USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 729 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 18 ASN : amide:sc= -0.217 K(o=-7.1,f=-7.9) USER MOD Set 1.2: A 87 GLN : amide:sc= -4.92! C(o=-7.1!,f=-12!) USER MOD Set 1.3: A 89 GLN : amide:sc= -1.96 K(o=-7.1,f=-22!) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.249 X(o=-0.25,f=0) USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0668 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.029 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 155:sc= -0.708 (180deg=-2.43!) USER MOD Single : A 14 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.44) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.877 X(o=-0.88,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -2.63 K(o=-2.6,f=-6.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.341 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -110:sc= -1.98! (180deg=-3.31!) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= -0.0709 (180deg=-0.137) USER MOD Single : A 48 SER OG : rot 172:sc= -0.2! USER MOD Single : A 52 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -14.8! C(o=-15!,f=-27!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -38:sc= 0.518 USER MOD Single : A 63 ASN : amide:sc= -0.532 K(o=-0.53,f=-3!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.012 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.346 K(o=0.35,f=-0.93) USER MOD Single : A 74 TYR OH : rot -119:sc= -0.951 USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= 0.812 (180deg=0.141) USER MOD Single : A 80 MET CE :methyl -116:sc= -1.35 (180deg=-3.49!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.041) USER MOD Single : A 86 ASN : amide:sc= -0.404 K(o=-0.4,f=-2!) USER MOD Single : A 90 MET CE :methyl -108:sc= -0.988 (180deg=-2.08!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -1.11 F(o=-2.4,f=-1.1) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.021 -17.024 6.641 1.00 0.00 N ATOM 2 CA GLY A 1 -25.563 -18.199 5.919 1.00 0.00 C ATOM 3 C GLY A 1 -24.532 -17.820 4.853 1.00 0.00 C ATOM 4 O GLY A 1 -24.443 -16.659 4.456 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.548 -16.979 7.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.793 -16.170 6.094 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.050 -17.082 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.124 -18.911 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.412 -18.695 5.449 1.00 0.00 H new ATOM 8 N SER A 2 -23.779 -18.821 4.422 1.00 0.00 N ATOM 9 CA SER A 2 -22.758 -18.607 3.410 1.00 0.00 C ATOM 10 C SER A 2 -22.587 -19.870 2.563 1.00 0.00 C ATOM 11 O SER A 2 -22.218 -20.923 3.080 1.00 0.00 O ATOM 12 CB SER A 2 -21.425 -18.212 4.048 1.00 0.00 C ATOM 13 OG SER A 2 -21.565 -17.110 4.941 1.00 0.00 O ATOM 0 H SER A 2 -23.855 -19.782 4.755 1.00 0.00 H new ATOM 0 HA SER A 2 -23.080 -17.787 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.014 -19.066 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.711 -17.956 3.266 1.00 0.00 H new ATOM 0 HG SER A 2 -20.692 -16.890 5.328 1.00 0.00 H new ATOM 19 N SER A 3 -22.866 -19.723 1.276 1.00 0.00 N ATOM 20 CA SER A 3 -22.748 -20.839 0.353 1.00 0.00 C ATOM 21 C SER A 3 -21.477 -20.691 -0.487 1.00 0.00 C ATOM 22 O SER A 3 -21.074 -19.577 -0.818 1.00 0.00 O ATOM 23 CB SER A 3 -23.976 -20.935 -0.554 1.00 0.00 C ATOM 24 OG SER A 3 -24.903 -21.914 -0.096 1.00 0.00 O ATOM 0 H SER A 3 -23.173 -18.848 0.851 1.00 0.00 H new ATOM 0 HA SER A 3 -22.686 -21.759 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.468 -19.964 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.660 -21.182 -1.567 1.00 0.00 H new ATOM 0 HG SER A 3 -25.673 -21.943 -0.701 1.00 0.00 H new ATOM 30 N GLY A 4 -20.882 -21.830 -0.807 1.00 0.00 N ATOM 31 CA GLY A 4 -19.666 -21.842 -1.602 1.00 0.00 C ATOM 32 C GLY A 4 -18.538 -22.570 -0.868 1.00 0.00 C ATOM 33 O GLY A 4 -18.736 -23.078 0.234 1.00 0.00 O ATOM 0 H GLY A 4 -21.219 -22.752 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.857 -22.330 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.361 -20.819 -1.822 1.00 0.00 H new ATOM 37 N SER A 5 -17.379 -22.598 -1.510 1.00 0.00 N ATOM 38 CA SER A 5 -16.220 -23.256 -0.932 1.00 0.00 C ATOM 39 C SER A 5 -14.946 -22.784 -1.636 1.00 0.00 C ATOM 40 O SER A 5 -14.743 -23.068 -2.816 1.00 0.00 O ATOM 41 CB SER A 5 -16.346 -24.778 -1.027 1.00 0.00 C ATOM 42 OG SER A 5 -16.389 -25.391 0.259 1.00 0.00 O ATOM 0 H SER A 5 -17.218 -22.176 -2.424 1.00 0.00 H new ATOM 0 HA SER A 5 -16.165 -22.988 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.250 -25.033 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.503 -25.177 -1.591 1.00 0.00 H new ATOM 0 HG SER A 5 -16.471 -26.362 0.156 1.00 0.00 H new ATOM 48 N SER A 6 -14.120 -22.073 -0.883 1.00 0.00 N ATOM 49 CA SER A 6 -12.872 -21.559 -1.419 1.00 0.00 C ATOM 50 C SER A 6 -11.971 -21.077 -0.280 1.00 0.00 C ATOM 51 O SER A 6 -12.438 -20.421 0.649 1.00 0.00 O ATOM 52 CB SER A 6 -13.125 -20.423 -2.413 1.00 0.00 C ATOM 53 OG SER A 6 -12.129 -20.373 -3.431 1.00 0.00 O ATOM 0 H SER A 6 -14.291 -21.841 0.095 1.00 0.00 H new ATOM 0 HA SER A 6 -12.371 -22.367 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.105 -20.554 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.146 -19.473 -1.880 1.00 0.00 H new ATOM 0 HG SER A 6 -12.327 -19.636 -4.046 1.00 0.00 H new ATOM 59 N GLY A 7 -10.697 -21.422 -0.390 1.00 0.00 N ATOM 60 CA GLY A 7 -9.727 -21.033 0.619 1.00 0.00 C ATOM 61 C GLY A 7 -8.412 -21.794 0.438 1.00 0.00 C ATOM 62 O GLY A 7 -8.412 -22.952 0.023 1.00 0.00 O ATOM 0 H GLY A 7 -10.314 -21.967 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.542 -19.961 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.131 -21.229 1.612 1.00 0.00 H new ATOM 66 N PRO A 8 -7.293 -21.094 0.768 1.00 0.00 N ATOM 67 CA PRO A 8 -5.974 -21.692 0.646 1.00 0.00 C ATOM 68 C PRO A 8 -5.720 -22.695 1.773 1.00 0.00 C ATOM 69 O PRO A 8 -5.535 -23.884 1.520 1.00 0.00 O ATOM 70 CB PRO A 8 -5.007 -20.519 0.666 1.00 0.00 C ATOM 71 CG PRO A 8 -5.779 -19.353 1.262 1.00 0.00 C ATOM 72 CD PRO A 8 -7.254 -19.721 1.262 1.00 0.00 C ATOM 0 HA PRO A 8 -5.858 -22.271 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.125 -20.750 1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.658 -20.283 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.437 -19.148 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.612 -18.447 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.680 -19.648 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.829 -19.053 0.621 1.00 0.00 H new ATOM 80 N HIS A 9 -5.719 -22.178 2.993 1.00 0.00 N ATOM 81 CA HIS A 9 -5.491 -23.014 4.159 1.00 0.00 C ATOM 82 C HIS A 9 -5.591 -22.163 5.427 1.00 0.00 C ATOM 83 O HIS A 9 -6.322 -22.507 6.354 1.00 0.00 O ATOM 84 CB HIS A 9 -4.157 -23.754 4.045 1.00 0.00 C ATOM 85 CG HIS A 9 -3.634 -24.282 5.359 1.00 0.00 C ATOM 86 ND1 HIS A 9 -3.817 -25.593 5.766 1.00 0.00 N ATOM 87 CD2 HIS A 9 -2.931 -23.665 6.352 1.00 0.00 C ATOM 88 CE1 HIS A 9 -3.246 -25.745 6.952 1.00 0.00 C ATOM 89 NE2 HIS A 9 -2.698 -24.550 7.314 1.00 0.00 N ATOM 0 H HIS A 9 -5.872 -21.191 3.199 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.262 -23.783 4.217 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.273 -24.586 3.351 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.415 -23.081 3.614 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.617 -22.632 6.355 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.219 -26.656 7.531 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.193 -24.366 8.181 1.00 0.00 H new ATOM 97 N SER A 10 -4.844 -21.068 5.427 1.00 0.00 N ATOM 98 CA SER A 10 -4.839 -20.166 6.566 1.00 0.00 C ATOM 99 C SER A 10 -5.450 -18.820 6.169 1.00 0.00 C ATOM 100 O SER A 10 -5.711 -18.575 4.993 1.00 0.00 O ATOM 101 CB SER A 10 -3.421 -19.967 7.104 1.00 0.00 C ATOM 102 OG SER A 10 -3.183 -20.740 8.278 1.00 0.00 O ATOM 0 H SER A 10 -4.238 -20.786 4.656 1.00 0.00 H new ATOM 0 HA SER A 10 -5.440 -20.612 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.699 -20.243 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.262 -18.912 7.326 1.00 0.00 H new ATOM 0 HG SER A 10 -2.267 -20.587 8.590 1.00 0.00 H new ATOM 108 N MET A 11 -5.660 -17.983 7.175 1.00 0.00 N ATOM 109 CA MET A 11 -6.236 -16.668 6.946 1.00 0.00 C ATOM 110 C MET A 11 -5.815 -15.688 8.043 1.00 0.00 C ATOM 111 O MET A 11 -6.345 -15.727 9.152 1.00 0.00 O ATOM 112 CB MET A 11 -7.761 -16.777 6.915 1.00 0.00 C ATOM 113 CG MET A 11 -8.290 -16.674 5.483 1.00 0.00 C ATOM 114 SD MET A 11 -9.421 -18.014 5.152 1.00 0.00 S ATOM 115 CE MET A 11 -9.404 -18.000 3.367 1.00 0.00 C ATOM 0 H MET A 11 -5.442 -18.190 8.150 1.00 0.00 H new ATOM 0 HA MET A 11 -5.871 -16.293 5.990 1.00 0.00 H new ATOM 0 HB2 MET A 11 -8.070 -17.726 7.353 1.00 0.00 H new ATOM 0 HB3 MET A 11 -8.198 -15.987 7.525 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.794 -15.718 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.460 -16.705 4.777 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.670 -18.989 2.993 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.125 -17.268 3.002 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.407 -17.735 3.015 1.00 0.00 H new ATOM 125 N GLU A 12 -4.867 -14.831 7.694 1.00 0.00 N ATOM 126 CA GLU A 12 -4.369 -13.842 8.635 1.00 0.00 C ATOM 127 C GLU A 12 -4.410 -12.446 8.009 1.00 0.00 C ATOM 128 O GLU A 12 -4.321 -12.306 6.790 1.00 0.00 O ATOM 129 CB GLU A 12 -2.955 -14.192 9.103 1.00 0.00 C ATOM 130 CG GLU A 12 -2.991 -14.993 10.406 1.00 0.00 C ATOM 131 CD GLU A 12 -2.802 -16.487 10.137 1.00 0.00 C ATOM 132 OE1 GLU A 12 -1.627 -16.898 10.019 1.00 0.00 O ATOM 133 OE2 GLU A 12 -3.836 -17.185 10.056 1.00 0.00 O ATOM 0 H GLU A 12 -4.430 -14.801 6.773 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.017 -13.845 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.445 -14.769 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.380 -13.278 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.208 -14.639 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.942 -14.829 10.912 1.00 0.00 H new ATOM 140 N PRO A 13 -4.548 -11.423 8.894 1.00 0.00 N ATOM 141 CA PRO A 13 -4.601 -10.043 8.441 1.00 0.00 C ATOM 142 C PRO A 13 -3.214 -9.547 8.031 1.00 0.00 C ATOM 143 O PRO A 13 -3.059 -8.922 6.983 1.00 0.00 O ATOM 144 CB PRO A 13 -5.188 -9.268 9.609 1.00 0.00 C ATOM 145 CG PRO A 13 -5.009 -10.155 10.831 1.00 0.00 C ATOM 146 CD PRO A 13 -4.657 -11.552 10.345 1.00 0.00 C ATOM 0 HA PRO A 13 -5.214 -9.916 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.677 -8.314 9.741 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.241 -9.045 9.439 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.220 -9.764 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.923 -10.176 11.425 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.721 -11.900 10.783 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.426 -12.273 10.622 1.00 0.00 H new ATOM 154 N GLN A 14 -2.240 -9.844 8.878 1.00 0.00 N ATOM 155 CA GLN A 14 -0.870 -9.435 8.617 1.00 0.00 C ATOM 156 C GLN A 14 -0.562 -9.537 7.122 1.00 0.00 C ATOM 157 O GLN A 14 -0.320 -10.627 6.606 1.00 0.00 O ATOM 158 CB GLN A 14 0.117 -10.269 9.438 1.00 0.00 C ATOM 159 CG GLN A 14 -0.044 -9.993 10.934 1.00 0.00 C ATOM 160 CD GLN A 14 0.933 -10.837 11.755 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.072 -12.033 11.564 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.599 -10.148 12.678 1.00 0.00 N ATOM 0 H GLN A 14 -2.372 -10.363 9.746 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.757 -8.395 8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.045 -11.329 9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.137 -10.039 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.128 -8.935 11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.067 -10.213 11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.434 -9.147 12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.274 -10.621 13.279 1.00 0.00 H new ATOM 171 N VAL A 15 -0.581 -8.385 6.467 1.00 0.00 N ATOM 172 CA VAL A 15 -0.306 -8.330 5.041 1.00 0.00 C ATOM 173 C VAL A 15 1.090 -7.745 4.817 1.00 0.00 C ATOM 174 O VAL A 15 1.520 -6.856 5.550 1.00 0.00 O ATOM 175 CB VAL A 15 -1.406 -7.542 4.327 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.892 -6.952 3.012 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.641 -8.414 4.091 1.00 0.00 C ATOM 0 H VAL A 15 -0.783 -7.483 6.898 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.311 -9.332 4.612 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.699 -6.715 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.693 -6.397 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.058 -6.281 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.558 -7.757 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.407 -7.829 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.369 -9.271 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.028 -8.764 5.048 1.00 0.00 H new ATOM 187 N THR A 16 1.759 -8.268 3.800 1.00 0.00 N ATOM 188 CA THR A 16 3.097 -7.810 3.470 1.00 0.00 C ATOM 189 C THR A 16 3.042 -6.752 2.365 1.00 0.00 C ATOM 190 O THR A 16 2.834 -7.079 1.198 1.00 0.00 O ATOM 191 CB THR A 16 3.938 -9.033 3.098 1.00 0.00 C ATOM 192 OG1 THR A 16 3.887 -9.855 4.260 1.00 0.00 O ATOM 193 CG2 THR A 16 5.423 -8.697 2.944 1.00 0.00 C ATOM 0 H THR A 16 1.399 -9.005 3.194 1.00 0.00 H new ATOM 0 HA THR A 16 3.568 -7.321 4.322 1.00 0.00 H new ATOM 0 HB THR A 16 3.564 -9.462 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.406 -10.672 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.975 -9.599 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.548 -7.952 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.806 -8.300 3.884 1.00 0.00 H new ATOM 201 N LEU A 17 3.230 -5.506 2.774 1.00 0.00 N ATOM 202 CA LEU A 17 3.204 -4.398 1.833 1.00 0.00 C ATOM 203 C LEU A 17 4.606 -4.192 1.256 1.00 0.00 C ATOM 204 O LEU A 17 5.457 -3.569 1.889 1.00 0.00 O ATOM 205 CB LEU A 17 2.621 -3.148 2.494 1.00 0.00 C ATOM 206 CG LEU A 17 1.164 -3.248 2.950 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.730 -1.975 3.681 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.243 -3.576 1.774 1.00 0.00 C ATOM 0 H LEU A 17 3.401 -5.239 3.743 1.00 0.00 H new ATOM 0 HA LEU A 17 2.544 -4.624 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.235 -2.899 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.705 -2.318 1.793 1.00 0.00 H new ATOM 0 HG LEU A 17 1.084 -4.071 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.309 -2.072 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.361 -1.826 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.829 -1.120 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.787 -3.641 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.320 -2.791 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.538 -4.529 1.336 1.00 0.00 H new ATOM 220 N ASN A 18 4.803 -4.727 0.060 1.00 0.00 N ATOM 221 CA ASN A 18 6.087 -4.609 -0.611 1.00 0.00 C ATOM 222 C ASN A 18 6.138 -3.285 -1.377 1.00 0.00 C ATOM 223 O ASN A 18 5.554 -3.164 -2.452 1.00 0.00 O ATOM 224 CB ASN A 18 6.290 -5.745 -1.615 1.00 0.00 C ATOM 225 CG ASN A 18 6.128 -7.108 -0.941 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.692 -7.384 0.105 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.328 -7.944 -1.597 1.00 0.00 N ATOM 0 H ASN A 18 4.095 -5.243 -0.462 1.00 0.00 H new ATOM 0 HA ASN A 18 6.869 -4.654 0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.570 -5.650 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.283 -5.670 -2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.156 -8.879 -1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.887 -7.650 -2.468 1.00 0.00 H new ATOM 234 N VAL A 19 6.842 -2.327 -0.792 1.00 0.00 N ATOM 235 CA VAL A 19 6.977 -1.017 -1.407 1.00 0.00 C ATOM 236 C VAL A 19 8.295 -0.955 -2.181 1.00 0.00 C ATOM 237 O VAL A 19 9.371 -1.026 -1.589 1.00 0.00 O ATOM 238 CB VAL A 19 6.857 0.075 -0.342 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.054 1.463 -0.955 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.517 -0.017 0.389 1.00 0.00 C ATOM 0 H VAL A 19 7.325 -2.431 0.101 1.00 0.00 H new ATOM 0 HA VAL A 19 6.172 -0.846 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 19 7.649 -0.083 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.964 2.221 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.044 1.524 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.295 1.635 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.458 0.770 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.703 0.102 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.434 -0.989 0.875 1.00 0.00 H new ATOM 250 N THR A 20 8.168 -0.823 -3.493 1.00 0.00 N ATOM 251 CA THR A 20 9.336 -0.751 -4.355 1.00 0.00 C ATOM 252 C THR A 20 9.532 0.677 -4.868 1.00 0.00 C ATOM 253 O THR A 20 8.909 1.079 -5.849 1.00 0.00 O ATOM 254 CB THR A 20 9.162 -1.780 -5.474 1.00 0.00 C ATOM 255 OG1 THR A 20 9.668 -2.989 -4.915 1.00 0.00 O ATOM 256 CG2 THR A 20 10.081 -1.508 -6.667 1.00 0.00 C ATOM 0 H THR A 20 7.274 -0.764 -3.981 1.00 0.00 H new ATOM 0 HA THR A 20 10.247 -0.995 -3.808 1.00 0.00 H new ATOM 0 HB THR A 20 8.124 -1.782 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.592 -3.711 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.918 -2.267 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.860 -0.523 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.120 -1.540 -6.340 1.00 0.00 H new ATOM 264 N PHE A 21 10.402 1.404 -4.181 1.00 0.00 N ATOM 265 CA PHE A 21 10.688 2.778 -4.554 1.00 0.00 C ATOM 266 C PHE A 21 11.862 2.847 -5.533 1.00 0.00 C ATOM 267 O PHE A 21 13.016 2.689 -5.137 1.00 0.00 O ATOM 268 CB PHE A 21 11.066 3.521 -3.271 1.00 0.00 C ATOM 269 CG PHE A 21 11.401 4.999 -3.483 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.794 5.697 -4.480 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.305 5.614 -2.675 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.105 7.069 -4.677 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.616 6.985 -2.872 1.00 0.00 C ATOM 274 CZ PHE A 21 12.010 7.684 -3.868 1.00 0.00 C ATOM 0 H PHE A 21 10.918 1.066 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 21 9.818 3.220 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.241 3.444 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.924 3.026 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.076 5.208 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.787 5.059 -1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.623 7.624 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.335 7.473 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.247 8.727 -4.017 1.00 0.00 H new ATOM 284 N LYS A 22 11.527 3.083 -6.793 1.00 0.00 N ATOM 285 CA LYS A 22 12.539 3.174 -7.832 1.00 0.00 C ATOM 286 C LYS A 22 13.265 1.833 -7.950 1.00 0.00 C ATOM 287 O LYS A 22 12.808 0.935 -8.656 1.00 0.00 O ATOM 288 CB LYS A 22 13.472 4.357 -7.568 1.00 0.00 C ATOM 289 CG LYS A 22 12.873 5.659 -8.106 1.00 0.00 C ATOM 290 CD LYS A 22 13.782 6.850 -7.797 1.00 0.00 C ATOM 291 CE LYS A 22 13.323 7.575 -6.530 1.00 0.00 C ATOM 292 NZ LYS A 22 14.309 8.605 -6.136 1.00 0.00 N ATOM 0 H LYS A 22 10.569 3.214 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 22 12.076 3.372 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.652 4.451 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.438 4.175 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.727 5.578 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.891 5.822 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.809 6.506 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.778 7.543 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.352 8.040 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.195 6.857 -5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.982 9.087 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.228 8.154 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.411 9.299 -6.904 1.00 0.00 H new ATOM 306 N ASN A 23 14.385 1.738 -7.248 1.00 0.00 N ATOM 307 CA ASN A 23 15.179 0.522 -7.265 1.00 0.00 C ATOM 308 C ASN A 23 15.230 -0.069 -5.854 1.00 0.00 C ATOM 309 O ASN A 23 15.792 -1.143 -5.647 1.00 0.00 O ATOM 310 CB ASN A 23 16.614 0.807 -7.710 1.00 0.00 C ATOM 311 CG ASN A 23 17.519 -0.400 -7.452 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.236 -0.472 -6.468 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.445 -1.341 -8.389 1.00 0.00 N ATOM 0 H ASN A 23 14.761 2.484 -6.663 1.00 0.00 H new ATOM 0 HA ASN A 23 14.716 -0.173 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.627 1.055 -8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.999 1.675 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.010 -2.186 -8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.823 -1.217 -9.188 1.00 0.00 H new ATOM 320 N GLU A 24 14.636 0.660 -4.920 1.00 0.00 N ATOM 321 CA GLU A 24 14.607 0.222 -3.535 1.00 0.00 C ATOM 322 C GLU A 24 13.364 -0.631 -3.274 1.00 0.00 C ATOM 323 O GLU A 24 12.307 -0.389 -3.856 1.00 0.00 O ATOM 324 CB GLU A 24 14.662 1.416 -2.581 1.00 0.00 C ATOM 325 CG GLU A 24 16.085 1.970 -2.478 1.00 0.00 C ATOM 326 CD GLU A 24 16.176 3.051 -1.399 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.312 3.954 -1.426 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.107 2.949 -0.571 1.00 0.00 O ATOM 0 H GLU A 24 14.171 1.551 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 24 15.490 -0.390 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.988 2.198 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.313 1.114 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.778 1.161 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.388 2.384 -3.439 1.00 0.00 H new ATOM 335 N ILE A 25 13.531 -1.611 -2.399 1.00 0.00 N ATOM 336 CA ILE A 25 12.435 -2.501 -2.054 1.00 0.00 C ATOM 337 C ILE A 25 12.225 -2.481 -0.538 1.00 0.00 C ATOM 338 O ILE A 25 13.177 -2.636 0.226 1.00 0.00 O ATOM 339 CB ILE A 25 12.682 -3.900 -2.621 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.605 -3.893 -4.150 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.723 -4.920 -2.003 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.449 -5.021 -4.747 1.00 0.00 C ATOM 0 H ILE A 25 14.409 -1.809 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 25 11.507 -2.156 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 25 13.693 -4.205 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.568 -4.004 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.953 -2.933 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.920 -5.906 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.870 -4.950 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.695 -4.631 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.377 -4.993 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.490 -4.893 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.083 -5.981 -4.383 1.00 0.00 H new ATOM 354 N GLN A 26 10.974 -2.288 -0.149 1.00 0.00 N ATOM 355 CA GLN A 26 10.627 -2.246 1.262 1.00 0.00 C ATOM 356 C GLN A 26 9.439 -3.168 1.544 1.00 0.00 C ATOM 357 O GLN A 26 8.715 -3.552 0.627 1.00 0.00 O ATOM 358 CB GLN A 26 10.328 -0.814 1.710 1.00 0.00 C ATOM 359 CG GLN A 26 10.977 -0.516 3.063 1.00 0.00 C ATOM 360 CD GLN A 26 12.501 -0.465 2.940 1.00 0.00 C ATOM 361 OE1 GLN A 26 13.104 -1.109 2.098 1.00 0.00 O ATOM 362 NE2 GLN A 26 13.088 0.335 3.826 1.00 0.00 N ATOM 0 H GLN A 26 10.188 -2.159 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 26 11.482 -2.601 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.697 -0.111 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.250 -0.669 1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.607 0.435 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.692 -1.282 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.523 0.846 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.103 0.437 3.827 1.00 0.00 H new ATOM 371 N SER A 27 9.277 -3.497 2.817 1.00 0.00 N ATOM 372 CA SER A 27 8.189 -4.367 3.232 1.00 0.00 C ATOM 373 C SER A 27 7.627 -3.897 4.575 1.00 0.00 C ATOM 374 O SER A 27 8.383 -3.595 5.497 1.00 0.00 O ATOM 375 CB SER A 27 8.654 -5.821 3.331 1.00 0.00 C ATOM 376 OG SER A 27 7.783 -6.607 4.140 1.00 0.00 O ATOM 0 H SER A 27 9.880 -3.177 3.575 1.00 0.00 H new ATOM 0 HA SER A 27 7.403 -4.316 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.708 -6.253 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.661 -5.852 3.747 1.00 0.00 H new ATOM 0 HG SER A 27 8.114 -7.529 4.177 1.00 0.00 H new ATOM 382 N PHE A 28 6.304 -3.851 4.643 1.00 0.00 N ATOM 383 CA PHE A 28 5.632 -3.424 5.858 1.00 0.00 C ATOM 384 C PHE A 28 4.465 -4.354 6.195 1.00 0.00 C ATOM 385 O PHE A 28 3.515 -4.470 5.422 1.00 0.00 O ATOM 386 CB PHE A 28 5.089 -2.017 5.597 1.00 0.00 C ATOM 387 CG PHE A 28 6.151 -1.014 5.144 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.894 -0.347 6.068 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.353 -0.789 3.818 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.880 0.584 5.647 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.339 0.142 3.398 1.00 0.00 C ATOM 392 CZ PHE A 28 8.082 0.809 4.321 1.00 0.00 C ATOM 0 H PHE A 28 5.680 -4.102 3.876 1.00 0.00 H new ATOM 0 HA PHE A 28 6.329 -3.443 6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.311 -2.075 4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.618 -1.646 6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.734 -0.525 7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.763 -1.319 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.470 1.114 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.499 0.321 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.832 1.517 4.001 1.00 0.00 H new ATOM 402 N LEU A 29 4.573 -4.993 7.351 1.00 0.00 N ATOM 403 CA LEU A 29 3.539 -5.909 7.800 1.00 0.00 C ATOM 404 C LEU A 29 2.385 -5.110 8.409 1.00 0.00 C ATOM 405 O LEU A 29 2.609 -4.193 9.199 1.00 0.00 O ATOM 406 CB LEU A 29 4.127 -6.958 8.746 1.00 0.00 C ATOM 407 CG LEU A 29 3.285 -8.219 8.955 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.446 -9.187 7.781 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.614 -8.882 10.294 1.00 0.00 C ATOM 0 H LEU A 29 5.362 -4.894 7.990 1.00 0.00 H new ATOM 0 HA LEU A 29 3.131 -6.466 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.104 -7.256 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.293 -6.491 9.717 1.00 0.00 H new ATOM 0 HG LEU A 29 2.235 -7.927 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.837 -10.074 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.123 -8.700 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.493 -9.477 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.002 -9.775 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.668 -9.159 10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.407 -8.185 11.106 1.00 0.00 H new ATOM 421 N VAL A 30 1.176 -5.486 8.019 1.00 0.00 N ATOM 422 CA VAL A 30 -0.013 -4.816 8.517 1.00 0.00 C ATOM 423 C VAL A 30 -0.925 -5.841 9.194 1.00 0.00 C ATOM 424 O VAL A 30 -1.749 -6.474 8.536 1.00 0.00 O ATOM 425 CB VAL A 30 -0.703 -4.061 7.379 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.530 -2.892 7.918 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.315 -3.580 6.343 1.00 0.00 C ATOM 0 H VAL A 30 0.994 -6.246 7.364 1.00 0.00 H new ATOM 0 HA VAL A 30 0.254 -4.072 9.268 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.384 -4.753 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.010 -2.373 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.293 -3.269 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.878 -2.200 8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.202 -3.047 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.032 -2.912 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.841 -4.438 5.924 1.00 0.00 H new ATOM 437 N SER A 31 -0.748 -5.971 10.500 1.00 0.00 N ATOM 438 CA SER A 31 -1.544 -6.909 11.274 1.00 0.00 C ATOM 439 C SER A 31 -2.986 -6.408 11.379 1.00 0.00 C ATOM 440 O SER A 31 -3.855 -7.109 11.895 1.00 0.00 O ATOM 441 CB SER A 31 -0.952 -7.115 12.669 1.00 0.00 C ATOM 442 OG SER A 31 -1.450 -6.165 13.607 1.00 0.00 O ATOM 0 H SER A 31 -0.065 -5.442 11.042 1.00 0.00 H new ATOM 0 HA SER A 31 -1.535 -7.870 10.760 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.184 -8.122 13.016 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.134 -7.038 12.617 1.00 0.00 H new ATOM 0 HG SER A 31 -1.049 -6.332 14.486 1.00 0.00 H new ATOM 448 N ASP A 32 -3.196 -5.198 10.880 1.00 0.00 N ATOM 449 CA ASP A 32 -4.518 -4.595 10.912 1.00 0.00 C ATOM 450 C ASP A 32 -4.724 -3.763 9.644 1.00 0.00 C ATOM 451 O ASP A 32 -4.735 -2.534 9.699 1.00 0.00 O ATOM 452 CB ASP A 32 -4.671 -3.666 12.117 1.00 0.00 C ATOM 453 CG ASP A 32 -4.629 -4.361 13.479 1.00 0.00 C ATOM 454 OD1 ASP A 32 -3.500 -4.581 13.970 1.00 0.00 O ATOM 455 OD2 ASP A 32 -5.726 -4.658 13.999 1.00 0.00 O ATOM 0 H ASP A 32 -2.473 -4.620 10.452 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.253 -5.397 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.879 -2.918 12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.617 -3.132 12.027 1.00 0.00 H new ATOM 460 N PRO A 33 -4.886 -4.484 8.503 1.00 0.00 N ATOM 461 CA PRO A 33 -5.092 -3.826 7.224 1.00 0.00 C ATOM 462 C PRO A 33 -6.513 -3.269 7.116 1.00 0.00 C ATOM 463 O PRO A 33 -6.794 -2.440 6.252 1.00 0.00 O ATOM 464 CB PRO A 33 -4.789 -4.889 6.181 1.00 0.00 C ATOM 465 CG PRO A 33 -4.879 -6.222 6.906 1.00 0.00 C ATOM 466 CD PRO A 33 -4.879 -5.940 8.400 1.00 0.00 C ATOM 0 HA PRO A 33 -4.446 -2.959 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.502 -4.843 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.798 -4.744 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.786 -6.753 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.037 -6.860 6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.753 -6.375 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.000 -6.367 8.883 1.00 0.00 H new ATOM 474 N GLU A 34 -7.371 -3.748 8.004 1.00 0.00 N ATOM 475 CA GLU A 34 -8.756 -3.309 8.019 1.00 0.00 C ATOM 476 C GLU A 34 -8.952 -2.206 9.061 1.00 0.00 C ATOM 477 O GLU A 34 -9.820 -1.348 8.907 1.00 0.00 O ATOM 478 CB GLU A 34 -9.701 -4.484 8.281 1.00 0.00 C ATOM 479 CG GLU A 34 -9.517 -5.580 7.229 1.00 0.00 C ATOM 480 CD GLU A 34 -9.633 -6.969 7.859 1.00 0.00 C ATOM 481 OE1 GLU A 34 -10.787 -7.394 8.088 1.00 0.00 O ATOM 482 OE2 GLU A 34 -8.567 -7.576 8.096 1.00 0.00 O ATOM 0 H GLU A 34 -7.134 -4.436 8.719 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.998 -2.902 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.513 -4.893 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.733 -4.134 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.268 -5.468 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.542 -5.473 6.753 1.00 0.00 H new ATOM 489 N ASN A 35 -8.131 -2.264 10.100 1.00 0.00 N ATOM 490 CA ASN A 35 -8.203 -1.281 11.167 1.00 0.00 C ATOM 491 C ASN A 35 -7.408 -0.037 10.763 1.00 0.00 C ATOM 492 O ASN A 35 -7.957 1.062 10.703 1.00 0.00 O ATOM 493 CB ASN A 35 -7.599 -1.828 12.462 1.00 0.00 C ATOM 494 CG ASN A 35 -8.423 -1.397 13.676 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.128 -0.419 14.344 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.470 -2.178 13.924 1.00 0.00 N ATOM 0 H ASN A 35 -7.412 -2.977 10.225 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.253 -1.040 11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.555 -2.916 12.416 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.574 -1.472 12.568 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.083 -1.974 14.713 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.660 -2.981 13.325 1.00 0.00 H new ATOM 503 N THR A 36 -6.128 -0.253 10.496 1.00 0.00 N ATOM 504 CA THR A 36 -5.253 0.837 10.100 1.00 0.00 C ATOM 505 C THR A 36 -5.891 1.651 8.972 1.00 0.00 C ATOM 506 O THR A 36 -6.911 1.250 8.413 1.00 0.00 O ATOM 507 CB THR A 36 -3.895 0.240 9.725 1.00 0.00 C ATOM 508 OG1 THR A 36 -2.966 1.282 10.013 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.749 0.017 8.218 1.00 0.00 C ATOM 0 H THR A 36 -5.676 -1.166 10.546 1.00 0.00 H new ATOM 0 HA THR A 36 -5.101 1.540 10.919 1.00 0.00 H new ATOM 0 HB THR A 36 -3.759 -0.707 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.059 0.979 9.800 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.768 -0.408 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.523 -0.669 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.852 0.969 7.698 1.00 0.00 H new ATOM 517 N THR A 37 -5.265 2.779 8.672 1.00 0.00 N ATOM 518 CA THR A 37 -5.759 3.652 7.621 1.00 0.00 C ATOM 519 C THR A 37 -4.688 3.853 6.547 1.00 0.00 C ATOM 520 O THR A 37 -3.502 3.955 6.859 1.00 0.00 O ATOM 521 CB THR A 37 -6.220 4.959 8.271 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.226 5.227 9.255 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.508 4.788 9.079 1.00 0.00 C ATOM 0 H THR A 37 -4.420 3.109 9.138 1.00 0.00 H new ATOM 0 HA THR A 37 -6.611 3.209 7.106 1.00 0.00 H new ATOM 0 HB THR A 37 -6.373 5.714 7.500 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.446 6.059 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.791 5.744 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.306 4.440 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.346 4.058 9.872 1.00 0.00 H new ATOM 531 N TRP A 38 -5.144 3.904 5.304 1.00 0.00 N ATOM 532 CA TRP A 38 -4.240 4.090 4.182 1.00 0.00 C ATOM 533 C TRP A 38 -3.340 5.287 4.494 1.00 0.00 C ATOM 534 O TRP A 38 -2.181 5.320 4.084 1.00 0.00 O ATOM 535 CB TRP A 38 -5.017 4.251 2.874 1.00 0.00 C ATOM 536 CG TRP A 38 -4.177 4.792 1.714 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.344 5.938 1.039 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.026 4.159 1.118 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.388 6.088 0.056 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.561 4.972 0.105 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.398 2.939 1.425 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.449 4.654 -0.684 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.288 2.636 0.627 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.807 3.444 -0.397 1.00 0.00 C ATOM 0 H TRP A 38 -6.128 3.820 5.049 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.612 3.210 4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.432 3.284 2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.859 4.922 3.044 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.128 6.653 1.239 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.303 6.874 -0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.744 2.287 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.105 5.308 -1.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.769 1.709 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.058 3.140 -0.968 1.00 0.00 H new ATOM 555 N ALA A 39 -3.907 6.241 5.218 1.00 0.00 N ATOM 556 CA ALA A 39 -3.170 7.436 5.590 1.00 0.00 C ATOM 557 C ALA A 39 -1.932 7.037 6.396 1.00 0.00 C ATOM 558 O ALA A 39 -0.878 7.658 6.269 1.00 0.00 O ATOM 559 CB ALA A 39 -4.089 8.383 6.364 1.00 0.00 C ATOM 0 H ALA A 39 -4.869 6.210 5.557 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.828 7.967 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.536 9.280 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.937 8.660 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.450 7.885 7.264 1.00 0.00 H new ATOM 565 N ASP A 40 -2.102 6.003 7.207 1.00 0.00 N ATOM 566 CA ASP A 40 -1.012 5.514 8.034 1.00 0.00 C ATOM 567 C ASP A 40 0.028 4.828 7.145 1.00 0.00 C ATOM 568 O ASP A 40 1.230 4.993 7.349 1.00 0.00 O ATOM 569 CB ASP A 40 -1.511 4.490 9.055 1.00 0.00 C ATOM 570 CG ASP A 40 -1.417 4.934 10.516 1.00 0.00 C ATOM 571 OD1 ASP A 40 -0.271 5.094 10.987 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.494 5.103 11.128 1.00 0.00 O ATOM 0 H ASP A 40 -2.978 5.491 7.309 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.579 6.365 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.551 4.252 8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.939 3.570 8.933 1.00 0.00 H new ATOM 577 N ILE A 41 -0.473 4.073 6.178 1.00 0.00 N ATOM 578 CA ILE A 41 0.398 3.361 5.258 1.00 0.00 C ATOM 579 C ILE A 41 1.123 4.370 4.365 1.00 0.00 C ATOM 580 O ILE A 41 2.349 4.350 4.269 1.00 0.00 O ATOM 581 CB ILE A 41 -0.393 2.307 4.480 1.00 0.00 C ATOM 582 CG1 ILE A 41 -0.719 1.102 5.364 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.347 1.899 3.204 1.00 0.00 C ATOM 584 CD1 ILE A 41 -2.023 1.323 6.133 1.00 0.00 C ATOM 0 H ILE A 41 -1.470 3.939 6.012 1.00 0.00 H new ATOM 0 HA ILE A 41 1.164 2.812 5.805 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.342 2.748 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.803 0.207 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.097 0.930 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.236 1.149 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.484 2.773 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.320 1.484 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.232 0.452 6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.927 2.205 6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.841 1.470 5.428 1.00 0.00 H new ATOM 596 N GLU A 42 0.334 5.228 3.734 1.00 0.00 N ATOM 597 CA GLU A 42 0.886 6.242 2.853 1.00 0.00 C ATOM 598 C GLU A 42 1.945 7.066 3.588 1.00 0.00 C ATOM 599 O GLU A 42 3.050 7.257 3.082 1.00 0.00 O ATOM 600 CB GLU A 42 -0.218 7.142 2.294 1.00 0.00 C ATOM 601 CG GLU A 42 0.330 8.076 1.213 1.00 0.00 C ATOM 602 CD GLU A 42 -0.782 8.947 0.625 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.153 9.929 1.304 1.00 0.00 O ATOM 604 OE2 GLU A 42 -1.236 8.610 -0.490 1.00 0.00 O ATOM 0 H GLU A 42 -0.683 5.241 3.816 1.00 0.00 H new ATOM 0 HA GLU A 42 1.364 5.742 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.017 6.528 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.655 7.731 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.108 8.711 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.794 7.488 0.421 1.00 0.00 H new ATOM 611 N ALA A 43 1.570 7.531 4.771 1.00 0.00 N ATOM 612 CA ALA A 43 2.474 8.330 5.581 1.00 0.00 C ATOM 613 C ALA A 43 3.613 7.445 6.091 1.00 0.00 C ATOM 614 O ALA A 43 4.754 7.891 6.191 1.00 0.00 O ATOM 615 CB ALA A 43 1.692 8.989 6.720 1.00 0.00 C ATOM 0 H ALA A 43 0.653 7.370 5.188 1.00 0.00 H new ATOM 0 HA ALA A 43 2.918 9.128 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.370 9.588 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.915 9.630 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.234 8.219 7.340 1.00 0.00 H new ATOM 621 N MET A 44 3.262 6.205 6.401 1.00 0.00 N ATOM 622 CA MET A 44 4.240 5.253 6.898 1.00 0.00 C ATOM 623 C MET A 44 5.396 5.087 5.910 1.00 0.00 C ATOM 624 O MET A 44 6.557 5.276 6.270 1.00 0.00 O ATOM 625 CB MET A 44 3.565 3.899 7.126 1.00 0.00 C ATOM 626 CG MET A 44 4.596 2.769 7.150 1.00 0.00 C ATOM 627 SD MET A 44 3.912 1.335 7.964 1.00 0.00 S ATOM 628 CE MET A 44 2.829 0.735 6.678 1.00 0.00 C ATOM 0 H MET A 44 2.314 5.838 6.317 1.00 0.00 H new ATOM 0 HA MET A 44 4.642 5.632 7.838 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.017 3.916 8.068 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.836 3.714 6.337 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.891 2.513 6.132 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.496 3.098 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.792 0.889 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.026 1.278 5.754 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.007 -0.329 6.519 1.00 0.00 H new ATOM 638 N VAL A 45 5.038 4.736 4.684 1.00 0.00 N ATOM 639 CA VAL A 45 6.031 4.543 3.641 1.00 0.00 C ATOM 640 C VAL A 45 6.792 5.851 3.419 1.00 0.00 C ATOM 641 O VAL A 45 8.005 5.841 3.213 1.00 0.00 O ATOM 642 CB VAL A 45 5.360 4.019 2.369 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.358 3.948 1.212 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.708 2.657 2.615 1.00 0.00 C ATOM 0 H VAL A 45 4.074 4.580 4.389 1.00 0.00 H new ATOM 0 HA VAL A 45 6.759 3.790 3.942 1.00 0.00 H new ATOM 0 HB VAL A 45 4.574 4.721 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.855 3.573 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.755 4.943 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.175 3.277 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.238 2.307 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.468 1.941 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.953 2.751 3.395 1.00 0.00 H new ATOM 654 N LYS A 46 6.049 6.947 3.468 1.00 0.00 N ATOM 655 CA LYS A 46 6.639 8.261 3.275 1.00 0.00 C ATOM 656 C LYS A 46 7.817 8.432 4.236 1.00 0.00 C ATOM 657 O LYS A 46 8.953 8.622 3.804 1.00 0.00 O ATOM 658 CB LYS A 46 5.574 9.351 3.408 1.00 0.00 C ATOM 659 CG LYS A 46 5.229 9.949 2.043 1.00 0.00 C ATOM 660 CD LYS A 46 3.720 10.161 1.902 1.00 0.00 C ATOM 661 CE LYS A 46 3.167 10.965 3.080 1.00 0.00 C ATOM 662 NZ LYS A 46 1.710 10.743 3.221 1.00 0.00 N ATOM 0 H LYS A 46 5.043 6.952 3.639 1.00 0.00 H new ATOM 0 HA LYS A 46 7.035 8.356 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.676 8.934 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.933 10.136 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.747 10.900 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.582 9.287 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.508 10.683 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.217 9.196 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.676 10.672 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.366 12.026 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.339 11.347 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.235 10.980 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.532 9.745 3.454 1.00 0.00 H new ATOM 676 N VAL A 47 7.507 8.358 5.522 1.00 0.00 N ATOM 677 CA VAL A 47 8.526 8.503 6.548 1.00 0.00 C ATOM 678 C VAL A 47 9.553 7.379 6.402 1.00 0.00 C ATOM 679 O VAL A 47 10.758 7.626 6.435 1.00 0.00 O ATOM 680 CB VAL A 47 7.874 8.542 7.931 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.938 9.745 8.063 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.132 7.236 8.224 1.00 0.00 C ATOM 0 H VAL A 47 6.564 8.199 5.877 1.00 0.00 H new ATOM 0 HA VAL A 47 9.058 9.447 6.428 1.00 0.00 H new ATOM 0 HB VAL A 47 8.666 8.651 8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.488 9.749 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.505 10.665 7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.153 9.680 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.678 7.290 9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.355 7.083 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.835 6.403 8.192 1.00 0.00 H new ATOM 692 N SER A 48 9.039 6.168 6.244 1.00 0.00 N ATOM 693 CA SER A 48 9.897 5.005 6.093 1.00 0.00 C ATOM 694 C SER A 48 11.059 5.330 5.152 1.00 0.00 C ATOM 695 O SER A 48 12.201 4.962 5.421 1.00 0.00 O ATOM 696 CB SER A 48 9.109 3.803 5.568 1.00 0.00 C ATOM 697 OG SER A 48 9.884 2.608 5.585 1.00 0.00 O ATOM 0 H SER A 48 8.039 5.967 6.217 1.00 0.00 H new ATOM 0 HA SER A 48 10.294 4.744 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.214 3.663 6.174 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.776 4.005 4.550 1.00 0.00 H new ATOM 0 HG SER A 48 9.311 1.843 5.369 1.00 0.00 H new ATOM 703 N PHE A 49 10.726 6.015 4.068 1.00 0.00 N ATOM 704 CA PHE A 49 11.728 6.394 3.086 1.00 0.00 C ATOM 705 C PHE A 49 12.210 7.827 3.319 1.00 0.00 C ATOM 706 O PHE A 49 13.266 8.219 2.826 1.00 0.00 O ATOM 707 CB PHE A 49 11.060 6.311 1.712 1.00 0.00 C ATOM 708 CG PHE A 49 11.031 4.900 1.119 1.00 0.00 C ATOM 709 CD1 PHE A 49 9.985 4.073 1.385 1.00 0.00 C ATOM 710 CD2 PHE A 49 12.051 4.474 0.327 1.00 0.00 C ATOM 711 CE1 PHE A 49 9.958 2.764 0.835 1.00 0.00 C ATOM 712 CE2 PHE A 49 12.024 3.165 -0.223 1.00 0.00 C ATOM 713 CZ PHE A 49 10.978 2.338 0.042 1.00 0.00 C ATOM 0 H PHE A 49 9.777 6.317 3.848 1.00 0.00 H new ATOM 0 HA PHE A 49 12.591 5.732 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.038 6.681 1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.585 6.973 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.175 4.411 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.882 5.131 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.128 2.107 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.834 2.827 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.957 1.343 -0.377 1.00 0.00 H new ATOM 723 N ASP A 50 11.412 8.571 4.072 1.00 0.00 N ATOM 724 CA ASP A 50 11.745 9.952 4.377 1.00 0.00 C ATOM 725 C ASP A 50 11.300 10.847 3.218 1.00 0.00 C ATOM 726 O ASP A 50 12.009 11.779 2.841 1.00 0.00 O ATOM 727 CB ASP A 50 13.254 10.129 4.558 1.00 0.00 C ATOM 728 CG ASP A 50 13.662 11.201 5.570 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.501 10.930 6.780 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.127 12.267 5.112 1.00 0.00 O ATOM 0 H ASP A 50 10.536 8.243 4.479 1.00 0.00 H new ATOM 0 HA ASP A 50 11.237 10.224 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.682 9.176 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.694 10.376 3.592 1.00 0.00 H new ATOM 735 N LEU A 51 10.128 10.532 2.685 1.00 0.00 N ATOM 736 CA LEU A 51 9.581 11.296 1.577 1.00 0.00 C ATOM 737 C LEU A 51 8.412 12.146 2.078 1.00 0.00 C ATOM 738 O LEU A 51 7.638 11.706 2.926 1.00 0.00 O ATOM 739 CB LEU A 51 9.214 10.368 0.417 1.00 0.00 C ATOM 740 CG LEU A 51 10.288 9.363 -0.004 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.686 8.240 -0.852 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.444 10.064 -0.720 1.00 0.00 C ATOM 0 H LEU A 51 9.543 9.758 3.000 1.00 0.00 H new ATOM 0 HA LEU A 51 10.329 11.983 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.315 9.816 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.961 10.982 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 51 10.697 8.904 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.471 7.539 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.925 7.716 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.234 8.664 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.194 9.327 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.068 10.568 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.895 10.797 -0.051 1.00 0.00 H new ATOM 754 N ASN A 52 8.321 13.350 1.531 1.00 0.00 N ATOM 755 CA ASN A 52 7.259 14.266 1.912 1.00 0.00 C ATOM 756 C ASN A 52 5.942 13.802 1.287 1.00 0.00 C ATOM 757 O ASN A 52 4.992 13.480 1.999 1.00 0.00 O ATOM 758 CB ASN A 52 7.548 15.682 1.410 1.00 0.00 C ATOM 759 CG ASN A 52 8.098 16.562 2.535 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.364 16.110 3.637 1.00 0.00 O ATOM 761 ND2 ASN A 52 8.254 17.838 2.196 1.00 0.00 N ATOM 0 H ASN A 52 8.965 13.712 0.828 1.00 0.00 H new ATOM 0 HA ASN A 52 7.195 14.275 3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.266 15.642 0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.635 16.124 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.616 18.506 2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.011 18.149 1.255 1.00 0.00 H new ATOM 768 N THR A 53 5.928 13.782 -0.038 1.00 0.00 N ATOM 769 CA THR A 53 4.743 13.363 -0.767 1.00 0.00 C ATOM 770 C THR A 53 5.096 12.267 -1.774 1.00 0.00 C ATOM 771 O THR A 53 6.055 12.402 -2.532 1.00 0.00 O ATOM 772 CB THR A 53 4.120 14.603 -1.411 1.00 0.00 C ATOM 773 OG1 THR A 53 5.241 15.369 -1.844 1.00 0.00 O ATOM 774 CG2 THR A 53 3.424 15.506 -0.391 1.00 0.00 C ATOM 0 H THR A 53 6.718 14.049 -0.625 1.00 0.00 H new ATOM 0 HA THR A 53 4.004 12.921 -0.099 1.00 0.00 H new ATOM 0 HB THR A 53 3.403 14.295 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.928 16.191 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.999 16.371 -0.901 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.628 14.950 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.148 15.842 0.351 1.00 0.00 H new ATOM 782 N ILE A 54 4.302 11.207 -1.750 1.00 0.00 N ATOM 783 CA ILE A 54 4.519 10.089 -2.652 1.00 0.00 C ATOM 784 C ILE A 54 3.178 9.645 -3.240 1.00 0.00 C ATOM 785 O ILE A 54 2.126 10.141 -2.838 1.00 0.00 O ATOM 786 CB ILE A 54 5.280 8.967 -1.941 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.433 8.352 -0.825 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.633 9.463 -1.427 1.00 0.00 C ATOM 789 CD1 ILE A 54 5.229 7.301 -0.049 1.00 0.00 C ATOM 0 H ILE A 54 3.507 11.099 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 54 5.150 10.391 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 54 5.480 8.177 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.097 9.135 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.540 7.895 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.153 8.647 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.234 9.816 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.477 10.280 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.604 6.879 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.542 6.508 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.109 7.766 0.396 1.00 0.00 H new ATOM 801 N GLN A 55 3.259 8.717 -4.182 1.00 0.00 N ATOM 802 CA GLN A 55 2.065 8.202 -4.829 1.00 0.00 C ATOM 803 C GLN A 55 2.168 6.685 -5.004 1.00 0.00 C ATOM 804 O GLN A 55 2.231 6.189 -6.127 1.00 0.00 O ATOM 805 CB GLN A 55 1.827 8.893 -6.173 1.00 0.00 C ATOM 806 CG GLN A 55 0.369 8.751 -6.613 1.00 0.00 C ATOM 807 CD GLN A 55 -0.077 7.288 -6.568 1.00 0.00 C ATOM 808 OE1 GLN A 55 0.036 6.548 -7.531 1.00 0.00 O ATOM 809 NE2 GLN A 55 -0.590 6.915 -5.399 1.00 0.00 N ATOM 0 H GLN A 55 4.133 8.309 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 55 1.209 8.418 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.085 9.949 -6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.482 8.461 -6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.270 9.350 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.251 9.140 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.655 7.586 -4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.918 5.958 -5.268 1.00 0.00 H new ATOM 818 N ILE A 56 2.182 5.991 -3.875 1.00 0.00 N ATOM 819 CA ILE A 56 2.276 4.542 -3.889 1.00 0.00 C ATOM 820 C ILE A 56 1.370 3.986 -4.990 1.00 0.00 C ATOM 821 O ILE A 56 0.386 4.620 -5.367 1.00 0.00 O ATOM 822 CB ILE A 56 1.977 3.972 -2.501 1.00 0.00 C ATOM 823 CG1 ILE A 56 3.071 4.356 -1.503 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.765 2.458 -2.564 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.515 4.426 -0.079 1.00 0.00 C ATOM 0 H ILE A 56 2.130 6.406 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 56 3.293 4.229 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 56 1.046 4.413 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.880 3.626 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.497 5.321 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.554 2.078 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.925 2.235 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.665 1.980 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.313 4.701 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.723 5.174 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.112 3.453 0.202 1.00 0.00 H new ATOM 837 N LYS A 57 1.735 2.808 -5.474 1.00 0.00 N ATOM 838 CA LYS A 57 0.968 2.161 -6.524 1.00 0.00 C ATOM 839 C LYS A 57 1.144 0.645 -6.418 1.00 0.00 C ATOM 840 O LYS A 57 2.265 0.142 -6.469 1.00 0.00 O ATOM 841 CB LYS A 57 1.347 2.729 -7.893 1.00 0.00 C ATOM 842 CG LYS A 57 0.726 4.112 -8.104 1.00 0.00 C ATOM 843 CD LYS A 57 0.306 4.308 -9.562 1.00 0.00 C ATOM 844 CE LYS A 57 0.423 5.777 -9.973 1.00 0.00 C ATOM 845 NZ LYS A 57 0.720 5.889 -11.419 1.00 0.00 N ATOM 0 H LYS A 57 2.552 2.285 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.095 2.369 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.432 2.797 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.010 2.052 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.141 4.228 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.443 4.883 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.932 3.694 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.721 3.969 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.506 6.300 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.211 6.261 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.796 6.893 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.618 5.408 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.045 5.446 -11.966 1.00 0.00 H new ATOM 859 N TYR A 58 0.020 -0.041 -6.272 1.00 0.00 N ATOM 860 CA TYR A 58 0.036 -1.489 -6.158 1.00 0.00 C ATOM 861 C TYR A 58 -0.550 -2.145 -7.410 1.00 0.00 C ATOM 862 O TYR A 58 -1.495 -1.626 -8.002 1.00 0.00 O ATOM 863 CB TYR A 58 -0.850 -1.828 -4.957 1.00 0.00 C ATOM 864 CG TYR A 58 -2.341 -1.915 -5.290 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.842 -3.033 -5.925 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.185 -0.876 -4.954 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.246 -3.115 -6.237 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.588 -0.958 -5.267 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.049 -2.073 -5.893 1.00 0.00 C ATOM 870 OH TYR A 58 -6.374 -2.151 -6.189 1.00 0.00 O ATOM 0 H TYR A 58 -0.908 0.380 -6.230 1.00 0.00 H new ATOM 0 HA TYR A 58 1.057 -1.853 -6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.526 -2.780 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.704 -1.072 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.182 -3.846 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.793 -0.001 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.652 -3.984 -6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.259 -0.152 -5.010 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.489 -2.579 -7.063 1.00 0.00 H new ATOM 880 N LEU A 59 0.036 -3.275 -7.777 1.00 0.00 N ATOM 881 CA LEU A 59 -0.416 -4.007 -8.948 1.00 0.00 C ATOM 882 C LEU A 59 -1.645 -4.840 -8.580 1.00 0.00 C ATOM 883 O LEU A 59 -1.607 -5.624 -7.633 1.00 0.00 O ATOM 884 CB LEU A 59 0.730 -4.829 -9.541 1.00 0.00 C ATOM 885 CG LEU A 59 1.638 -4.096 -10.531 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.586 -5.072 -11.231 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.815 -3.281 -11.531 1.00 0.00 C ATOM 0 H LEU A 59 0.820 -3.702 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.722 -3.317 -9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.345 -5.202 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.306 -5.699 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 59 2.254 -3.392 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.220 -4.526 -11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.209 -5.570 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.005 -5.817 -11.775 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.485 -2.770 -12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.156 -3.947 -12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.217 -2.544 -10.995 1.00 0.00 H new ATOM 899 N ASP A 60 -2.706 -4.644 -9.349 1.00 0.00 N ATOM 900 CA ASP A 60 -3.943 -5.368 -9.116 1.00 0.00 C ATOM 901 C ASP A 60 -3.830 -6.770 -9.717 1.00 0.00 C ATOM 902 O ASP A 60 -2.728 -7.291 -9.883 1.00 0.00 O ATOM 903 CB ASP A 60 -5.127 -4.663 -9.781 1.00 0.00 C ATOM 904 CG ASP A 60 -6.376 -4.532 -8.907 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.873 -5.591 -8.465 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.806 -3.377 -8.701 1.00 0.00 O ATOM 0 H ASP A 60 -2.734 -3.994 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.109 -5.415 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.811 -3.666 -10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.392 -5.207 -10.688 1.00 0.00 H new ATOM 911 N GLU A 61 -4.984 -7.342 -10.026 1.00 0.00 N ATOM 912 CA GLU A 61 -5.028 -8.674 -10.604 1.00 0.00 C ATOM 913 C GLU A 61 -4.874 -8.598 -12.125 1.00 0.00 C ATOM 914 O GLU A 61 -5.126 -9.576 -12.828 1.00 0.00 O ATOM 915 CB GLU A 61 -6.321 -9.397 -10.220 1.00 0.00 C ATOM 916 CG GLU A 61 -6.287 -9.839 -8.756 1.00 0.00 C ATOM 917 CD GLU A 61 -6.821 -11.264 -8.601 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.889 -11.537 -9.190 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.150 -12.049 -7.896 1.00 0.00 O ATOM 0 H GLU A 61 -5.896 -6.907 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.195 -9.251 -10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.173 -8.738 -10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.461 -10.266 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.265 -9.787 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.884 -9.155 -8.152 1.00 0.00 H new ATOM 926 N GLU A 62 -4.461 -7.427 -12.588 1.00 0.00 N ATOM 927 CA GLU A 62 -4.271 -7.211 -14.012 1.00 0.00 C ATOM 928 C GLU A 62 -2.839 -6.752 -14.292 1.00 0.00 C ATOM 929 O GLU A 62 -2.474 -6.512 -15.442 1.00 0.00 O ATOM 930 CB GLU A 62 -5.286 -6.202 -14.554 1.00 0.00 C ATOM 931 CG GLU A 62 -6.702 -6.546 -14.088 1.00 0.00 C ATOM 932 CD GLU A 62 -7.568 -7.009 -15.262 1.00 0.00 C ATOM 933 OE1 GLU A 62 -8.089 -6.119 -15.968 1.00 0.00 O ATOM 934 OE2 GLU A 62 -7.688 -8.242 -15.426 1.00 0.00 O ATOM 0 H GLU A 62 -4.253 -6.618 -12.002 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.437 -8.156 -14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.022 -5.199 -14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.250 -6.193 -15.643 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.660 -7.330 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.156 -5.674 -13.618 1.00 0.00 H new ATOM 941 N ASN A 63 -2.066 -6.643 -13.221 1.00 0.00 N ATOM 942 CA ASN A 63 -0.681 -6.217 -13.337 1.00 0.00 C ATOM 943 C ASN A 63 -0.638 -4.728 -13.686 1.00 0.00 C ATOM 944 O ASN A 63 0.331 -4.253 -14.275 1.00 0.00 O ATOM 945 CB ASN A 63 0.039 -6.984 -14.448 1.00 0.00 C ATOM 946 CG ASN A 63 1.224 -7.775 -13.889 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.346 -8.000 -12.697 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.087 -8.183 -14.815 1.00 0.00 N ATOM 0 H ASN A 63 -2.372 -6.842 -12.269 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.187 -6.412 -12.385 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.659 -7.664 -14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.389 -6.286 -15.209 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.911 -8.719 -14.543 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.925 -7.960 -15.797 1.00 0.00 H new ATOM 955 N GLU A 64 -1.701 -4.033 -13.306 1.00 0.00 N ATOM 956 CA GLU A 64 -1.796 -2.608 -13.571 1.00 0.00 C ATOM 957 C GLU A 64 -1.620 -1.814 -12.275 1.00 0.00 C ATOM 958 O GLU A 64 -2.281 -2.095 -11.276 1.00 0.00 O ATOM 959 CB GLU A 64 -3.124 -2.264 -14.249 1.00 0.00 C ATOM 960 CG GLU A 64 -3.182 -2.838 -15.666 1.00 0.00 C ATOM 961 CD GLU A 64 -4.626 -2.929 -16.162 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.290 -1.870 -16.175 1.00 0.00 O ATOM 963 OE2 GLU A 64 -5.034 -4.056 -16.518 1.00 0.00 O ATOM 0 H GLU A 64 -2.503 -4.431 -12.817 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.994 -2.331 -14.255 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.951 -2.659 -13.659 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.248 -1.182 -14.286 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.601 -2.209 -16.341 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.726 -3.828 -15.680 1.00 0.00 H new ATOM 970 N GLU A 65 -0.726 -0.839 -12.333 1.00 0.00 N ATOM 971 CA GLU A 65 -0.455 -0.003 -11.176 1.00 0.00 C ATOM 972 C GLU A 65 -1.737 0.689 -10.708 1.00 0.00 C ATOM 973 O GLU A 65 -2.407 1.359 -11.493 1.00 0.00 O ATOM 974 CB GLU A 65 0.640 1.021 -11.483 1.00 0.00 C ATOM 975 CG GLU A 65 1.924 0.329 -11.946 1.00 0.00 C ATOM 976 CD GLU A 65 2.880 1.329 -12.600 1.00 0.00 C ATOM 977 OE1 GLU A 65 2.373 2.198 -13.342 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.097 1.202 -12.342 1.00 0.00 O ATOM 0 H GLU A 65 -0.180 -0.609 -13.163 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.094 -0.641 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.294 1.708 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.844 1.618 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.414 -0.144 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.680 -0.463 -12.654 1.00 0.00 H new ATOM 985 N VAL A 66 -2.040 0.503 -9.432 1.00 0.00 N ATOM 986 CA VAL A 66 -3.230 1.101 -8.851 1.00 0.00 C ATOM 987 C VAL A 66 -2.816 2.123 -7.790 1.00 0.00 C ATOM 988 O VAL A 66 -2.121 1.783 -6.833 1.00 0.00 O ATOM 989 CB VAL A 66 -4.150 0.009 -8.302 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.434 0.610 -7.728 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.466 -1.033 -9.377 1.00 0.00 C ATOM 0 H VAL A 66 -1.482 -0.053 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.799 1.635 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.624 -0.494 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.070 -0.188 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.184 1.296 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.964 1.151 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.122 -1.798 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.962 -0.549 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.540 -1.496 -9.719 1.00 0.00 H new ATOM 1001 N SER A 67 -3.261 3.354 -7.995 1.00 0.00 N ATOM 1002 CA SER A 67 -2.945 4.427 -7.068 1.00 0.00 C ATOM 1003 C SER A 67 -3.972 4.458 -5.934 1.00 0.00 C ATOM 1004 O SER A 67 -5.176 4.485 -6.182 1.00 0.00 O ATOM 1005 CB SER A 67 -2.904 5.779 -7.783 1.00 0.00 C ATOM 1006 OG SER A 67 -4.188 6.397 -7.831 1.00 0.00 O ATOM 0 H SER A 67 -3.838 3.632 -8.789 1.00 0.00 H new ATOM 0 HA SER A 67 -1.956 4.237 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.203 6.439 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.530 5.641 -8.797 1.00 0.00 H new ATOM 0 HG SER A 67 -4.119 7.258 -8.294 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.458 4.453 -4.712 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.315 4.479 -3.539 1.00 0.00 C ATOM 1014 C ILE A 68 -4.291 5.882 -2.928 1.00 0.00 C ATOM 1015 O ILE A 68 -3.230 6.388 -2.567 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.916 3.375 -2.559 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.825 2.021 -3.266 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.868 3.334 -1.362 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.359 0.929 -2.301 1.00 0.00 C ATOM 0 H ILE A 68 -2.459 4.431 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.348 4.268 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.923 3.604 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.799 1.756 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.132 2.090 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.562 2.540 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.839 4.291 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.883 3.142 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.303 -0.023 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.375 1.185 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.067 0.846 -1.477 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.475 6.470 -2.831 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.604 7.804 -2.270 1.00 0.00 C ATOM 1033 C ASN A 69 -6.438 7.736 -0.989 1.00 0.00 C ATOM 1034 O ASN A 69 -6.147 8.430 -0.017 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.312 8.746 -3.245 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.305 9.636 -3.977 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.244 10.839 -3.782 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.521 8.980 -4.827 1.00 0.00 N ATOM 0 H ASN A 69 -6.353 6.047 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.602 8.182 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.882 8.164 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.025 9.367 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.816 9.485 -5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.625 7.972 -4.942 1.00 0.00 H new ATOM 1045 N SER A 70 -7.458 6.891 -1.030 1.00 0.00 N ATOM 1046 CA SER A 70 -8.336 6.723 0.115 1.00 0.00 C ATOM 1047 C SER A 70 -8.281 5.275 0.608 1.00 0.00 C ATOM 1048 O SER A 70 -7.621 4.434 0.002 1.00 0.00 O ATOM 1049 CB SER A 70 -9.775 7.111 -0.232 1.00 0.00 C ATOM 1050 OG SER A 70 -9.841 8.361 -0.912 1.00 0.00 O ATOM 0 H SER A 70 -7.696 6.316 -1.838 1.00 0.00 H new ATOM 0 HA SER A 70 -7.992 7.385 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.219 6.335 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.367 7.164 0.682 1.00 0.00 H new ATOM 0 HG SER A 70 -10.776 8.573 -1.118 1.00 0.00 H new ATOM 1056 N GLN A 71 -8.984 5.030 1.705 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.023 3.699 2.286 1.00 0.00 C ATOM 1058 C GLN A 71 -9.630 2.705 1.295 1.00 0.00 C ATOM 1059 O GLN A 71 -9.042 1.660 1.020 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.798 3.700 3.605 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.878 2.291 4.195 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.276 2.250 5.602 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.468 3.141 6.413 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.539 1.170 5.843 1.00 0.00 N ATOM 0 H GLN A 71 -9.530 5.731 2.206 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.001 3.388 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.312 4.369 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.804 4.087 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.918 1.967 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.348 1.592 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.419 0.462 5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.093 1.049 6.752 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.799 3.064 0.784 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.491 2.216 -0.171 1.00 0.00 C ATOM 1075 C GLY A 72 -10.506 1.574 -1.149 1.00 0.00 C ATOM 1076 O GLY A 72 -10.541 0.364 -1.367 1.00 0.00 O ATOM 0 H GLY A 72 -11.284 3.931 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.041 1.439 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.224 2.806 -0.722 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.649 2.413 -1.713 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.656 1.943 -2.663 1.00 0.00 C ATOM 1082 C GLU A 73 -7.720 0.933 -1.996 1.00 0.00 C ATOM 1083 O GLU A 73 -7.374 -0.086 -2.592 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.867 3.112 -3.256 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.611 3.729 -4.442 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.760 4.804 -5.124 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.330 5.729 -4.402 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.560 4.675 -6.351 1.00 0.00 O ATOM 0 H GLU A 73 -9.622 3.416 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.174 1.444 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.703 3.870 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.885 2.766 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.865 2.951 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.549 4.166 -4.100 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.337 1.250 -0.768 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.448 0.383 -0.014 1.00 0.00 C ATOM 1097 C TYR A 74 -7.147 -0.925 0.362 1.00 0.00 C ATOM 1098 O TYR A 74 -6.590 -2.006 0.178 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.099 1.147 1.265 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.114 0.414 2.178 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.086 -0.326 1.631 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.253 0.494 3.549 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.158 -1.016 2.490 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.326 -0.196 4.408 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.324 -0.916 3.836 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.448 -1.567 4.648 1.00 0.00 O ATOM 0 H TYR A 74 -7.626 2.096 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.567 0.130 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.677 2.115 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.016 1.344 1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.977 -0.388 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.057 1.074 3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.349 -1.599 2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.424 -0.143 5.482 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.932 -2.222 5.193 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.358 -0.784 0.882 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.139 -1.941 1.286 1.00 0.00 C ATOM 1118 C GLU A 75 -9.025 -3.049 0.238 1.00 0.00 C ATOM 1119 O GLU A 75 -8.494 -4.123 0.519 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.601 -1.559 1.525 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.752 -0.746 2.812 1.00 0.00 C ATOM 1122 CD GLU A 75 -12.009 -1.162 3.579 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -13.081 -1.193 2.937 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.870 -1.440 4.789 1.00 0.00 O ATOM 0 H GLU A 75 -8.817 0.114 1.033 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.738 -2.316 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.972 -0.980 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.211 -2.460 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.874 -0.889 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.803 0.316 2.572 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.533 -2.752 -0.949 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.496 -3.710 -2.041 1.00 0.00 C ATOM 1133 C GLU A 76 -8.097 -4.317 -2.167 1.00 0.00 C ATOM 1134 O GLU A 76 -7.938 -5.535 -2.116 1.00 0.00 O ATOM 1135 CB GLU A 76 -9.932 -3.060 -3.356 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.384 -2.584 -3.277 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.349 -3.771 -3.243 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.234 -4.622 -4.152 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.180 -3.801 -2.310 1.00 0.00 O ATOM 0 H GLU A 76 -9.973 -1.861 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.200 -4.512 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.281 -2.216 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.823 -3.774 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.522 -1.973 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.610 -1.951 -4.135 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.118 -3.438 -2.329 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.738 -3.872 -2.463 1.00 0.00 C ATOM 1148 C ALA A 77 -5.416 -4.881 -1.359 1.00 0.00 C ATOM 1149 O ALA A 77 -4.743 -5.881 -1.603 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.814 -2.653 -2.428 1.00 0.00 C ATOM 0 H ALA A 77 -7.254 -2.428 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.583 -4.371 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.779 -2.978 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.065 -1.982 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.939 -2.129 -1.481 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.911 -4.583 -0.166 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.684 -5.451 0.976 1.00 0.00 C ATOM 1158 C LEU A 78 -6.428 -6.771 0.764 1.00 0.00 C ATOM 1159 O LEU A 78 -5.970 -7.823 1.208 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.060 -4.736 2.276 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.016 -3.767 2.835 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.630 -2.850 3.894 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.797 -4.523 3.368 1.00 0.00 C ATOM 0 H LEU A 78 -6.468 -3.752 0.034 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.625 -5.692 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.986 -4.185 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.270 -5.490 3.035 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.670 -3.131 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.867 -2.172 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.440 -2.272 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.022 -3.452 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.070 -3.811 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.108 -5.199 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.343 -5.098 2.560 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.561 -6.672 0.086 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.373 -7.846 -0.191 1.00 0.00 C ATOM 1177 C LYS A 79 -7.658 -8.723 -1.221 1.00 0.00 C ATOM 1178 O LYS A 79 -7.694 -9.949 -1.128 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.786 -7.434 -0.608 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.556 -6.842 0.574 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.364 -5.616 0.143 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.531 -5.364 1.100 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.722 -4.901 0.354 1.00 0.00 N ATOM 0 H LYS A 79 -7.937 -5.797 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.495 -8.447 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.732 -6.703 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.321 -8.300 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.225 -7.595 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.859 -6.563 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.716 -4.740 0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.744 -5.763 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.768 -6.279 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.246 -4.618 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.199 -4.151 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.429 -4.529 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.376 -5.698 0.215 1.00 0.00 H new ATOM 1197 N MET A 80 -7.026 -8.061 -2.178 1.00 0.00 N ATOM 1198 CA MET A 80 -6.304 -8.765 -3.225 1.00 0.00 C ATOM 1199 C MET A 80 -5.044 -9.431 -2.668 1.00 0.00 C ATOM 1200 O MET A 80 -4.711 -10.552 -3.049 1.00 0.00 O ATOM 1201 CB MET A 80 -5.917 -7.780 -4.329 1.00 0.00 C ATOM 1202 CG MET A 80 -6.007 -8.438 -5.707 1.00 0.00 C ATOM 1203 SD MET A 80 -5.247 -7.390 -6.936 1.00 0.00 S ATOM 1204 CE MET A 80 -3.527 -7.770 -6.646 1.00 0.00 C ATOM 0 H MET A 80 -6.998 -7.044 -2.251 1.00 0.00 H new ATOM 0 HA MET A 80 -6.953 -9.541 -3.631 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.575 -6.911 -4.293 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.902 -7.419 -4.160 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.511 -9.409 -5.688 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.051 -8.618 -5.966 1.00 0.00 H new ATOM 0 HE1 MET A 80 -3.010 -6.875 -6.299 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.449 -8.550 -5.889 1.00 0.00 H new ATOM 0 HE3 MET A 80 -3.070 -8.117 -7.573 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.378 -8.712 -1.777 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.162 -9.220 -1.165 1.00 0.00 C ATOM 1216 C ALA A 81 -3.425 -10.617 -0.599 1.00 0.00 C ATOM 1217 O ALA A 81 -2.574 -11.499 -0.694 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.681 -8.238 -0.094 1.00 0.00 C ATOM 0 H ALA A 81 -4.657 -7.782 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.368 -9.309 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.769 -8.619 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.480 -7.270 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.452 -8.125 0.669 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.608 -10.773 -0.022 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.994 -12.048 0.559 1.00 0.00 C ATOM 1226 C VAL A 82 -4.923 -13.135 -0.515 1.00 0.00 C ATOM 1227 O VAL A 82 -4.444 -14.238 -0.256 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.377 -11.932 1.203 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.829 -13.276 1.776 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.392 -10.844 2.279 1.00 0.00 C ATOM 0 H VAL A 82 -5.311 -10.038 0.055 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.303 -12.331 1.353 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.085 -11.644 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.815 -13.166 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.877 -14.015 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.118 -13.606 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.387 -10.783 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.666 -11.089 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.134 -9.885 1.830 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.408 -12.787 -1.697 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.407 -13.719 -2.811 1.00 0.00 C ATOM 1242 C LYS A 83 -3.965 -14.116 -3.136 1.00 0.00 C ATOM 1243 O LYS A 83 -3.662 -15.299 -3.290 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.166 -13.133 -4.003 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.624 -12.848 -3.637 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.530 -12.961 -4.865 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.274 -11.649 -5.120 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.626 -11.917 -5.660 1.00 0.00 N ATOM 0 H LYS A 83 -5.805 -11.871 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.938 -14.632 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.683 -12.212 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.127 -13.828 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.954 -13.550 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.707 -11.848 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.933 -13.220 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.248 -13.768 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.352 -11.082 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.710 -11.035 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.118 -11.016 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.545 -12.439 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.167 -12.485 -4.976 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.114 -13.105 -3.232 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.712 -13.334 -3.536 1.00 0.00 C ATOM 1264 C GLN A 84 -1.087 -14.263 -2.493 1.00 0.00 C ATOM 1265 O GLN A 84 -0.624 -15.353 -2.825 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.947 -12.011 -3.620 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.752 -10.960 -4.387 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.894 -10.289 -5.462 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.352 -10.928 -6.349 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.801 -8.969 -5.333 1.00 0.00 N ATOM 0 H GLN A 84 -3.369 -12.126 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.646 -13.818 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.731 -11.647 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.011 -12.172 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.621 -11.428 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.127 -10.207 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.280 -8.496 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.250 -8.429 -6.000 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.094 -13.797 -1.252 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.534 -14.573 -0.159 1.00 0.00 C ATOM 1281 C GLY A 85 -0.249 -13.685 1.054 1.00 0.00 C ATOM 1282 O GLY A 85 0.798 -13.810 1.687 1.00 0.00 O ATOM 0 H GLY A 85 -1.479 -12.892 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.227 -15.366 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.387 -15.056 -0.485 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.199 -12.806 1.341 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.062 -11.897 2.466 1.00 0.00 C ATOM 1288 C ASN A 86 0.045 -10.885 2.167 1.00 0.00 C ATOM 1289 O ASN A 86 0.739 -10.433 3.076 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.682 -12.652 3.741 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.595 -13.861 3.956 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.372 -14.940 3.431 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.631 -13.622 4.754 1.00 0.00 N ATOM 0 H ASN A 86 -2.066 -12.704 0.814 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.020 -11.398 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.355 -12.982 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.751 -11.983 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.298 -14.365 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.758 -12.695 5.161 1.00 0.00 H new ATOM 1300 N GLN A 87 0.177 -10.559 0.890 1.00 0.00 N ATOM 1301 CA GLN A 87 1.188 -9.609 0.460 1.00 0.00 C ATOM 1302 C GLN A 87 0.686 -8.806 -0.742 1.00 0.00 C ATOM 1303 O GLN A 87 -0.192 -9.261 -1.473 1.00 0.00 O ATOM 1304 CB GLN A 87 2.504 -10.319 0.133 1.00 0.00 C ATOM 1305 CG GLN A 87 2.348 -11.229 -1.087 1.00 0.00 C ATOM 1306 CD GLN A 87 2.633 -10.466 -2.381 1.00 0.00 C ATOM 1307 OE1 GLN A 87 2.669 -9.247 -2.418 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.835 -11.248 -3.438 1.00 0.00 N ATOM 0 H GLN A 87 -0.400 -10.936 0.138 1.00 0.00 H new ATOM 0 HA GLN A 87 1.380 -8.917 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.282 -9.580 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.827 -10.908 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.029 -12.076 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.337 -11.635 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.791 -12.262 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.034 -10.833 -4.348 1.00 0.00 H new ATOM 1317 N LEU A 88 1.264 -7.626 -0.908 1.00 0.00 N ATOM 1318 CA LEU A 88 0.886 -6.755 -2.008 1.00 0.00 C ATOM 1319 C LEU A 88 2.134 -6.057 -2.553 1.00 0.00 C ATOM 1320 O LEU A 88 2.985 -5.610 -1.785 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.217 -5.789 -1.572 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.925 -5.028 -2.695 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.493 -5.992 -3.737 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.998 -4.094 -2.132 1.00 0.00 C ATOM 0 H LEU A 88 1.992 -7.252 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 88 0.463 -7.338 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.965 -6.351 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.215 -5.062 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.189 -4.404 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.991 -5.425 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.683 -6.579 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.211 -6.660 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.486 -3.565 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.738 -4.678 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.535 -3.372 -1.459 1.00 0.00 H new ATOM 1336 N GLN A 89 2.204 -5.986 -3.874 1.00 0.00 N ATOM 1337 CA GLN A 89 3.334 -5.350 -4.530 1.00 0.00 C ATOM 1338 C GLN A 89 3.032 -3.874 -4.795 1.00 0.00 C ATOM 1339 O GLN A 89 2.356 -3.539 -5.766 1.00 0.00 O ATOM 1340 CB GLN A 89 3.694 -6.077 -5.827 1.00 0.00 C ATOM 1341 CG GLN A 89 4.731 -7.173 -5.572 1.00 0.00 C ATOM 1342 CD GLN A 89 4.059 -8.538 -5.416 1.00 0.00 C ATOM 1343 OE1 GLN A 89 4.158 -9.195 -4.393 1.00 0.00 O ATOM 1344 NE2 GLN A 89 3.371 -8.928 -6.486 1.00 0.00 N ATOM 0 H GLN A 89 1.497 -6.358 -4.508 1.00 0.00 H new ATOM 0 HA GLN A 89 4.196 -5.411 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.796 -6.515 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.085 -5.363 -6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.441 -7.206 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.299 -6.939 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.328 -8.330 -7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.886 -9.825 -6.481 1.00 0.00 H new ATOM 1353 N MET A 90 3.548 -3.030 -3.913 1.00 0.00 N ATOM 1354 CA MET A 90 3.342 -1.597 -4.039 1.00 0.00 C ATOM 1355 C MET A 90 4.622 -0.898 -4.500 1.00 0.00 C ATOM 1356 O MET A 90 5.725 -1.352 -4.198 1.00 0.00 O ATOM 1357 CB MET A 90 2.905 -1.024 -2.689 1.00 0.00 C ATOM 1358 CG MET A 90 1.632 -1.710 -2.188 1.00 0.00 C ATOM 1359 SD MET A 90 1.477 -1.494 -0.423 1.00 0.00 S ATOM 1360 CE MET A 90 0.177 -0.272 -0.374 1.00 0.00 C ATOM 0 H MET A 90 4.108 -3.311 -3.108 1.00 0.00 H new ATOM 0 HA MET A 90 2.567 -1.424 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.704 -1.154 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.731 0.048 -2.784 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.761 -1.291 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.661 -2.772 -2.432 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.593 0.690 -0.075 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.274 -0.181 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.583 -0.578 0.345 1.00 0.00 H new ATOM 1370 N GLN A 91 4.433 0.195 -5.225 1.00 0.00 N ATOM 1371 CA GLN A 91 5.559 0.961 -5.731 1.00 0.00 C ATOM 1372 C GLN A 91 5.396 2.441 -5.377 1.00 0.00 C ATOM 1373 O GLN A 91 4.400 3.064 -5.741 1.00 0.00 O ATOM 1374 CB GLN A 91 5.716 0.773 -7.241 1.00 0.00 C ATOM 1375 CG GLN A 91 6.415 -0.550 -7.559 1.00 0.00 C ATOM 1376 CD GLN A 91 6.472 -0.791 -9.069 1.00 0.00 C ATOM 1377 OE1 GLN A 91 7.334 -0.289 -9.772 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.508 -1.585 -9.527 1.00 0.00 N ATOM 0 H GLN A 91 3.517 0.568 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 91 6.468 0.591 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.736 0.794 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.290 1.601 -7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.426 -0.539 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.885 -1.371 -7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.818 -1.972 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.459 -1.807 -10.521 1.00 0.00 H new ATOM 1387 N VAL A 92 6.390 2.960 -4.671 1.00 0.00 N ATOM 1388 CA VAL A 92 6.369 4.355 -4.263 1.00 0.00 C ATOM 1389 C VAL A 92 6.615 5.242 -5.485 1.00 0.00 C ATOM 1390 O VAL A 92 7.481 4.947 -6.307 1.00 0.00 O ATOM 1391 CB VAL A 92 7.384 4.587 -3.142 1.00 0.00 C ATOM 1392 CG1 VAL A 92 8.042 5.962 -3.274 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.730 4.423 -1.768 1.00 0.00 C ATOM 0 H VAL A 92 7.215 2.440 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 92 5.392 4.621 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 92 8.164 3.831 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.759 6.101 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.558 6.028 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.278 6.738 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.473 4.593 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.921 5.145 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.330 3.413 -1.674 1.00 0.00 H new ATOM 1403 N HIS A 93 5.837 6.312 -5.566 1.00 0.00 N ATOM 1404 CA HIS A 93 5.959 7.244 -6.674 1.00 0.00 C ATOM 1405 C HIS A 93 5.950 8.678 -6.141 1.00 0.00 C ATOM 1406 O HIS A 93 4.892 9.293 -6.021 1.00 0.00 O ATOM 1407 CB HIS A 93 4.870 6.993 -7.718 1.00 0.00 C ATOM 1408 CG HIS A 93 4.963 5.644 -8.390 1.00 0.00 C ATOM 1409 ND1 HIS A 93 4.306 4.475 -8.137 1.00 0.00 N flip ATOM 1410 CD2 HIS A 93 5.812 5.393 -9.454 1.00 0.00 C flip ATOM 1411 CE1 HIS A 93 4.729 3.561 -9.001 1.00 0.00 C flip ATOM 1412 NE2 HIS A 93 5.663 4.127 -9.818 1.00 0.00 N flip ATOM 0 H HIS A 93 5.120 6.554 -4.882 1.00 0.00 H new ATOM 0 HA HIS A 93 6.911 7.088 -7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.895 7.083 -7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.924 7.771 -8.479 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.482 6.107 -9.910 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.389 2.537 -9.049 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.160 3.659 -10.576 1.00 0.00 H new ATOM 1420 N GLU A 94 7.142 9.170 -5.835 1.00 0.00 N ATOM 1421 CA GLU A 94 7.285 10.520 -5.317 1.00 0.00 C ATOM 1422 C GLU A 94 6.376 11.481 -6.086 1.00 0.00 C ATOM 1423 O GLU A 94 6.217 11.355 -7.299 1.00 0.00 O ATOM 1424 CB GLU A 94 8.743 10.979 -5.377 1.00 0.00 C ATOM 1425 CG GLU A 94 9.217 11.477 -4.010 1.00 0.00 C ATOM 1426 CD GLU A 94 9.080 12.997 -3.902 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.290 13.661 -4.940 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.767 13.460 -2.784 1.00 0.00 O ATOM 0 H GLU A 94 8.018 8.657 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 94 6.981 10.521 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.375 10.154 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.848 11.775 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.634 10.999 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.257 11.190 -3.855 1.00 0.00 H new ATOM 1435 N GLY A 95 5.803 12.421 -5.347 1.00 0.00 N ATOM 1436 CA GLY A 95 4.914 13.403 -5.944 1.00 0.00 C ATOM 1437 C GLY A 95 5.698 14.614 -6.454 1.00 0.00 C ATOM 1438 O GLY A 95 6.488 14.498 -7.390 1.00 0.00 O ATOM 0 H GLY A 95 5.937 12.523 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.364 12.948 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.177 13.726 -5.209 1.00 0.00 H new ATOM 1442 N SER A 96 5.453 15.749 -5.815 1.00 0.00 N ATOM 1443 CA SER A 96 6.127 16.980 -6.192 1.00 0.00 C ATOM 1444 C SER A 96 6.094 17.150 -7.712 1.00 0.00 C ATOM 1445 O SER A 96 7.067 16.837 -8.396 1.00 0.00 O ATOM 1446 CB SER A 96 7.571 16.995 -5.687 1.00 0.00 C ATOM 1447 OG SER A 96 8.255 18.187 -6.063 1.00 0.00 O ATOM 0 H SER A 96 4.797 15.842 -5.039 1.00 0.00 H new ATOM 0 HA SER A 96 5.600 17.814 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.576 16.901 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.103 16.131 -6.084 1.00 0.00 H new ATOM 0 HG SER A 96 9.173 18.159 -5.721 1.00 0.00 H new ATOM 1453 N GLY A 97 4.965 17.646 -8.196 1.00 0.00 N ATOM 1454 CA GLY A 97 4.793 17.861 -9.623 1.00 0.00 C ATOM 1455 C GLY A 97 3.565 18.730 -9.903 1.00 0.00 C ATOM 1456 O GLY A 97 3.696 19.885 -10.305 1.00 0.00 O ATOM 0 H GLY A 97 4.160 17.905 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.683 18.340 -10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.687 16.901 -10.129 1.00 0.00 H new ATOM 1460 N PRO A 98 2.369 18.125 -9.672 1.00 0.00 N ATOM 1461 CA PRO A 98 1.118 18.830 -9.894 1.00 0.00 C ATOM 1462 C PRO A 98 0.857 19.848 -8.782 1.00 0.00 C ATOM 1463 O PRO A 98 0.941 19.517 -7.601 1.00 0.00 O ATOM 1464 CB PRO A 98 0.060 17.742 -9.964 1.00 0.00 C ATOM 1465 CG PRO A 98 0.681 16.514 -9.318 1.00 0.00 C ATOM 1466 CD PRO A 98 2.176 16.759 -9.195 1.00 0.00 C ATOM 0 HA PRO A 98 1.125 19.420 -10.811 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -0.846 18.044 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.223 17.539 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.241 16.335 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 98 0.488 15.626 -9.921 1.00 0.00 H new ATOM 0 HD2 PRO A 98 2.512 16.649 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.744 16.047 -9.793 1.00 0.00 H new ATOM 1474 N SER A 99 0.547 21.067 -9.200 1.00 0.00 N ATOM 1475 CA SER A 99 0.273 22.135 -8.254 1.00 0.00 C ATOM 1476 C SER A 99 1.494 22.369 -7.361 1.00 0.00 C ATOM 1477 O SER A 99 2.366 21.507 -7.258 1.00 0.00 O ATOM 1478 CB SER A 99 -0.955 21.813 -7.400 1.00 0.00 C ATOM 1479 OG SER A 99 -2.158 22.292 -7.994 1.00 0.00 O ATOM 0 H SER A 99 0.480 21.338 -10.181 1.00 0.00 H new ATOM 0 HA SER A 99 0.062 23.044 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.025 20.735 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.836 22.258 -6.412 1.00 0.00 H new ATOM 0 HG SER A 99 -2.919 22.065 -7.420 1.00 0.00 H new ATOM 1485 N SER A 100 1.517 23.538 -6.739 1.00 0.00 N ATOM 1486 CA SER A 100 2.616 23.896 -5.859 1.00 0.00 C ATOM 1487 C SER A 100 3.920 23.975 -6.655 1.00 0.00 C ATOM 1488 O SER A 100 4.200 23.107 -7.481 1.00 0.00 O ATOM 1489 CB SER A 100 2.753 22.892 -4.713 1.00 0.00 C ATOM 1490 OG SER A 100 3.897 23.156 -3.905 1.00 0.00 O ATOM 0 H SER A 100 0.792 24.250 -6.827 1.00 0.00 H new ATOM 0 HA SER A 100 2.403 24.873 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.857 22.924 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.822 21.884 -5.121 1.00 0.00 H new ATOM 0 HG SER A 100 3.948 22.494 -3.184 1.00 0.00 H new ATOM 1496 N GLY A 101 4.682 25.022 -6.379 1.00 0.00 N ATOM 1497 CA GLY A 101 5.950 25.226 -7.059 1.00 0.00 C ATOM 1498 C GLY A 101 5.754 25.296 -8.575 1.00 0.00 C ATOM 1499 O GLY A 101 6.723 25.269 -9.332 1.00 0.00 O ATOM 0 H GLY A 101 4.446 25.739 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.412 26.148 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.633 24.413 -6.814 1.00 0.00 H new TER 1503 GLY A 101