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.519 23.134 7.454 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.812 21.949 9.003 1.00 0.00 H new ATOM 1060 N ALA A 69 16.450 26.087 4.836 1.00 0.00 N ATOM 1061 CA ALA A 69 15.237 26.670 4.289 1.00 0.00 C ATOM 1062 C ALA A 69 14.080 25.685 4.464 1.00 0.00 C ATOM 1063 O ALA A 69 13.579 25.131 3.487 1.00 0.00 O ATOM 1064 CB ALA A 69 15.467 27.046 2.824 1.00 0.00 C ATOM 0 H ALA A 69 16.540 25.081 4.696 1.00 0.00 H new ATOM 0 HA ALA A 69 14.975 27.584 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.557 27.483 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.279 27.770 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.729 26.153 2.256 1.00 0.00 H new ATOM 1070 N VAL A 70 13.688 25.497 5.716 1.00 0.00 N ATOM 1071 CA VAL A 70 12.599 24.589 6.031 1.00 0.00 C ATOM 1072 C VAL A 70 11.323 25.396 6.280 1.00 0.00 C ATOM 1073 O VAL A 70 11.068 25.829 7.402 1.00 0.00 O ATOM 1074 CB VAL A 70 12.985 23.700 7.215 1.00 0.00 C ATOM 1075 CG1 VAL A 70 14.295 22.958 6.940 1.00 0.00 C ATOM 1076 CG2 VAL A 70 13.077 24.516 8.506 1.00 0.00 C ATOM 0 H VAL A 70 14.106 25.958 6.524 1.00 0.00 H new ATOM 0 HA VAL A 70 12.403 23.922 5.191 1.00 0.00 H new ATOM 0 HB VAL A 70 12.200 22.955 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.546 22.333 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.179 22.331 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.094 23.680 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.353 23.860 9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.832 25.293 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.111 24.976 8.715 1.00 0.00 H new ATOM 1086 N SER A 71 10.556 25.573 5.215 1.00 0.00 N ATOM 1087 CA SER A 71 9.313 26.320 5.304 1.00 0.00 C ATOM 1088 C SER A 71 8.226 25.454 5.945 1.00 0.00 C ATOM 1089 O SER A 71 8.391 24.243 6.078 1.00 0.00 O ATOM 1090 CB SER A 71 8.861 26.803 3.924 1.00 0.00 C ATOM 1091 OG SER A 71 9.791 27.716 3.347 1.00 0.00 O ATOM 0 H SER A 71 10.771 25.212 4.286 1.00 0.00 H new ATOM 0 HA SER A 71 9.485 27.197 5.928 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.737 25.946 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.886 27.284 4.009 1.00 0.00 H new ATOM 0 HG SER A 71 9.468 28.000 2.466 1.00 0.00 H new ATOM 1097 N ILE A 72 7.140 26.110 6.325 1.00 0.00 N ATOM 1098 CA ILE A 72 6.027 25.415 6.950 1.00 0.00 C ATOM 1099 C ILE A 72 4.732 26.183 6.673 1.00 0.00 C ATOM 1100 O ILE A 72 4.704 27.410 6.761 1.00 0.00 O ATOM 1101 CB ILE A 72 6.302 25.190 8.437 1.00 0.00 C ATOM 1102 CG1 ILE A 72 6.408 23.697 8.755 1.00 0.00 C ATOM 1103 CG2 ILE A 72 5.250 25.887 9.302 1.00 0.00 C ATOM 1104 CD1 ILE A 72 7.859 23.295 9.024 1.00 0.00 C ATOM 0 H ILE A 72 7.007 27.115 6.212 1.00 0.00 H new ATOM 0 HA ILE A 72 5.908 24.421 6.518 1.00 0.00 H new ATOM 0 HB ILE A 72 7.265 25.640 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.795 23.463 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.014 23.115 7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.470 25.711 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.267 26.958 9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.263 25.489 9.066 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.906 22.229 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.465 23.508 8.143 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.242 23.861 9.873 1.00 0.00 H new ATOM 1116 N LYS A 73 3.693 25.430 6.346 1.00 0.00 N ATOM 1117 CA LYS A 73 2.399 26.024 6.056 1.00 0.00 C ATOM 1118 C LYS A 73 1.317 24.947 6.143 1.00 0.00 C ATOM 1119 O LYS A 73 1.475 23.857 5.594 1.00 0.00 O ATOM 1120 CB LYS A 73 2.434 26.755 4.712 1.00 0.00 C ATOM 1121 CG LYS A 73 2.474 28.271 4.913 1.00 0.00 C ATOM 1122 CD LYS A 73 3.883 28.818 4.678 1.00 0.00 C ATOM 1123 CE LYS A 73 3.912 29.760 3.473 1.00 0.00 C ATOM 1124 NZ LYS A 73 4.682 30.984 3.790 1.00 0.00 N ATOM 0 H LYS A 73 3.721 24.413 6.275 1.00 0.00 H new ATOM 0 HA LYS A 73 2.153 26.783 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.308 26.437 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.556 26.486 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.775 28.751 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.149 28.516 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.224 29.349 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.575 27.992 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.360 29.253 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.894 30.027 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.214 31.809 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.728 31.107 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.645 30.897 3.408 1.00 0.00 H new ATOM 1137 N ALA A 74 0.241 25.288 6.837 1.00 0.00 N ATOM 1138 CA ALA A 74 -0.867 24.363 7.003 1.00 0.00 C ATOM 1139 C ALA A 74 -1.828 24.509 5.821 1.00 0.00 C ATOM 1140 O ALA A 74 -2.416 25.570 5.622 1.00 0.00 O ATOM 1141 CB ALA A 74 -1.552 24.622 8.347 1.00 0.00 C ATOM 0 H ALA A 74 0.113 26.192 7.291 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.510 23.333 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.383 23.928 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.835 24.478 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.927 25.645 8.373 1.00 0.00 H new ATOM 1147 N TYR A 75 -1.958 23.426 5.069 1.00 0.00 N ATOM 1148 CA TYR A 75 -2.838 23.419 3.912 1.00 0.00 C ATOM 1149 C TYR A 75 -3.332 22.004 3.608 1.00 0.00 C ATOM 1150 O TYR A 75 -2.994 21.058 4.317 1.00 0.00 O ATOM 1151 CB TYR A 75 -1.993 23.916 2.737 1.00 0.00 C ATOM 1152 CG TYR A 75 -1.785 25.431 2.716 1.00 0.00 C ATOM 1153 CD1 TYR A 75 -2.838 26.276 3.003 1.00 0.00 C ATOM 1154 CD2 TYR A 75 -0.545 25.954 2.410 1.00 0.00 C ATOM 1155 CE1 TYR A 75 -2.643 27.702 2.983 1.00 0.00 C ATOM 1156 CE2 TYR A 75 -0.350 27.380 2.390 1.00 0.00 C ATOM 1157 CZ TYR A 75 -1.408 28.184 2.678 1.00 0.00 C ATOM 1158 OH TYR A 75 -1.224 29.532 2.659 1.00 0.00 O ATOM 0 H TYR A 75 -1.469 22.547 5.238 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.713 24.044 4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.020 23.427 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.471 23.612 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.808 25.867 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.279 25.293 2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.459 28.374 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.615 27.802 2.152 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.293 29.732 2.427 1.00 0.00 H new ATOM 1168 N THR A 76 -4.126 21.904 2.551 1.00 0.00 N ATOM 1169 CA THR A 76 -4.671 20.620 2.144 1.00 0.00 C ATOM 1170 C THR A 76 -3.702 19.905 1.200 1.00 0.00 C ATOM 1171 O THR A 76 -2.614 20.407 0.924 1.00 0.00 O ATOM 1172 CB THR A 76 -6.050 20.865 1.528 1.00 0.00 C ATOM 1173 OG1 THR A 76 -5.784 21.041 0.140 1.00 0.00 O ATOM 1174 CG2 THR A 76 -6.656 22.200 1.964 1.00 0.00 C ATOM 0 H THR A 76 -4.404 22.691 1.965 1.00 0.00 H new ATOM 0 HA THR A 76 -4.795 19.954 2.998 1.00 0.00 H new ATOM 0 HB THR A 76 -6.722 20.053 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.625 21.204 -0.336 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.634 22.325 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.766 22.213 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.001 23.015 1.656 1.00 0.00 H new ATOM 1182 N PRO A 77 -4.145 18.713 0.717 1.00 0.00 N ATOM 1183 CA PRO A 77 -3.329 17.924 -0.191 1.00 0.00 C ATOM 1184 C PRO A 77 -3.328 18.531 -1.595 1.00 0.00 C ATOM 1185 O PRO A 77 -2.300 18.539 -2.271 1.00 0.00 O ATOM 1186 CB PRO A 77 -3.931 16.529 -0.148 1.00 0.00 C ATOM 1187 CG PRO A 77 -5.332 16.696 0.417 1.00 0.00 C ATOM 1188 CD PRO A 77 -5.428 18.087 1.022 1.00 0.00 C ATOM 0 HA PRO A 77 -2.279 17.900 0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.962 16.086 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.334 15.865 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.078 16.569 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.532 15.936 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.256 18.650 0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.600 18.040 2.097 1.00 0.00 H new ATOM 1196 N ALA A 78 -4.491 19.025 -1.993 1.00 0.00 N ATOM 1197 CA ALA A 78 -4.637 19.633 -3.304 1.00 0.00 C ATOM 1198 C ALA A 78 -4.143 21.079 -3.249 1.00 0.00 C ATOM 1199 O ALA A 78 -3.770 21.651 -4.272 1.00 0.00 O ATOM 1200 CB ALA A 78 -6.096 19.532 -3.754 1.00 0.00 C ATOM 0 H ALA A 78 -5.341 19.016 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.031 19.106 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.206 19.988 -4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.389 18.483 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.734 20.052 -3.040 1.00 0.00 H new ATOM 1206 N GLU A 79 -4.156 21.630 -2.044 1.00 0.00 N ATOM 1207 CA GLU A 79 -3.713 22.999 -1.842 1.00 0.00 C ATOM 1208 C GLU A 79 -2.252 23.153 -2.270 1.00 0.00 C ATOM 1209 O GLU A 79 -1.854 24.207 -2.764 1.00 0.00 O ATOM 1210 CB GLU A 79 -3.906 23.429 -0.386 1.00 0.00 C ATOM 1211 CG GLU A 79 -3.427 24.866 -0.171 1.00 0.00 C ATOM 1212 CD GLU A 79 -4.353 25.614 0.791 1.00 0.00 C ATOM 1213 OE1 GLU A 79 -5.102 24.980 1.550 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -4.276 26.900 0.733 1.00 0.00 O ATOM 0 H GLU A 79 -4.466 21.153 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.324 23.653 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.959 23.349 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.356 22.756 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.412 24.859 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.391 25.388 -1.127 1.00 0.00 H new ATOM 1222 N TRP A 80 -1.493 22.087 -2.065 1.00 0.00 N ATOM 1223 CA TRP A 80 -0.085 22.090 -2.423 1.00 0.00 C ATOM 1224 C TRP A 80 0.019 22.330 -3.931 1.00 0.00 C ATOM 1225 O TRP A 80 0.356 23.430 -4.366 1.00 0.00 O ATOM 1226 CB TRP A 80 0.598 20.797 -1.975 1.00 0.00 C ATOM 1227 CG TRP A 80 1.942 21.012 -1.275 1.00 0.00 C ATOM 1228 CD1 TRP A 80 2.511 20.252 -0.330 1.00 0.00 C ATOM 1229 CD2 TRP A 80 2.867 22.095 -1.506 1.00 0.00 C ATOM 1230 NE1 TRP A 80 3.730 20.764 0.064 1.00 0.00 N ATOM 1231 CE2 TRP A 80 3.954 21.920 -0.674 1.00 0.00 C ATOM 1232 CE3 TRP A 80 2.788 23.187 -2.389 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 5.044 22.798 -0.642 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 3.886 24.055 -2.345 1.00 0.00 C ATOM 1235 CH2 TRP A 80 4.988 23.893 -1.513 1.00 0.00 C ATOM 0 H TRP A 80 -1.827 21.215 -1.655 1.00 0.00 H new ATOM 0 HA TRP A 80 0.442 22.891 -1.906 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.069 20.261 -1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.751 20.159 -2.845 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.071 19.352 0.073 1.00 0.00 H new ATOM 0 HE1 TRP A 80 4.353 20.367 0.768 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.947 23.344 -3.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 5.883 22.639 0.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.876 24.911 -3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.797 24.608 -1.538 1.00 0.00 H new ATOM 1246 N ALA A 81 -0.278 21.282 -4.686 1.00 0.00 N ATOM 1247 CA ALA A 81 -0.222 21.365 -6.135 1.00 0.00 C ATOM 1248 C ALA A 81 -0.759 22.725 -6.585 1.00 0.00 C ATOM 1249 O ALA A 81 -0.101 23.437 -7.342 1.00 0.00 O ATOM 1250 CB ALA A 81 -1.005 20.199 -6.744 1.00 0.00 C ATOM 0 H ALA A 81 -0.558 20.372 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 81 0.807 21.285 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.963 20.261 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.566 19.256 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.044 20.248 -6.418 1.00 0.00 H new ATOM 1256 N ARG A 82 -1.950 23.046 -6.100 1.00 0.00 N ATOM 1257 CA ARG A 82 -2.583 24.308 -6.443 1.00 0.00 C ATOM 1258 C ARG A 82 -1.652 25.476 -6.109 1.00 0.00 C ATOM 1259 O ARG A 82 -1.574 26.446 -6.861 1.00 0.00 O ATOM 1260 CB ARG A 82 -3.903 24.485 -5.689 1.00 0.00 C ATOM 1261 CG ARG A 82 -4.679 25.691 -6.220 1.00 0.00 C ATOM 1262 CD ARG A 82 -5.328 26.473 -5.075 1.00 0.00 C ATOM 1263 NE ARG A 82 -6.712 26.848 -5.439 1.00 0.00 N ATOM 1264 CZ ARG A 82 -7.461 27.737 -4.752 1.00 0.00 C ATOM 1265 NH1 ARG A 82 -6.963 28.351 -3.658 1.00 0.00 N ATOM 1266 NH2 ARG A 82 -8.687 27.996 -5.167 1.00 0.00 N ATOM 0 H ARG A 82 -2.493 22.453 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.788 24.296 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.508 23.584 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.704 24.616 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.007 26.344 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.447 25.356 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.333 25.869 -4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.745 27.368 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.126 26.407 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.014 28.145 -3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.535 29.021 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.055 27.527 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.266 28.665 -4.660 1.00 0.00 H new ATOM 1279 N ASP A 83 -0.970 25.344 -4.981 1.00 0.00 N ATOM 1280 CA ASP A 83 -0.049 26.376 -4.539 1.00 0.00 C ATOM 1281 C ASP A 83 1.190 26.367 -5.437 1.00 0.00 C ATOM 1282 O ASP A 83 1.663 27.421 -5.859 1.00 0.00 O ATOM 1283 CB ASP A 83 0.409 26.127 -3.100 1.00 0.00 C ATOM 1284 CG ASP A 83 -0.161 27.097 -2.063 1.00 0.00 C ATOM 1285 OD1 ASP A 83 -0.675 26.681 -1.014 1.00 0.00 O ATOM 1286 OD2 ASP A 83 -0.059 28.345 -2.371 1.00 0.00 O ATOM 0 H ASP A 83 -1.037 24.538 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.566 27.334 -4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.131 25.112 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.497 26.181 -3.066 1.00 0.00 H new ATOM 1292 N ARG A 84 1.679 25.165 -5.703 1.00 0.00 N ATOM 1293 CA ARG A 84 2.854 25.004 -6.544 1.00 0.00 C ATOM 1294 C ARG A 84 2.525 25.374 -7.992 1.00 0.00 C ATOM 1295 O ARG A 84 3.416 25.716 -8.767 1.00 0.00 O ATOM 1296 CB ARG A 84 3.372 23.566 -6.497 1.00 0.00 C ATOM 1297 CG ARG A 84 4.901 23.535 -6.447 1.00 0.00 C ATOM 1298 CD ARG A 84 5.395 22.603 -5.339 1.00 0.00 C ATOM 1299 NE ARG A 84 6.185 21.496 -5.923 1.00 0.00 N ATOM 1300 CZ ARG A 84 7.493 21.587 -6.243 1.00 0.00 C ATOM 1301 NH1 ARG A 84 8.170 22.736 -6.038 1.00 0.00 N ATOM 1302 NH2 ARG A 84 8.100 20.534 -6.760 1.00 0.00 N ATOM 0 H ARG A 84 1.283 24.293 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 84 3.629 25.669 -6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.966 23.058 -5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.022 23.021 -7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.293 23.203 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.283 24.542 -6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.005 23.161 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.546 22.202 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 84 5.711 20.609 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.693 23.544 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.158 22.796 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.581 19.669 -6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.088 20.585 -7.008 1.00 0.00 H new ATOM 1315 N LYS A 85 1.242 25.292 -8.313 1.00 0.00 N ATOM 1316 CA LYS A 85 0.784 25.613 -9.654 1.00 0.00 C ATOM 1317 C LYS A 85 0.510 27.115 -9.748 1.00 0.00 C ATOM 1318 O LYS A 85 0.433 27.668 -10.845 1.00 0.00 O ATOM 1319 CB LYS A 85 -0.417 24.744 -10.033 1.00 0.00 C ATOM 1320 CG LYS A 85 -0.009 23.640 -11.010 1.00 0.00 C ATOM 1321 CD LYS A 85 0.097 22.290 -10.298 1.00 0.00 C ATOM 1322 CE LYS A 85 -1.208 21.500 -10.424 1.00 0.00 C ATOM 1323 NZ LYS A 85 -1.365 20.976 -11.799 1.00 0.00 N ATOM 0 H LYS A 85 0.505 25.008 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 85 1.558 25.383 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.846 24.299 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.192 25.365 -10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.740 23.574 -11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.948 23.890 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.918 21.713 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.331 22.447 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.211 20.675 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.054 22.141 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.042 20.187 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.718 21.732 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.445 20.641 -12.150 1.00 0.00 H new ATOM 1336 N LEU A 86 0.372 27.734 -8.585 1.00 0.00 N ATOM 1337 CA LEU A 86 0.109 29.161 -8.523 1.00 0.00 C ATOM 1338 C LEU A 86 1.368 29.926 -8.935 1.00 0.00 C ATOM 1339 O LEU A 86 2.284 29.351 -9.521 1.00 0.00 O ATOM 1340 CB LEU A 86 -0.421 29.549 -7.140 1.00 0.00 C ATOM 1341 CG LEU A 86 -1.940 29.676 -7.016 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -2.330 30.313 -5.680 1.00 0.00 C ATOM 1343 CD2 LEU A 86 -2.526 30.439 -8.207 1.00 0.00 C ATOM 0 H LEU A 86 0.437 27.273 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.676 29.434 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.078 28.806 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.028 30.500 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.369 28.674 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.415 30.392 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.963 29.694 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.889 31.307 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.607 30.515 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.094 31.439 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.294 29.907 -9.130 1.00 0.00 H new ATOM 1355 N ASN A 87 1.373 31.211 -8.613 1.00 0.00 N ATOM 1356 CA ASN A 87 2.505 32.061 -8.943 1.00 0.00 C ATOM 1357 C ASN A 87 3.248 32.435 -7.659 1.00 0.00 C ATOM 1358 O ASN A 87 3.939 33.451 -7.611 1.00 0.00 O ATOM 1359 CB ASN A 87 2.044 33.355 -9.616 1.00 0.00 C ATOM 1360 CG ASN A 87 1.124 33.059 -10.802 1.00 0.00 C ATOM 1361 OD1 ASN A 87 1.127 31.979 -11.369 1.00 0.00 O ATOM 1362 ND2 ASN A 87 0.338 34.076 -11.144 1.00 0.00 N ATOM 0 H ASN A 87 0.611 31.685 -8.127 1.00 0.00 H new ATOM 0 HA ASN A 87 3.153 31.510 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.520 33.979 -8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.911 33.921 -9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.313 33.978 -11.923 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.386 34.954 -10.627 1.00 0.00 H new ATOM 1369 N GLY A 88 3.081 31.592 -6.650 1.00 0.00 N ATOM 1370 CA GLY A 88 3.728 31.821 -5.369 1.00 0.00 C ATOM 1371 C GLY A 88 4.802 30.765 -5.101 1.00 0.00 C ATOM 1372 O GLY A 88 5.793 31.041 -4.426 1.00 0.00 O ATOM 0 H GLY A 88 2.507 30.750 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.178 32.814 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.984 31.799 -4.573 1.00 0.00 H new ATOM 1376 N PHE A 89 4.569 29.579 -5.643 1.00 0.00 N ATOM 1377 CA PHE A 89 5.505 28.481 -5.470 1.00 0.00 C ATOM 1378 C PHE A 89 6.032 27.992 -6.821 1.00 0.00 C ATOM 1379 O PHE A 89 6.850 27.075 -6.878 1.00 0.00 O ATOM 1380 CB PHE A 89 4.739 27.343 -4.793 1.00 0.00 C ATOM 1381 CG PHE A 89 4.789 27.384 -3.264 1.00 0.00 C ATOM 1382 CD1 PHE A 89 5.900 26.954 -2.608 1.00 0.00 C ATOM 1383 CD2 PHE A 89 3.721 27.849 -2.561 1.00 0.00 C ATOM 1384 CE1 PHE A 89 5.946 26.992 -1.189 1.00 0.00 C ATOM 1385 CE2 PHE A 89 3.767 27.887 -1.143 1.00 0.00 C ATOM 1386 CZ PHE A 89 4.879 27.458 -0.486 1.00 0.00 C ATOM 0 H PHE A 89 3.746 29.354 -6.202 1.00 0.00 H new ATOM 0 HA PHE A 89 6.357 28.809 -4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.698 27.378 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.146 26.391 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.747 26.584 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.838 28.189 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.828 26.651 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.919 28.256 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.914 27.488 0.593 1.00 0.00 H new ATOM 1396 N LEU A 90 5.541 28.626 -7.876 1.00 0.00 N ATOM 1397 CA LEU A 90 5.951 28.267 -9.223 1.00 0.00 C ATOM 1398 C LEU A 90 6.613 29.475 -9.889 1.00 0.00 C ATOM 1399 O LEU A 90 7.137 29.368 -10.997 1.00 0.00 O ATOM 1400 CB LEU A 90 4.768 27.702 -10.011 1.00 0.00 C ATOM 1401 CG LEU A 90 4.553 28.286 -11.409 1.00 0.00 C ATOM 1402 CD1 LEU A 90 4.405 29.808 -11.350 1.00 0.00 C ATOM 1403 CD2 LEU A 90 5.670 27.855 -12.361 1.00 0.00 C ATOM 0 H LEU A 90 4.863 29.386 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 90 6.695 27.471 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.902 26.624 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.860 27.861 -9.429 1.00 0.00 H new ATOM 0 HG LEU A 90 3.620 27.887 -11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.253 30.198 -12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.548 30.066 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.308 30.245 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.493 28.284 -13.347 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.629 28.206 -11.980 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.685 26.768 -12.435 1.00 0.00 H new ATOM 1415 N GLU A 91 6.568 30.596 -9.185 1.00 0.00 N ATOM 1416 CA GLU A 91 7.157 31.823 -9.694 1.00 0.00 C ATOM 1417 C GLU A 91 6.143 32.583 -10.550 1.00 0.00 C ATOM 1418 O GLU A 91 4.965 32.231 -10.584 1.00 0.00 O ATOM 1419 CB GLU A 91 8.434 31.532 -10.486 1.00 0.00 C ATOM 1420 CG GLU A 91 9.473 32.634 -10.275 1.00 0.00 C ATOM 1421 CD GLU A 91 10.596 32.160 -9.350 1.00 0.00 C ATOM 1422 OE1 GLU A 91 10.865 30.952 -9.271 1.00 0.00 O ATOM 1423 OE2 GLU A 91 11.199 33.096 -8.700 1.00 0.00 O ATOM 0 H GLU A 91 6.133 30.681 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 91 7.430 32.450 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.848 30.573 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.197 31.449 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.891 32.933 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.993 33.514 -9.848 1.00 0.00 H new ATOM 1431 N HIS A 92 6.637 33.613 -11.222 1.00 0.00 N ATOM 1432 CA HIS A 92 5.788 34.426 -12.077 1.00 0.00 C ATOM 1433 C HIS A 92 6.615 34.992 -13.233 1.00 0.00 C ATOM 1434 O HIS A 92 6.502 36.171 -13.563 1.00 0.00 O ATOM 1435 CB HIS A 92 5.082 35.514 -11.264 1.00 0.00 C ATOM 1436 CG HIS A 92 5.682 35.746 -9.898 1.00 0.00 C ATOM 1437 ND1 HIS A 92 4.936 35.691 -8.733 1.00 0.00 N ATOM 1438 CD2 HIS A 92 6.961 36.033 -9.523 1.00 0.00 C ATOM 1439 CE1 HIS A 92 5.741 35.937 -7.710 1.00 0.00 C ATOM 1440 NE2 HIS A 92 6.996 36.149 -8.202 1.00 0.00 N ATOM 0 H HIS A 92 7.614 33.903 -11.192 1.00 0.00 H new ATOM 0 HA HIS A 92 5.001 33.807 -12.508 1.00 0.00 H new ATOM 0 HB2 HIS A 92 5.110 36.448 -11.825 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.033 35.243 -11.147 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.937 35.495 -8.673 1.00 0.00 H new ATOM 0 HD2 HIS A 92 7.804 36.147 -10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.454 35.965 -6.669 1.00 0.00 H new ATOM 1448 N HIS A 93 7.428 34.124 -13.816 1.00 0.00 N ATOM 1449 CA HIS A 93 8.274 34.523 -14.929 1.00 0.00 C ATOM 1450 C HIS A 93 9.467 35.325 -14.405 1.00 0.00 C ATOM 1451 O HIS A 93 9.645 35.460 -13.195 1.00 0.00 O ATOM 1452 CB HIS A 93 7.465 35.282 -15.982 1.00 0.00 C ATOM 1453 CG HIS A 93 7.597 34.724 -17.378 1.00 0.00 C ATOM 1454 ND1 HIS A 93 8.591 35.123 -18.255 1.00 0.00 N ATOM 1455 CD2 HIS A 93 6.851 33.793 -18.040 1.00 0.00 C ATOM 1456 CE1 HIS A 93 8.440 34.456 -19.390 1.00 0.00 C ATOM 1457 NE2 HIS A 93 7.360 33.633 -19.255 1.00 0.00 N ATOM 0 H HIS A 93 7.519 33.146 -13.539 1.00 0.00 H new ATOM 0 HA HIS A 93 8.667 33.637 -15.427 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.413 35.270 -15.695 1.00 0.00 H new ATOM 0 HB3 HIS A 93 7.783 36.325 -15.987 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.991 33.274 -17.642 1.00 0.00 H new ATOM 0 HE1 HIS A 93 9.062 34.548 -20.268 1.00 0.00 H new ATOM 0 HE2 HIS A 93 7.003 32.999 -19.970 1.00 0.00 H new ATOM 1465 N HIS A 94 10.252 35.837 -15.341 1.00 0.00 N ATOM 1466 CA HIS A 94 11.422 36.623 -14.989 1.00 0.00 C ATOM 1467 C HIS A 94 12.370 35.777 -14.136 1.00 0.00 C ATOM 1468 O HIS A 94 12.003 34.695 -13.680 1.00 0.00 O ATOM 1469 CB HIS A 94 11.014 37.929 -14.305 1.00 0.00 C ATOM 1470 CG HIS A 94 11.683 39.156 -14.877 1.00 0.00 C ATOM 1471 ND1 HIS A 94 12.957 39.554 -14.512 1.00 0.00 N ATOM 1472 CD2 HIS A 94 11.242 40.068 -15.790 1.00 0.00 C ATOM 1473 CE1 HIS A 94 13.259 40.657 -15.181 1.00 0.00 C ATOM 1474 NE2 HIS A 94 12.194 40.974 -15.972 1.00 0.00 N ATOM 0 H HIS A 94 10.101 35.723 -16.343 1.00 0.00 H new ATOM 0 HA HIS A 94 11.959 36.908 -15.894 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.933 38.047 -14.384 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.250 37.860 -13.243 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.281 40.055 -16.282 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.185 41.208 -15.112 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.139 41.776 -16.600 1.00 0.00 H new ATOM 1482 N HIS A 95 13.571 36.303 -13.945 1.00 0.00 N ATOM 1483 CA HIS A 95 14.574 35.611 -13.154 1.00 0.00 C ATOM 1484 C HIS A 95 15.845 36.460 -13.079 1.00 0.00 C ATOM 1485 O HIS A 95 15.989 37.435 -13.815 1.00 0.00 O ATOM 1486 CB HIS A 95 14.831 34.208 -13.710 1.00 0.00 C ATOM 1487 CG HIS A 95 15.961 33.475 -13.027 1.00 0.00 C ATOM 1488 ND1 HIS A 95 16.059 33.363 -11.651 1.00 0.00 N ATOM 1489 CD2 HIS A 95 17.037 32.817 -13.545 1.00 0.00 C ATOM 1490 CE1 HIS A 95 17.150 32.668 -11.365 1.00 0.00 C ATOM 1491 NE2 HIS A 95 17.755 32.331 -12.540 1.00 0.00 N ATOM 0 H HIS A 95 13.872 37.201 -14.325 1.00 0.00 H new ATOM 0 HA HIS A 95 14.209 35.475 -12.136 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.919 33.618 -13.616 1.00 0.00 H new ATOM 0 HB3 HIS A 95 15.052 34.285 -14.775 1.00 0.00 H new ATOM 0 HD2 HIS A 95 17.266 32.709 -14.595 1.00 0.00 H new ATOM 0 HE1 HIS A 95 17.499 32.413 -10.375 1.00 0.00 H new ATOM 0 HE2 HIS A 95 18.617 31.794 -12.631 1.00 0.00 H new ATOM 1499 N HIS A 96 16.734 36.059 -12.182 1.00 0.00 N ATOM 1500 CA HIS A 96 17.987 36.771 -12.001 1.00 0.00 C ATOM 1501 C HIS A 96 17.722 38.108 -11.304 1.00 0.00 C ATOM 1502 O HIS A 96 18.174 38.327 -10.182 1.00 0.00 O ATOM 1503 CB HIS A 96 18.718 36.933 -13.335 1.00 0.00 C ATOM 1504 CG HIS A 96 20.181 37.280 -13.195 1.00 0.00 C ATOM 1505 ND1 HIS A 96 20.622 38.424 -12.554 1.00 0.00 N ATOM 1506 CD2 HIS A 96 21.298 36.622 -13.620 1.00 0.00 C ATOM 1507 CE1 HIS A 96 21.946 38.444 -12.597 1.00 0.00 C ATOM 1508 NE2 HIS A 96 22.363 37.327 -13.259 1.00 0.00 N ATOM 0 H HIS A 96 16.611 35.250 -11.573 1.00 0.00 H new ATOM 0 HA HIS A 96 18.649 36.191 -11.359 1.00 0.00 H new ATOM 0 HB2 HIS A 96 18.627 36.007 -13.902 1.00 0.00 H new ATOM 0 HB3 HIS A 96 18.224 37.712 -13.916 1.00 0.00 H new ATOM 0 HD2 HIS A 96 21.313 35.686 -14.159 1.00 0.00 H new ATOM 0 HE1 HIS A 96 22.583 39.210 -12.181 1.00 0.00 H new ATOM 0 HE2 HIS A 96 23.334 37.075 -13.446 1.00 0.00 H new ATOM 1516 N HIS A 97 16.990 38.966 -12.000 1.00 0.00 N ATOM 1517 CA HIS A 97 16.660 40.275 -11.463 1.00 0.00 C ATOM 1518 C HIS A 97 15.159 40.528 -11.615 1.00 0.00 C ATOM 1519 O HIS A 97 14.407 40.427 -10.646 1.00 0.00 O ATOM 1520 CB HIS A 97 17.513 41.362 -12.118 1.00 0.00 C ATOM 1521 CG HIS A 97 16.846 42.716 -12.175 1.00 0.00 C ATOM 1522 ND1 HIS A 97 16.419 43.389 -11.044 1.00 0.00 N ATOM 1523 CD2 HIS A 97 16.538 43.514 -13.237 1.00 0.00 C ATOM 1524 CE1 HIS A 97 15.879 44.539 -11.421 1.00 0.00 C ATOM 1525 NE2 HIS A 97 15.953 44.614 -12.781 1.00 0.00 N ATOM 0 H HIS A 97 16.616 38.780 -12.931 1.00 0.00 H new ATOM 0 HA HIS A 97 16.893 40.304 -10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 97 18.451 41.453 -11.570 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.765 41.050 -13.131 1.00 0.00 H new ATOM 0 HD2 HIS A 97 16.737 43.289 -14.274 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.455 45.286 -10.766 1.00 0.00 H new ATOM 0 HE2 HIS A 97 15.615 45.388 -13.353 1.00 0.00 H new TER 1533 HIS A 97